#DEFINITION	Reference Metabolome for Raphanus sativus
#IDENTTFIER	RefMeta-Raphanus sativus.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Raphanus sativus
#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 Raphanus sativus was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08157	100.0
81.21951	45.2
106.27565	43.1
118.95813	55.0
207.72862	52.8
535.09192	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.232
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	3.7
71.60112	1.2
73.02944	2.6
77.44460	1.0
83.01405	1.6
84.54185	1.2
85.02930	1.4
99.35828	0.9
101.02441	1.0
107.01424	1.5
117.03501	1.6
127.03996	1.8
133.02966	19.6
135.04541	12.7
141.82370	1.1
145.05115	3.1
151.00377	3.7
161.02460	68.8
162.02795	2.9
177.05602	3.7
179.03523	16.6
214.02646	1.3
217.45444	1.1
221.04562	7.1
226.18733	1.0
227.03520	27.9
228.03746	1.4
229.05234	1.2
251.05644	4.0
255.02988	47.5
256.03604	6.9
257.04352	1.8
281.06793	6.8
283.02475	1.6
284.03262	51.5
285.04053	100.0
286.04361	7.1
294.57239	1.0
313.03503	1.2
314.03912	1.6
315.05096	1.3
323.07742	3.7
327.05219	1.8
421.10831	1.1
447.09372	39.6
448.09726	4.3
469.13516	62.4
470.13605	5.4
527.45410	1.2
623.16052	1.5
624.16522	3.8
631.18927	3.5
669.35175	1.1
755.18323	89.7
756.18439	13.4
889.61884	1.2
911.47241	1.0
917.23749	18.2
918.23572	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	991.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	2.1
71.59683	1.2
71.60090	0.9
73.02935	4.2
85.02962	1.9
85.38162	0.7
87.32698	0.7
88.98813	29.3
101.02447	2.2
107.01368	2.2
117.03462	1.5
123.72797	0.8
124.84617	0.7
127.04028	1.8
132.02194	1.0
133.02956	23.9
134.03471	0.8
135.04520	13.8
145.05086	3.2
149.06024	1.3
151.00359	1.9
159.04457	1.0
161.02448	81.5
162.02791	2.7
177.05586	3.2
179.03497	18.0
185.06062	0.9
187.03914	0.8
191.79086	0.8
211.03828	1.1
221.04533	8.9
221.19986	0.7
227.03506	29.8
228.03821	1.9
229.05083	2.0
236.25687	1.0
251.05634	4.5
255.02997	48.7
256.03656	5.0
281.06635	7.1
283.02441	1.6
284.03259	46.0
285.04044	100.0
286.04492	5.1
323.07654	3.2
431.09818	30.5
432.10074	3.1
469.13522	76.6
470.13730	6.2
602.17853	0.9
615.19635	2.8
731.10742	0.9
755.18304	70.8
756.18579	8.9
901.24091	45.9
902.24359	7.6
999.80005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14568	4.5
70.81332	4.3
71.01393	7.7
87.00894	4.9
89.02438	10.2
99.00877	5.4
101.02434	9.6
113.02451	5.3
163.26601	4.4
171.10260	14.3
179.05623	5.5
225.11411	8.1
249.18605	11.1
277.21710	100.0
278.22028	9.0
379.12570	16.4
397.13565	47.0
399.12241	4.9
415.14691	8.9
675.36688	7.1
721.14703	4.9
971.56250	35.0
972.56744	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	976.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82362	100.0
85.88112	42.5
114.81352	64.3
146.34781	58.4
195.96567	55.9
463.68600	48.9
494.02197	52.8
563.47919	59.2
684.20905	57.8
769.73737	54.6
772.04822	54.0
969.12128	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36791	0.6
75.58001	0.3
88.98811	0.4
93.03466	0.5
105.58215	0.3
107.01402	0.6
111.90735	0.3
145.17714	0.4
150.06464	0.3
151.00360	1.6
160.01692	1.2
169.06725	0.4
171.04460	0.4
175.04021	1.4
185.06062	0.7
187.03853	0.4
193.05069	0.7
215.03540	0.4
217.04958	0.4
227.03502	19.7
228.03966	1.2
229.05034	1.1
239.03215	0.4
255.02988	29.4
256.03632	3.2
257.04498	0.6
283.02536	1.9
284.03271	33.3
285.04047	100.0
286.04434	6.3
327.05084	0.6
431.09833	64.3
432.10175	5.4
483.15219	3.2
769.19879	11.1
770.20587	1.6
897.07312	0.4
915.25446	4.5
916.26099	1.0
986.84656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.5387
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43171	100.0
69.43599	73.9
161.86119	25.4
184.60825	25.6
195.45117	21.3
222.41629	24.1
222.43896	24.3
241.69682	22.3
283.71317	27.5
315.50854	28.3
376.37473	27.3
412.84186	21.6
465.42236	24.5
806.02515	22.7
890.28668	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	966.6599
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48467	12.8
81.03467	1.9
83.05018	3.9
96.96011	14.5
105.27541	1.9
128.03606	2.7
143.04602	4.0
205.37202	1.7
206.81465	2.0
225.16003	2.6
306.07495	5.7
329.03476	1.7
401.02963	2.5
905.66876	7.6
906.67145	25.2
966.66077	100.0
967.66235	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48760	1.6
71.01385	7.3
78.59052	0.2
80.42162	0.2
81.93131	0.2
83.05015	0.5
85.02936	0.3
91.70228	0.2
101.58221	0.2
111.00876	0.3
114.99649	0.4
115.00382	5.0
116.05077	0.7
129.95036	0.2
130.08685	0.3
133.01436	4.6
134.03728	0.5
145.02954	0.5
146.03723	1.1
147.04431	0.3
148.05325	0.5
158.03745	3.9
158.06056	0.2
159.04526	8.5
160.05165	0.2
172.05321	1.5
172.07672	0.3
173.06065	4.7
174.03183	0.4
174.06839	2.4
175.07668	2.2
185.09769	0.3
186.06831	0.3
187.04086	2.3
187.07648	22.8
188.08234	0.5
198.06946	0.3
199.07332	0.3
200.04807	0.3
201.05586	1.4
201.09172	0.5
202.06364	5.2
203.06885	0.5
203.10777	6.3
204.11125	0.3
213.09195	1.1
215.07063	0.4
216.07895	0.6
217.09164	0.2
226.02138	0.3
231.06883	1.2
231.10265	10.5
232.10660	0.4
255.02921	0.4
275.09256	100.0
276.09576	6.0
283.02536	0.6
285.04044	0.9
288.08792	1.4
313.77255	0.2
348.10849	0.9
389.12460	0.4
391.10468	2.1
391.19928	1.4
392.10709	0.3
426.53754	0.2
430.09354	0.3
431.09653	0.3
443.76669	0.3
577.15704	1.0
658.88721	0.2
839.63739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01063	0.7
71.01395	4.7
71.31541	1.1
73.02962	4.6
83.01391	1.2
85.02951	2.4
89.02464	0.6
89.08978	0.6
95.01411	0.6
96.96033	0.7
101.02449	2.0
107.01435	0.7
109.03000	1.3
114.55576	0.6
115.00397	1.3
117.03446	1.5
127.03988	2.3
132.02153	1.1
133.01425	1.5
133.02966	26.7
134.03735	1.7
135.04543	13.6
143.04718	0.8
145.05063	3.4
147.10854	0.6
149.02452	0.6
149.06180	1.3
151.00386	2.4
161.02458	86.7
162.02885	3.0
169.06602	1.1
171.04465	0.9
177.05629	3.1
179.03497	19.9
180.03868	1.0
192.17667	0.7
203.03485	0.9
211.03888	0.8
221.04536	7.6
227.03508	28.8
228.03920	2.2
229.05058	1.5
243.03055	1.1
251.05643	3.5
255.03004	37.9
256.03656	5.8
257.04520	1.3
281.06656	7.9
283.02383	1.0
284.03287	39.9
285.04062	69.6
286.04425	4.2
323.07727	4.2
341.08975	1.3
431.09824	28.6
432.10150	2.6
447.09692	1.0
469.13531	100.0
470.13791	8.0
524.92249	0.6
615.19330	1.1
755.18365	42.3
756.18628	6.3
901.24084	21.0
902.24231	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	964.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26923	1.4
69.27330	4.8
71.01391	3.6
73.02949	6.0
83.01400	1.8
85.02953	0.9
89.02459	0.7
98.19819	1.4
101.02455	2.3
107.01383	1.7
117.03487	1.5
127.03988	2.0
132.02225	0.8
133.02966	23.6
134.03752	0.8
135.04543	16.0
137.02457	1.0
145.05045	3.3
149.06064	1.0
151.00391	2.5
161.02454	90.5
162.02779	3.2
162.40102	0.6
163.00346	1.4
171.04431	0.8
177.05592	3.7
178.99892	0.9
179.03490	19.6
185.06165	1.3
187.03772	0.8
190.99928	0.7
197.06021	0.7
201.05453	0.9
213.05522	0.9
221.04572	7.3
227.03499	34.8
228.03889	1.4
229.05054	2.2
241.05074	1.1
251.05669	4.5
255.02998	49.2
256.03546	5.5
257.04483	1.9
280.93134	0.6
281.06735	6.9
283.02438	2.0
284.03275	50.1
285.04056	100.0
286.04434	6.1
301.86301	0.7
322.39972	0.9
323.07794	4.5
341.08881	0.7
407.64178	0.7
431.09836	29.9
432.10049	2.3
469.13525	69.2
470.13751	5.7
615.19824	1.1
708.35602	0.7
755.18304	48.1
756.18597	8.2
901.24109	33.2
901.41943	1.1
902.24384	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	964.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63525	0.4
76.55560	0.4
83.01392	0.6
86.90552	0.4
93.03466	0.9
95.05717	0.4
96.96029	0.5
107.01414	0.5
109.59170	0.5
151.00357	1.8
160.01656	1.2
161.02391	1.2
163.00348	0.5
175.04053	1.0
178.99796	0.5
185.06128	0.8
187.03975	0.7
201.63609	0.4
227.03494	19.3
228.03925	0.9
239.03506	0.5
255.02991	28.9
256.03659	4.1
257.04459	0.6
283.02469	2.9
284.03265	35.8
285.04047	100.0
286.04440	6.7
327.05042	0.8
417.08279	62.2
418.08646	6.1
431.09601	0.8
440.78619	0.4
469.13550	0.7
483.15155	4.0
648.41028	0.4
735.16522	0.5
745.31122	0.7
755.18286	0.8
769.19867	13.5
770.20221	1.7
901.25092	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	963.6872
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16717	1.4
74.65643	0.3
79.08340	0.3
81.03461	6.2
83.05033	15.9
96.96026	1.7
102.37433	0.3
107.45525	0.3
108.04558	0.4
109.60430	0.3
125.07190	0.8
126.05576	0.4
193.64900	0.3
199.18083	0.4
207.15024	1.3
220.47182	0.3
224.17657	2.3
225.16090	10.1
242.18866	0.4
306.07794	0.4
309.21851	0.8
333.22858	0.6
341.29169	1.1
367.27249	0.8
401.02859	0.4
433.32010	1.7
450.34290	0.9
451.32895	8.8
452.33258	0.8
550.43317	0.8
567.45819	0.5
676.50861	0.4
677.49902	1.7
776.60516	0.5
885.65942	0.4
903.66547	100.0
904.66852	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.298
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73456	0.3
70.73801	0.2
71.01385	10.3
71.91656	0.2
72.99306	1.9
74.54589	0.2
76.70592	0.1
80.83696	0.1
87.00880	0.4
89.02447	1.3
92.65408	0.1
111.00892	0.2
115.00380	32.8
116.00725	0.7
119.05034	23.7
120.05368	0.6
122.94277	0.1
133.01439	100.0
134.01767	1.9
145.02972	0.2
163.04015	29.0
164.04344	1.1
183.67267	0.2
191.07204	0.2
203.68611	0.1
225.93349	0.2
235.83685	0.1
279.05090	4.4
280.05576	0.2
303.37769	0.2
728.67639	0.2
813.91907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70348	0.3
69.84850	0.6
69.85238	0.9
71.01389	3.2
73.02961	0.9
85.02958	0.7
87.00877	0.8
89.02460	2.1
95.01379	0.4
101.02458	1.9
109.06577	0.9
113.02452	1.2
116.92860	0.5
119.03492	0.9
125.02431	0.7
125.09730	1.1
127.07672	3.5
127.11265	1.4
139.11362	0.3
143.03537	0.5
155.10789	0.5
157.68382	0.3
165.09233	0.4
171.10300	1.8
179.05692	0.5
179.14349	0.4
183.13901	14.9
184.14302	0.8
195.12233	0.3
195.13911	1.0
199.09831	0.6
201.11328	12.2
202.66641	0.3
211.13432	1.9
212.13733	0.6
213.14975	4.8
223.13409	1.3
235.08138	1.2
241.14482	4.7
242.14793	0.6
249.18623	5.4
275.19962	1.6
291.19678	0.6
292.20355	0.7
293.21246	4.7
294.21753	0.3
305.08936	0.4
309.17270	0.6
309.20718	0.9
310.20908	0.8
311.22287	100.0
312.22653	7.5
397.13498	9.8
398.13739	0.8
415.14700	3.0
416.14880	0.6
493.10895	0.4
552.96106	0.4
647.32843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.7
69.03461	2.9
71.01383	15.0
72.99305	1.1
73.02944	2.1
81.03440	1.5
82.68423	0.5
83.01398	2.8
83.05000	1.5
85.02950	5.1
87.00867	3.6
89.02444	13.6
91.03981	0.5
92.65012	0.5
95.01407	2.3
95.05011	0.6
97.02953	19.7
97.06599	1.1
99.00887	3.4
101.02450	13.8
109.06580	0.8
111.00873	0.7
111.08143	1.7
113.02461	5.8
117.31018	0.5
119.03502	4.1
119.08677	2.4
123.00836	0.7
125.02454	5.3
125.09722	1.4
131.03508	0.7
133.01329	0.7
134.03729	0.8
135.08104	0.7
137.05986	0.5
137.09723	9.2
139.04015	0.7
143.03485	2.8
151.04018	8.6
151.07654	19.9
152.08444	12.7
153.09125	1.0
155.10675	0.6
161.04533	4.8
162.10477	0.5
163.11253	0.6
165.09251	0.7
165.12868	1.3
171.10275	16.0
172.10652	0.5
175.07715	0.6
177.12814	0.8
179.05621	2.9
181.12399	0.5
183.13939	0.6
184.07451	3.1
185.11806	2.5
190.09991	2.0
193.05051	2.4
193.08659	1.4
193.16031	0.6
195.13918	1.1
197.11821	2.0
201.11386	0.6
205.19550	0.6
208.11000	1.5
209.15477	24.9
210.15779	1.3
211.13416	3.5
219.17549	0.7
221.06573	0.6
221.11792	1.6
223.13379	0.7
229.78394	0.6
235.08237	6.1
239.12822	1.4
247.16943	1.8
247.20735	2.2
249.18600	35.9
250.18938	2.4
251.16147	0.6
252.10013	3.2
253.09319	3.2
257.04874	0.5
261.57629	0.5
265.18079	4.8
265.20688	0.7
273.18698	1.4
277.09247	0.8
287.07718	2.1
291.16199	1.7
291.19647	22.7
292.20023	1.5
305.08810	3.0
309.17093	41.3
309.20718	100.0
310.17432	2.4
310.21066	6.8
323.09866	0.8
329.57922	0.5
344.73224	0.5
397.13495	72.1
398.13815	3.9
415.14569	24.3
416.14984	0.6
647.32806	4.6
791.31561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.6389
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	1.3
71.60119	0.1
79.21590	0.1
79.95738	0.8
80.96510	0.1
81.03467	0.1
83.05025	0.5
85.02972	0.1
89.02462	0.3
91.04000	0.7
93.41253	0.1
95.95257	0.4
96.96017	1.0
115.00378	4.6
128.03531	0.2
133.02979	0.1
135.08163	0.1
137.09731	2.9
138.10088	0.1
143.04584	0.2
144.01250	0.1
155.10791	100.0
156.11111	3.4
161.02483	0.5
181.08720	1.2
199.09772	2.3
225.16121	0.2
255.03117	0.1
271.97266	0.3
272.09048	0.1
273.13446	51.5
274.02203	1.4
274.13788	2.7
285.04114	0.4
306.07559	0.2
451.33145	0.1
539.13080	0.3
545.23334	0.1
602.29785	0.1
677.49738	3.4
678.49957	0.6
891.50006	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	949.6109
Annotation	Unknow
Peak:m/z	Relative Intensity
67.91123	1.0
69.46645	5.9
71.01391	13.6
71.77524	0.9
72.66310	1.1
72.99315	1.4
73.02952	1.8
79.95267	1.0
83.01392	1.0
85.02951	2.9
86.97905	1.0
87.00859	2.0
89.02452	13.6
97.02961	2.6
98.20730	1.4
99.58699	0.9
101.02447	13.2
105.10390	1.2
108.41367	1.0
113.02445	5.5
113.09718	1.6
115.00370	2.3
119.03503	3.8
125.02476	4.7
133.01436	9.1
135.04529	3.0
143.03481	2.1
161.04576	2.5
179.03453	2.7
179.05681	1.6
195.13913	15.4
197.79361	1.1
209.62717	1.1
235.08162	5.9
238.04588	1.2
255.23297	34.9
256.23639	2.0
277.21707	13.7
287.07513	1.6
295.22794	100.0
296.23178	6.3
305.08798	1.2
378.43646	1.0
397.13528	63.3
398.13632	4.0
411.31076	1.0
413.75861	1.0
415.14581	21.8
416.14767	1.8
520.24390	1.0
653.37195	6.6
773.28473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70097	1.0
71.01373	3.0
73.02942	3.8
78.24241	1.4
78.45335	0.9
81.01781	0.9
85.02967	2.6
96.96004	1.8
101.02448	2.0
107.01375	2.8
111.11895	1.1
117.03608	1.0
127.04034	2.4
133.02972	21.0
135.04539	13.8
137.02455	1.5
145.05086	3.2
151.00359	3.5
161.02454	74.3
162.02762	2.8
163.00351	1.1
164.53127	1.0
175.03958	1.1
177.05544	3.2
179.03510	16.5
185.44110	1.0
210.01501	1.0
217.06946	1.1
221.04494	4.6
227.03493	31.4
228.03827	2.0
251.05592	4.2
255.03015	35.3
256.03665	6.0
257.04526	1.5
258.83548	1.0
281.06644	7.7
283.02478	1.6
284.03271	49.3
285.04044	100.0
286.04471	6.6
323.07568	3.5
327.05368	1.2
380.90472	1.1
417.08282	40.4
418.08472	3.8
459.91623	1.4
469.13492	73.4
470.13712	6.0
499.78397	1.2
535.03204	1.1
601.17444	3.5
675.84589	1.3
755.18268	83.9
756.18585	11.3
765.80286	1.3
887.22711	12.9
888.23633	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	949.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25652	0.4
70.25990	1.5
70.64905	0.4
71.01377	1.0
83.01411	0.5
85.02952	0.4
98.20544	0.6
101.02428	0.6
101.41046	0.4
107.01409	1.0
115.00380	0.8
123.74306	0.4
133.01408	1.6
136.59647	0.4
149.02449	0.6
151.00392	3.7
157.35545	0.5
163.00352	0.5
165.01936	0.7
178.99910	1.2
180.06747	0.6
185.06133	0.7
187.04005	1.0
190.99904	0.5
193.01402	0.8
193.05064	0.7
199.04010	1.1
201.05594	0.6
203.03372	0.4
211.03932	0.8
212.45309	0.5
223.06067	1.0
227.03529	1.9
229.05037	1.0
230.47937	0.4
243.02951	1.5
249.99968	0.5
255.02980	5.9
256.03513	1.0
269.10403	0.7
271.02484	24.5
272.02914	1.4
280.27713	0.4
283.02505	5.8
284.03284	2.0
285.04071	4.8
299.01984	47.4
300.02567	6.2
301.03549	37.4
302.03864	2.7
355.07971	0.5
430.09088	1.7
431.09851	1.0
446.08569	15.5
447.09286	14.2
448.09439	1.2
593.15143	100.0
594.15466	13.3
631.70197	0.5
951.07935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5955
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03469	1.2
71.01389	21.3
72.99305	1.9
73.02939	3.7
81.03465	0.8
83.01392	2.9
85.02956	5.0
87.00884	4.9
89.02448	21.2
95.01415	1.2
97.02956	4.7
98.20601	2.1
99.00888	1.0
101.02451	16.7
109.03017	0.6
111.04493	1.0
113.02455	9.0
113.09736	5.8
119.03519	6.8
121.10207	0.5
125.02462	8.7
131.03523	0.8
133.01431	0.5
133.05083	0.9
139.04057	0.6
139.11285	0.7
141.02002	0.7
143.03499	3.2
161.04601	4.1
167.10826	0.9
171.10306	1.4
179.05620	4.9
179.10730	0.7
185.04477	0.6
195.13922	1.0
217.07124	0.5
220.14694	0.7
221.06612	1.2
221.15437	2.1
235.08234	9.9
236.08475	0.5
236.10503	2.1
249.22156	1.0
253.09344	1.3
255.23300	57.0
256.23611	3.0
275.20306	1.3
277.21500	0.6
287.07761	3.0
293.17868	2.1
293.21225	36.0
294.21631	2.2
305.08817	3.8
319.32758	0.5
323.09799	1.3
379.12390	0.7
380.37607	0.5
397.13516	100.0
398.13855	5.8
415.14581	28.6
416.14728	2.3
448.34204	0.6
472.80212	0.6
571.01001	0.5
653.37469	7.2
654.38318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87862	0.5
69.80256	1.8
71.01385	0.4
78.95908	56.6
80.96519	0.4
96.96034	0.5
96.96976	7.0
116.51585	0.3
150.98032	1.7
152.99596	100.0
153.99904	1.2
171.00635	3.8
200.65132	0.3
227.75050	0.4
277.21686	0.8
404.13492	0.4
415.14847	0.4
431.22034	36.4
432.22275	4.1
956.17206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02930	0.3
83.01365	0.6
93.03493	0.7
93.98515	0.3
107.01395	0.8
109.02927	0.5
115.00370	0.3
117.03478	0.4
125.02477	0.7
133.01372	0.5
135.00868	0.3
143.05022	0.4
148.80225	0.3
148.93806	0.3
149.02420	0.4
151.00420	1.9
153.01945	0.6
154.04208	0.3
157.06436	0.3
159.04506	0.7
169.06606	0.3
171.04561	0.8
175.00412	0.6
183.04559	0.8
185.06085	0.6
187.03932	0.7
190.02757	1.5
191.03351	0.4
193.83638	0.3
195.04471	0.5
203.39235	0.3
205.05064	1.3
211.04004	1.1
213.05667	0.4
214.02655	0.4
215.03674	0.4
227.03497	34.1
228.03931	2.4
229.05043	1.1
239.03508	0.6
242.96217	0.3
243.03030	0.5
255.02992	44.2
256.03598	6.2
257.04504	0.9
269.04565	0.4
283.02499	4.7
283.05673	0.6
284.03271	51.3
285.04041	100.0
286.04422	6.8
299.05707	0.4
320.03699	0.3
327.05121	0.8
367.09918	0.4
431.09827	87.5
432.10165	7.8
513.16138	3.5
556.54181	0.4
799.20966	2.6
945.27155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35920	30.2
69.36327	8.8
71.01378	17.8
73.02949	6.0
80.75243	5.5
85.02950	4.4
87.00873	6.9
89.02428	9.7
97.02964	11.9
99.00888	25.9
101.02447	11.8
113.02477	5.7
115.42505	5.2
116.92898	5.8
125.02438	5.7
125.09689	3.9
142.71158	4.4
163.11273	9.1
181.12355	22.5
182.13933	4.5
207.10277	61.4
208.10623	5.5
225.11320	83.8
226.11577	4.5
243.12392	38.0
277.21722	53.8
278.21991	7.5
301.85959	4.1
397.13513	5.5
478.90692	4.1
605.24652	27.9
606.25116	6.7
623.25433	33.2
883.47070	100.0
884.47150	21.6
911.70892	5.2
935.31958	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	942.507
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01723	100.0
187.19894	41.1
200.46588	39.8
200.82666	46.8
247.28383	44.2
370.55750	54.3
386.04022	49.6
577.34344	43.2
715.94312	49.2
743.55438	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	10.5
71.60017	0.9
72.99284	1.3
73.02950	3.9
75.00882	3.5
83.01395	3.1
85.02945	9.5
87.00871	1.7
89.02464	1.1
90.91312	0.6
95.01398	1.9
96.95994	2.7
98.95602	0.9
99.00887	3.1
101.02440	9.4
107.88364	0.8
113.02468	9.1
115.00334	1.1
115.07655	26.8
116.07977	0.8
126.09412	0.7
130.08815	0.9
133.01253	1.0
138.17146	0.8
146.00859	0.9
159.02939	0.7
161.04550	3.0
165.01941	1.0
169.06610	2.3
183.04358	0.7
185.06013	1.0
187.03987	1.2
189.05556	1.2
211.04039	1.2
213.05620	2.9
214.02658	1.0
215.03294	0.7
227.03526	3.0
229.05177	1.4
239.03354	0.8
241.04932	0.7
249.06158	4.3
255.02988	20.5
256.03275	1.8
257.04541	1.4
260.64551	0.8
267.07184	0.9
279.14487	15.3
280.14868	0.9
283.02490	47.2
284.03146	7.0
285.04050	76.9
286.04306	5.3
321.15573	8.6
363.07571	2.1
364.07977	1.2
364.19193	0.9
365.07364	1.8
365.14511	48.4
366.14969	4.0
430.09000	11.3
431.09796	28.2
432.10165	2.9
577.15656	100.0
578.15997	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	937.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21991	1.9
71.01379	3.9
73.02930	3.5
85.02960	2.8
98.19760	5.5
122.25627	2.1
127.03999	2.5
133.02954	25.0
134.03789	2.3
135.04543	15.5
141.38629	2.1
145.05066	5.6
161.02454	84.0
162.02856	2.1
177.05515	3.0
179.03493	19.9
180.04005	2.2
190.22237	2.2
191.07074	2.3
221.04523	8.4
227.03503	31.2
229.96252	3.4
255.02997	50.5
256.03467	7.1
281.06628	5.4
284.03302	46.3
285.04050	100.0
286.04413	7.6
323.07544	5.1
431.09763	32.1
432.10001	3.7
464.02887	2.2
469.13556	72.8
470.14044	4.6
563.58722	2.6
755.18353	49.3
756.18402	9.8
901.24017	28.7
902.23962	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	939.6426
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63003	0.6
71.01401	0.8
71.60205	1.1
79.45430	0.6
85.02948	0.6
88.33503	0.6
96.96019	1.7
133.01456	1.0
187.09238	0.5
214.71948	0.5
262.50989	0.6
302.36502	0.7
306.07596	0.7
903.66205	2.7
939.64246	100.0
940.64514	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51223	0.4
70.51572	0.5
71.01387	7.7
79.61327	0.2
89.02441	0.3
101.06020	0.2
122.03640	0.2
127.07693	1.1
139.94685	0.2
148.05318	0.6
151.07654	0.7
164.08423	0.8
177.09209	3.4
192.11565	7.0
193.12259	0.6
205.12329	4.0
206.12817	0.2
207.13850	1.8
217.08705	0.4
218.09494	2.1
220.14694	38.9
221.15463	100.0
222.15808	5.6
235.13399	1.5
236.10542	88.9
237.10912	5.6
241.30977	0.2
253.14383	0.3
256.99319	0.2
293.17599	52.1
294.17950	4.3
309.49536	0.2
370.85709	0.2
374.30292	0.2
397.13544	0.4
412.31165	0.2
629.39612	0.2
855.64606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2309
Annotation	Quercetin 3-(6''''-p-coumarylsophorotrioside)
Peak:m/z	Relative Intensity
65.00327	3.5
71.01381	2.8
73.02931	1.3
83.01399	3.1
85.02967	1.2
107.01389	8.3
109.02961	2.4
115.00322	0.9
119.74731	0.7
121.02970	4.4
125.02466	1.2
132.02145	1.2
133.02960	9.1
135.04546	5.4
137.02425	1.0
144.91461	0.8
147.62843	0.8
148.01648	1.5
149.02460	7.1
151.00377	27.9
161.02454	25.7
162.02805	1.9
163.00342	2.7
164.01164	1.2
164.04863	3.9
169.01520	1.0
175.04030	1.0
177.05447	0.9
178.99867	14.3
179.03493	5.2
189.01872	1.1
190.02715	1.5
190.99901	0.9
193.01381	1.8
194.98322	0.8
198.03174	1.1
199.03906	0.8
208.03688	1.1
221.04572	1.2
223.06114	13.2
224.06570	0.8
226.02734	7.6
227.03555	4.0
229.04900	1.4
243.02986	13.4
244.03421	1.0
245.04648	1.1
246.25131	0.9
254.02248	5.7
255.02969	11.2
271.02481	80.0
272.03137	7.1
273.03879	1.1
281.06598	1.8
283.02454	2.5
285.03973	3.1
299.01984	11.0
300.02759	95.6
301.03516	100.0
302.03998	7.5
307.28217	0.7
318.83023	0.8
323.07819	0.9
343.04764	1.0
406.89319	0.8
463.08835	54.1
464.09003	5.9
469.13580	10.4
609.14484	5.3
684.41241	0.9
770.17505	1.3
771.18091	47.0
772.18262	8.6
831.59772	0.8
846.71692	0.8
933.23096	33.7
934.23230	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	931.2518
Annotation	Kaempferol 3-[2Gal-(6'''-feruloylglucosyl)-robinobioside]
Peak:m/z	Relative Intensity
65.00333	1.0
68.88970	0.3
69.01799	0.3
70.97420	0.3
83.01399	0.7
86.20661	0.3
87.30164	0.3
93.03472	0.9
98.20740	0.5
107.01389	1.8
109.02987	0.5
117.03514	0.6
121.02941	0.4
125.02451	0.6
132.02209	0.4
133.02988	1.7
135.04541	0.7
151.00368	4.6
153.01855	0.4
154.04266	0.4
159.04486	0.3
160.01663	1.6
161.02486	2.6
161.04761	0.3
163.00366	0.9
164.01137	0.4
165.01881	0.4
167.05135	0.4
169.01421	0.6
171.04515	0.6
175.03990	1.2
177.01950	0.3
178.99835	1.2
179.03461	0.7
183.04521	0.5
185.06096	0.8
187.03960	0.5
193.05067	0.6
198.03123	0.3
199.04019	0.5
201.05598	0.5
211.04019	1.1
213.05603	0.5
214.02838	0.5
215.03488	0.6
225.41789	0.3
226.02832	0.7
227.03499	28.4
228.03851	1.9
229.04979	0.8
239.03603	0.5
243.02930	3.6
254.02362	0.6
255.02992	40.2
256.03592	5.6
257.04492	0.9
271.02469	9.1
272.02969	0.4
281.06586	0.4
283.02518	4.4
284.03268	38.8
285.04047	100.0
286.04395	6.6
299.01993	3.0
300.02750	9.4
301.03525	10.1
302.03738	0.7
314.04236	1.6
315.05148	2.7
327.05109	1.0
390.70636	0.3
417.08228	1.2
447.09338	73.4
448.09634	7.3
461.10986	1.1
469.13626	4.4
470.14023	0.4
483.15103	2.8
536.25549	0.4
707.09326	0.4
769.19812	3.3
770.20093	0.8
785.19543	2.6
786.19769	0.6
848.85901	0.4
919.02606	0.4
931.25049	3.2
932.25659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.252
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00316	0.5
66.33959	0.2
69.49571	1.6
83.01393	0.4
93.03474	0.8
96.82683	0.2
98.20721	0.3
105.78684	0.2
107.01386	0.9
109.02996	0.3
117.03461	0.4
125.02431	0.4
127.03948	0.3
133.02975	0.4
137.02435	0.4
150.03293	0.4
151.00369	2.8
153.01924	0.4
159.04591	0.3
160.01662	1.2
161.02435	0.5
163.00394	0.3
165.01956	0.3
169.01378	0.4
169.06564	0.4
171.04506	0.4
174.03227	0.3
175.04051	1.2
176.01160	1.2
178.99838	0.3
179.37227	0.2
183.04471	0.4
185.06064	0.6
187.04027	0.4
191.03435	1.2
193.05043	0.3
211.03992	1.0
213.05495	0.3
214.02606	0.4
227.03502	25.8
228.03955	1.6
229.05029	0.6
235.06026	0.3
239.03459	0.6
243.02992	0.6
255.02983	36.5
256.03586	4.8
257.04456	0.7
283.02548	3.5
284.03268	39.1
285.04031	100.0
286.04379	7.0
327.05109	0.8
368.49884	0.3
431.09766	2.3
447.09326	66.8
448.09631	7.5
483.15024	3.4
499.14471	2.7
500.15253	0.3
526.62622	0.3
769.19647	3.8
770.20166	0.7
785.19873	0.7
931.25787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00348	0.9
70.79739	1.5
74.02477	2.4
83.01363	1.0
86.02489	1.0
93.03487	1.4
99.05648	1.9
107.01385	2.7
111.05678	0.8
117.03487	2.3
128.03569	6.6
132.02196	6.7
133.02922	2.2
134.03775	10.3
135.00897	1.1
135.04486	0.7
143.04643	12.1
149.06078	0.8
151.00377	4.8
159.04515	2.3
160.01706	22.6
161.02477	7.1
163.00426	1.4
165.01920	0.8
167.04655	1.0
169.06577	1.6
175.04016	19.0
177.03305	1.0
178.99756	0.7
179.04585	2.2
183.04489	1.1
185.06055	2.0
187.04027	2.2
193.05124	4.5
194.05405	0.7
195.04521	1.1
197.05992	0.9
198.03177	0.7
203.36589	0.8
208.23119	0.8
210.08856	2.9
211.04031	1.8
213.05612	2.2
219.80330	0.8
221.22290	0.8
227.03537	16.1
228.03946	1.5
229.05058	6.1
239.03481	1.2
241.05089	1.5
254.07811	1.5
255.02995	47.1
256.03561	5.0
257.04608	5.0
272.08942	2.4
283.02502	49.2
284.03247	48.8
285.04050	100.0
286.04309	5.6
288.06503	1.5
299.05557	2.2
306.07681	34.8
307.08041	2.3
327.05014	0.9
362.83340	0.8
403.93021	0.8
430.08908	6.1
431.09821	7.2
447.09421	5.6
485.13229	1.2
499.14584	2.5
591.13879	5.1
609.14624	12.2
737.18964	2.9
755.20093	5.6
756.41187	0.9
785.19391	75.3
786.19781	16.8
931.25031	5.4
932.26044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	2.4
71.01384	24.1
71.60818	1.4
72.99310	2.1
73.02957	3.2
74.22076	0.9
81.03476	1.6
83.01384	3.1
83.05029	7.8
85.02946	5.5
87.00891	3.7
89.02452	15.2
93.03458	1.8
95.01382	1.9
96.95990	1.1
97.02951	4.4
97.06609	7.1
99.00904	1.8
99.38831	0.8
101.02447	18.0
103.05100	1.0
107.05056	1.6
109.02971	1.1
109.06601	1.7
113.02465	10.3
115.00371	1.6
115.03983	0.9
119.03529	4.5
119.05029	4.9
119.08671	1.0
121.06615	2.1
123.04520	1.4
123.08188	6.8
123.08939	1.3
125.02461	7.8
125.09785	1.1
133.01440	4.9
133.05075	1.0
133.06560	1.3
135.08176	2.4
137.09726	5.7
143.03520	3.2
151.07680	2.2
153.09212	3.8
155.10747	1.6
161.04526	5.1
163.04051	8.8
163.07645	7.3
163.11296	2.4
174.28699	0.9
179.05600	3.2
181.08722	15.1
181.12341	2.1
183.98251	1.0
196.07364	1.1
199.56293	0.8
217.16046	7.0
221.06706	1.8
235.08232	11.2
235.17023	3.2
249.18591	52.4
250.18974	2.9
253.09436	4.8
261.15024	1.3
279.16028	18.0
280.16568	1.8
287.07800	3.1
305.08762	3.1
323.09775	1.3
344.50867	1.0
397.13507	100.0
398.13849	7.9
415.14572	32.6
416.14749	2.6
647.32825	5.6
752.34973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.215
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83208	0.5
71.01388	13.9
71.60674	0.4
72.99315	0.7
83.01395	0.4
84.51041	0.4
85.31098	0.4
89.02476	0.5
89.03984	0.9
94.14598	0.4
109.04209	0.4
112.12772	0.4
115.00379	14.3
117.03459	3.7
121.02946	1.2
122.14875	0.4
124.12106	0.4
133.01445	28.0
133.02904	2.2
134.03749	59.9
135.04092	1.9
136.79185	0.5
137.02470	1.3
139.04057	0.4
149.02461	3.5
149.06094	5.5
150.03224	0.8
151.00339	2.0
152.60167	0.4
161.02371	0.5
164.04807	3.0
165.05409	0.5
178.02740	5.0
193.05061	100.0
194.05421	4.5
208.03741	0.6
209.04509	1.4
223.06102	7.6
224.20389	0.4
227.03439	0.7
243.03072	0.6
255.02925	1.9
256.03595	0.7
271.02469	10.2
272.02716	1.0
284.02957	0.5
285.04077	1.4
286.04224	0.6
299.01981	19.2
300.02637	3.7
301.03549	16.8
302.03937	1.2
304.33542	0.4
309.06165	7.2
310.06262	0.7
325.14423	0.5
393.80460	0.5
434.81808	0.4
445.07755	0.7
446.08481	7.3
447.09320	8.7
448.09537	0.7
463.08768	0.8
579.13470	1.7
591.13568	19.9
592.13904	3.3
609.14581	21.6
610.14789	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	919.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	12.9
72.99312	0.4
83.27322	0.3
84.36566	0.3
89.03986	0.8
98.20615	0.9
115.00383	9.4
117.03456	4.3
133.01448	15.4
134.03754	58.6
135.04080	2.4
137.02463	1.1
149.06081	5.7
150.06456	0.4
151.00365	0.9
177.02045	0.4
178.02740	5.4
193.05069	100.0
194.05400	5.0
199.98833	0.4
212.04388	0.3
243.03072	0.4
255.02869	0.5
271.02530	3.5
283.02557	0.6
285.04169	0.5
299.01990	7.3
300.02728	0.6
301.03574	3.2
309.06186	6.1
310.06454	0.7
327.50983	0.4
345.71158	0.3
388.91110	0.4
446.08450	2.5
447.08963	1.1
489.13663	0.5
609.14587	13.2
610.14642	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.215
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95089	0.4
69.49559	0.4
69.75419	2.6
71.01383	13.9
72.01784	0.5
72.99326	0.6
79.19945	0.4
89.03970	1.0
98.19946	0.6
107.01385	0.5
109.02951	0.4
115.00374	16.8
116.00755	0.5
116.48021	0.4
117.03474	5.0
124.11451	0.4
133.01436	34.7
134.03743	69.0
135.04092	2.9
137.02470	1.0
138.16057	0.4
142.04285	0.4
149.06082	5.7
151.00391	2.8
159.48833	0.4
163.00354	0.9
165.66040	0.4
178.02721	3.7
192.00728	0.6
193.05057	100.0
194.05382	5.7
199.03940	0.8
227.03540	1.1
229.05014	0.6
242.81621	0.4
243.03032	1.4
255.03043	1.2
271.02481	23.0
272.02850	1.8
299.01978	43.6
300.02542	6.9
301.03531	18.7
302.03864	1.2
309.06177	8.8
310.06400	0.5
361.08435	0.5
446.08517	15.5
447.09198	7.9
448.09628	0.5
463.08743	2.8
609.14600	87.0
610.14954	13.5
707.12207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	12.3
71.59393	0.4
72.99317	0.6
82.05255	0.2
89.02447	0.3
89.03977	1.0
96.96019	0.4
106.04271	0.2
115.00383	9.6
116.00708	0.3
117.03467	4.2
118.03808	0.3
119.05047	0.3
121.02979	0.2
126.47852	0.2
133.01445	13.6
134.03749	55.0
135.04100	2.4
137.02441	1.0
139.04047	0.5
149.06100	5.5
150.06404	0.4
151.00366	0.6
163.03983	0.5
178.02725	4.4
179.03085	0.2
180.15878	0.2
190.99344	0.2
193.05063	100.0
194.05396	5.3
223.06265	0.3
243.03250	0.3
255.02989	0.7
271.02481	3.9
283.02484	0.7
285.04083	0.9
298.98557	0.4
299.01978	7.5
300.02621	1.8
301.03540	5.5
302.03897	0.3
306.07538	0.4
309.06174	6.4
310.06656	0.5
396.87674	0.2
398.75314	0.2
446.08630	1.2
447.09387	1.6
462.07913	1.5
463.08447	1.0
492.27072	0.2
543.78870	0.2
609.14600	18.6
610.14978	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	917.236
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	0.9
69.35812	0.4
70.58505	0.9
71.01389	1.3
78.68971	0.3
83.01393	0.9
85.02969	0.8
89.02441	0.4
89.03967	0.4
93.03475	0.6
101.02449	1.3
105.03469	0.6
105.20146	0.4
107.01395	1.1
109.02974	0.6
113.02509	0.6
113.16821	0.4
117.03469	1.4
132.02188	3.5
133.02966	44.7
134.03444	1.3
135.04530	13.4
143.04947	0.6
143.94113	0.4
149.06110	0.8
151.00346	3.6
154.04250	0.7
159.04485	0.7
160.01723	0.5
161.02454	100.0
161.35037	0.4
162.02768	4.2
163.00375	0.8
169.01483	0.5
169.06578	1.5
171.04579	0.6
173.02524	0.4
173.06229	0.5
175.04031	1.0
177.01978	0.4
177.05562	1.4
179.03505	8.3
183.04370	0.9
185.06111	1.2
187.04051	1.2
189.05571	1.1
195.04648	0.4
198.97047	0.3
198.99055	0.4
199.03891	0.5
201.05431	0.5
203.03528	3.1
211.03944	1.5
213.05544	1.5
214.02786	0.6
215.03532	0.6
221.04521	1.0
227.03496	10.4
228.03960	0.7
229.05099	3.0
239.03563	0.9
241.05093	1.1
243.02928	0.7
255.02989	26.6
256.03568	3.3
257.04568	3.5
271.02466	1.3
283.02512	19.7
284.03241	23.2
285.04047	68.6
286.04370	5.2
299.01987	1.2
301.03476	1.1
323.07758	0.4
327.04993	0.5
417.08154	0.9
429.08295	1.0
430.09064	2.9
431.09912	3.9
447.09604	2.1
449.54007	0.4
469.13544	6.5
470.13852	0.7
485.13101	8.7
486.13293	0.6
601.44550	0.4
609.14636	7.5
610.14752	0.8
631.43445	0.4
755.19690	5.3
756.19757	0.8
771.17810	59.8
772.18091	10.6
916.67010	0.4
917.23499	15.9
918.23767	3.2
922.24268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00337	1.3
69.98090	0.6
70.05700	2.8
71.01385	3.0
73.02943	4.2
82.59246	0.7
83.01375	1.8
85.02960	0.9
89.02431	0.8
93.03470	0.9
94.93423	0.7
101.02446	1.3
107.01409	3.9
109.03007	1.1
115.88769	0.7
117.03466	1.5
121.02973	1.1
125.02430	1.3
127.04025	1.4
132.02190	0.9
133.02959	22.9
134.03653	1.1
135.00890	0.7
135.04527	12.4
137.02408	1.4
145.05075	2.7
151.00380	11.9
159.04523	1.1
161.02451	82.9
162.02821	3.0
163.00345	1.5
164.01111	0.8
165.01921	1.0
169.01474	1.4
169.06589	0.9
173.02197	0.7
175.04062	1.3
177.05553	3.8
178.43396	0.7
178.99921	4.3
179.03499	17.4
180.03935	0.7
185.06108	1.4
187.03979	0.9
203.03632	0.8
211.04004	1.7
213.05478	1.0
215.03513	1.3
221.04544	6.6
226.02643	0.8
227.03505	45.7
228.03905	2.0
229.05081	2.3
239.03703	1.0
243.02963	3.5
251.05623	2.3
254.02335	0.8
255.02982	65.0
256.03561	9.7
257.04559	1.9
271.02454	16.5
272.02823	1.7
281.06589	5.3
283.02481	2.2
284.03271	60.7
285.04037	100.0
286.04373	6.5
299.01987	3.7
299.05237	0.7
300.02731	19.6
301.03513	28.5
302.03949	1.6
323.07822	4.7
327.05170	2.1
341.08807	1.2
447.09335	70.5
448.09717	7.2
469.13519	94.2
470.13925	9.5
556.61523	0.7
562.00171	0.9
609.15216	1.3
631.18964	4.0
755.18414	47.5
756.18555	12.3
771.18134	5.2
772.18927	0.9
917.23578	16.0
918.23303	4.8
946.53534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	0.6
67.36489	0.4
69.33445	0.4
69.33740	1.8
69.34161	2.5
71.01383	2.2
73.02961	4.1
83.01389	1.4
85.02970	1.1
85.31325	0.5
89.57204	0.4
93.03487	1.0
101.02446	1.1
105.03465	0.4
105.28439	0.5
107.01411	1.2
109.02953	0.9
117.03478	1.4
127.04014	1.2
132.02217	1.1
133.02966	19.4
134.03645	0.8
135.04541	14.5
137.02461	0.9
145.05099	2.3
145.06140	0.5
149.06050	1.0
151.00398	4.3
161.02452	69.6
162.02806	2.9
169.06619	1.0
175.03938	0.5
177.05545	3.3
179.03508	15.2
180.03813	0.5
185.06070	0.7
187.04016	1.2
211.04013	1.1
213.05602	1.2
214.02551	0.5
215.03371	0.6
221.04587	5.6
227.03505	33.7
228.03874	2.7
229.05038	1.7
239.03459	1.5
243.02921	0.7
251.05598	2.6
255.03004	46.3
256.03625	6.7
257.04471	2.1
267.02972	0.5
281.06616	6.3
283.02441	1.4
284.03281	49.8
285.04056	100.0
286.04391	7.1
299.61472	0.6
323.07846	3.5
327.05038	1.1
341.08832	1.6
447.09348	45.1
448.09579	4.8
469.13516	90.5
470.13889	9.6
631.18805	5.0
755.18335	44.2
756.18640	10.2
917.23560	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	917.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	2.2
65.19221	0.6
69.74609	0.6
71.01385	1.1
73.02952	1.3
74.02501	0.7
83.01378	2.7
98.19808	2.2
107.01407	4.9
108.02189	1.0
109.02943	1.4
121.02961	1.4
125.02446	0.8
132.02211	0.9
133.02974	7.7
134.03661	0.9
135.00919	0.7
135.04518	5.3
137.02470	0.6
143.04591	1.0
145.05063	0.8
149.02505	1.3
151.00372	14.0
160.01633	1.0
161.02454	27.5
162.02879	1.2
163.00391	2.2
164.01180	1.2
169.01480	1.6
171.04579	0.9
172.05338	0.7
174.03317	0.8
175.04015	1.8
177.03397	1.8
177.05626	0.9
178.99873	7.4
179.03487	5.2
183.04549	0.9
187.03983	1.3
198.03308	1.1
199.03934	2.4
211.03903	1.1
215.03444	1.6
216.04272	1.2
221.04535	2.2
223.06177	0.8
226.02728	6.9
227.03506	12.1
228.03941	1.1
229.05054	1.0
230.43835	0.8
236.27789	0.7
243.02988	19.3
244.03285	1.2
254.02205	7.1
255.02974	15.4
256.03500	2.3
257.04684	1.4
270.01563	0.8
271.02484	85.5
272.02939	8.4
281.06689	2.1
283.02539	2.6
284.03308	8.0
285.04056	29.9
286.04398	3.8
299.01987	26.2
300.02762	100.0
301.03519	73.8
302.03976	3.6
314.04352	5.6
315.05069	10.9
323.07712	1.2
343.04410	0.9
429.08197	4.7
431.09766	2.5
432.10037	1.0
433.07761	88.8
434.08023	8.8
447.09351	11.0
448.09726	2.1
456.38651	0.7
469.13513	37.8
470.13876	4.6
483.15210	0.7
489.39069	0.6
601.16943	0.9
609.14600	1.7
628.32837	0.7
667.73340	0.7
741.18500	4.0
755.18408	6.9
756.18469	1.5
784.18604	2.5
785.19507	21.7
786.19574	5.3
917.23615	25.9
918.24072	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	917.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93112	0.6
65.00317	0.6
71.01392	3.5
71.37140	1.4
71.84503	0.5
72.67339	0.6
73.02955	3.6
83.01399	1.1
85.02952	1.7
92.57198	0.6
101.02479	1.4
107.01373	1.4
109.02933	0.9
109.61134	0.5
117.03470	1.0
121.02988	0.7
127.04022	1.1
128.81845	0.6
132.02142	0.7
133.01428	1.2
133.02963	21.2
134.03606	1.0
135.04538	12.0
145.05054	2.1
149.06097	1.0
151.00352	4.0
161.02458	71.6
162.02788	2.4
165.00121	1.4
169.01476	0.9
169.06700	0.7
172.05307	0.6
175.04021	0.8
177.05605	2.6
178.99913	1.1
179.03513	15.4
185.06148	1.0
187.03989	1.0
203.03546	0.9
211.04076	1.1
214.02576	0.7
221.04561	4.9
227.03508	37.3
228.03894	2.4
229.05090	1.6
251.05597	3.4
255.03003	50.9
256.03641	7.0
271.02515	2.5
281.06589	5.9
283.02545	1.7
284.03281	50.9
285.04044	64.0
286.04379	4.4
299.02109	0.9
300.02762	2.2
301.03568	3.0
323.07837	2.8
327.05093	0.9
341.08707	1.6
352.03241	0.7
429.08289	1.9
447.09344	54.6
448.09647	5.9
463.09418	0.8
469.13528	100.0
470.13855	9.7
631.19238	2.9
755.18280	26.5
755.31537	1.4
756.18945	5.2
771.17834	1.5
917.23981	2.7
918.25342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2574
Annotation	Kaempferol 3-ferulylrobinobioside-7-rhamnoside
Peak:m/z	Relative Intensity
65.00330	0.5
83.01404	0.5
90.70385	0.2
93.03486	0.7
96.95998	0.3
99.50597	0.2
107.01404	0.6
117.03487	0.4
125.02440	0.5
132.02168	0.5
133.01482	0.3
133.02927	0.3
134.03766	0.4
143.04991	0.4
143.49875	0.2
145.02980	0.4
151.00409	2.2
153.01910	0.4
155.04976	0.2
159.04523	0.3
160.01659	1.6
163.00381	0.4
165.02002	0.3
167.05000	0.3
169.06607	0.4
171.04622	0.4
175.04031	1.4
178.99863	0.4
183.04518	0.5
185.06087	0.9
187.04002	0.8
193.05066	0.5
205.67453	0.3
211.03993	0.8
213.05472	0.4
215.03474	0.4
227.03502	33.4
228.03885	2.2
229.05078	1.0
239.03500	0.6
239.06801	0.2
240.04129	0.4
241.52998	0.3
255.02982	40.7
256.03610	5.9
257.04437	0.7
283.02441	3.4
284.03256	43.4
285.04031	100.0
286.04395	6.3
299.05609	0.4
327.04974	0.7
431.09818	77.1
432.10147	9.0
483.15137	4.2
484.15173	0.3
488.73325	0.3
769.19788	2.6
770.21185	0.4
915.25073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2572
Annotation	Kaempferol 3-ferulylrobinobioside-7-rhamnoside
Peak:m/z	Relative Intensity
65.00317	0.5
65.55991	0.2
69.82539	0.8
69.82957	0.4
82.01167	0.2
83.01373	0.6
93.03459	0.7
95.01384	0.3
107.01402	0.8
109.02952	0.2
117.03455	0.4
123.98034	0.2
125.02465	0.4
132.02194	0.4
133.03021	0.2
134.03741	0.5
135.00865	0.4
135.04442	0.3
143.05019	0.2
151.00359	1.7
153.01938	0.2
154.04288	0.3
157.06523	0.3
159.04494	0.3
160.01636	1.6
161.02415	0.4
163.00362	0.5
168.05817	0.3
169.06621	0.5
171.04559	0.4
175.03990	1.0
176.04648	0.2
178.99904	0.3
183.04468	0.6
185.06061	0.7
187.04007	0.7
193.05038	0.6
211.04013	0.7
213.05518	0.8
216.47653	0.2
227.03506	25.8
228.03905	1.8
229.05058	0.9
239.03503	0.6
240.04193	0.2
241.05138	0.3
243.02971	0.4
255.02989	34.6
256.03607	4.8
257.04510	0.8
269.04404	0.2
282.99435	0.3
283.02484	3.3
284.03275	36.7
285.04047	100.0
286.04395	7.8
294.76041	0.2
299.05850	0.3
327.05063	0.8
359.36545	0.2
431.09830	67.0
432.10162	7.2
432.16150	0.3
483.15109	3.2
550.85687	0.2
573.52515	0.2
614.52136	0.2
769.19971	2.6
770.20544	0.7
836.64380	0.2
915.26056	0.7
931.12280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64023	1.5
71.01384	0.4
71.05036	0.3
75.62798	0.2
76.14063	0.2
81.03461	1.1
83.05034	2.2
85.02940	0.5
96.96022	0.6
125.07232	0.3
125.09728	1.6
127.11301	2.4
128.03502	0.2
136.11954	0.2
137.09856	0.3
142.10332	0.2
146.94327	0.2
155.14458	0.6
165.12967	0.3
167.14435	1.3
168.14828	0.2
171.10275	2.5
183.13918	1.2
193.12337	0.5
209.11844	2.1
211.13406	7.4
212.13789	0.5
224.17624	0.4
225.16060	2.0
228.13148	0.3
229.14449	100.0
230.14801	5.5
238.75708	0.2
285.04068	0.2
306.07822	0.3
371.16299	0.3
375.76147	0.2
409.33038	0.3
415.07169	0.2
433.31656	0.3
450.34390	0.3
451.33005	1.2
562.48053	0.3
677.49713	34.1
678.49988	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	905.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49300	0.3
71.01383	11.9
71.01766	0.8
72.99306	2.2
89.02442	1.4
102.66257	0.3
107.05048	0.5
108.04507	0.4
115.00381	32.1
116.00700	0.9
133.01440	100.0
134.01811	1.7
134.03775	2.9
135.04533	22.7
136.04912	0.8
140.61909	0.4
151.00381	2.0
163.00381	0.5
163.04021	0.5
177.01942	1.1
178.02293	0.4
179.03510	24.0
180.03885	1.1
193.04991	1.9
199.03879	0.4
215.03407	0.4
227.03520	0.8
243.03020	1.2
255.03032	1.0
271.02487	15.2
272.02878	1.4
295.04596	5.1
296.04962	0.5
299.01987	31.9
300.02533	4.4
301.03552	14.0
302.03888	1.4
436.58853	0.4
446.08603	12.2
447.09229	4.7
463.08682	2.1
595.12885	1.2
604.18463	0.4
609.14624	57.7
610.15002	8.7
610.24371	0.3
657.30695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99146	0.4
71.01388	16.7
71.59997	0.6
72.99310	2.0
85.02954	0.6
89.02435	1.1
95.05025	1.4
105.03463	2.6
107.05038	0.6
108.02197	0.9
109.02960	1.9
115.00378	36.1
116.00729	0.8
116.31510	0.5
119.05038	25.5
120.05334	1.0
122.79035	0.5
123.04504	0.5
133.01447	100.0
133.02914	12.3
134.01797	2.4
134.03159	2.7
135.04538	16.4
141.76033	0.5
151.00406	0.9
161.02492	0.5
163.04021	51.1
164.04367	1.9
177.01930	8.7
178.02252	3.3
179.03528	17.2
193.05095	1.6
211.84343	0.5
225.74194	0.5
243.02959	0.6
255.03191	0.7
261.84625	0.5
271.02478	9.8
272.02817	0.8
279.05106	4.7
295.04630	4.3
295.08002	0.7
299.01993	15.9
300.02502	3.2
301.03583	8.2
302.03915	0.8
315.01611	1.1
316.02271	0.9
317.03052	0.7
342.68445	0.6
445.08096	0.9
446.08591	6.6
447.09198	2.1
463.08878	2.1
479.08972	0.8
598.61597	0.6
609.14642	32.5
610.14923	6.1
611.15662	0.7
625.14215	3.8
878.64282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32636	4.6
69.33037	1.7
71.01389	13.8
72.99310	2.7
78.31129	0.5
89.02471	1.5
89.03980	0.8
97.44389	0.6
103.92151	0.7
107.01377	0.8
109.03029	0.7
114.21186	0.5
115.00382	36.7
116.00740	0.5
117.03455	3.0
133.01443	94.8
134.01709	1.8
134.03751	81.8
135.04156	2.3
149.06104	4.5
151.00394	3.7
161.02428	3.5
168.64378	0.6
178.02718	1.2
178.99867	1.8
179.03526	1.0
193.05066	100.0
194.05377	5.4
226.02707	0.7
243.02939	1.5
254.02451	0.9
255.02966	2.0
271.02463	11.9
272.02902	1.0
299.01996	7.6
300.02780	11.6
301.03528	19.7
302.03922	0.9
309.06168	15.9
310.06610	1.0
433.07764	5.4
434.07870	0.9
446.08456	1.7
447.09192	2.3
469.13354	1.5
551.80518	0.6
593.15137	13.6
594.15253	2.2
609.14758	1.3
721.92053	0.6
733.87640	0.6
771.17719	5.3
772.18054	1.0
817.09271	0.7
860.84479	0.6
903.22375	4.5
904.22424	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04249	1.1
70.98539	0.2
71.01387	13.0
79.28055	0.2
89.03997	1.0
96.02670	0.2
98.20599	0.4
106.04259	0.3
115.00381	5.1
117.03475	4.8
117.04269	0.5
133.01463	0.7
133.02994	0.3
134.03749	53.1
135.04095	2.3
136.69656	0.2
137.02457	1.2
139.04042	0.6
149.06096	6.2
150.06447	0.3
178.02736	5.1
179.03049	0.3
193.05064	100.0
194.05386	5.4
255.02995	0.3
272.30341	0.2
283.02386	0.4
309.06146	3.9
310.06723	0.3
388.70865	0.2
593.15094	0.8
616.60052	0.3
718.83759	0.3
734.43774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	18.8
76.14713	1.6
79.95733	2.3
80.96530	10.5
82.31623	1.6
83.47041	1.6
85.02965	3.8
87.00882	2.9
88.98812	3.2
89.02447	9.3
89.99754	1.9
94.98113	2.8
97.02962	4.6
99.00889	9.3
101.02472	9.7
112.87001	1.7
113.02438	2.5
119.03521	3.0
125.02427	3.4
125.09679	2.8
163.11269	7.4
171.10249	5.0
181.12267	11.4
183.28537	1.8
197.11749	3.0
199.13412	12.7
203.24213	1.8
207.10271	29.5
221.06596	2.1
225.00713	3.4
225.09195	3.7
225.11334	46.5
226.11736	2.9
235.08250	2.9
243.12344	16.1
270.13422	1.8
277.21701	24.0
278.22086	2.9
379.12689	1.9
397.13422	16.4
415.14554	3.4
605.24835	4.3
623.25458	6.2
646.11121	1.9
883.46899	13.4
901.47815	100.0
902.48181	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	901.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	1.5
71.01384	23.8
72.99301	1.9
73.02945	3.8
80.96526	1.5
83.01408	2.3
85.02946	5.3
87.00877	6.5
88.98788	1.8
89.02453	18.0
95.01393	2.3
95.05092	1.5
97.02949	4.8
99.00870	1.5
101.02453	14.8
109.02969	1.6
113.02466	8.2
119.03505	4.9
125.02468	8.9
127.11369	1.8
131.03423	1.7
143.03485	2.4
161.04556	5.6
163.11252	1.7
171.10272	100.0
172.10573	5.7
179.05576	5.9
181.12439	1.9
197.11861	3.3
207.10304	8.8
225.11325	39.2
226.11771	1.7
235.08159	5.2
243.12381	7.4
273.81879	1.4
277.21716	68.9
277.24786	3.3
278.22037	6.0
287.07568	3.1
305.08572	2.1
323.09598	1.7
379.12500	21.7
397.13522	50.3
398.13730	2.2
415.14639	10.4
431.95874	1.6
551.23474	5.3
569.24420	6.7
605.24329	5.2
623.25635	8.7
657.34937	1.9
675.35999	2.8
883.46436	7.6
884.46985	1.8
901.46423	4.6
902.46228	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	901.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02403	0.4
69.51939	2.8
71.01380	2.8
73.02952	3.9
83.01392	1.3
85.02946	1.1
87.00878	0.9
89.02428	0.5
93.03450	1.0
101.02445	2.3
107.01390	0.6
109.02944	0.8
117.03468	1.4
125.02444	0.7
127.04020	1.3
132.02185	1.3
133.02963	24.6
134.03719	0.8
134.76089	0.4
135.04533	15.3
136.04855	0.6
137.02434	0.6
141.93018	0.4
143.04834	0.4
145.05052	2.6
149.06082	1.3
151.00395	2.4
151.29417	0.4
153.01929	0.4
161.02449	80.8
162.02769	3.2
163.00436	0.7
169.06619	0.5
177.05540	3.6
179.03500	16.1
185.06128	0.9
187.03992	0.7
189.05450	0.5
211.03966	0.7
213.05609	0.7
221.04541	5.7
227.03493	29.6
228.03867	1.6
229.04997	1.6
239.03610	0.9
251.05623	3.1
255.02980	39.1
256.03558	5.9
257.04501	1.6
281.06665	6.4
283.02539	1.6
284.03271	38.6
285.04037	70.9
286.04379	5.4
323.07727	3.2
327.05194	0.7
341.08817	1.6
351.80704	0.4
387.08194	0.5
429.09024	0.4
431.09833	31.0
432.10107	2.5
447.09351	0.8
469.13513	100.0
470.13821	10.1
505.18604	0.8
517.18768	1.4
591.22705	0.4
604.62817	0.5
615.19226	1.4
755.18274	22.4
756.18658	4.2
814.97485	0.4
901.24200	5.6
902.23755	1.3
905.72485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02391	0.4
65.00356	0.3
66.48427	0.2
70.38293	0.2
83.01376	0.4
93.03444	0.6
107.01400	0.8
109.02924	0.4
114.91325	0.2
125.02387	0.4
130.04350	0.2
132.02156	0.4
133.02928	0.8
135.04520	0.4
137.02364	0.3
151.00363	2.1
154.04234	0.3
160.01627	1.4
161.02443	2.4
163.00356	0.5
169.01468	0.5
169.06635	0.2
171.04456	0.3
174.03085	0.3
175.04030	1.5
179.03494	0.6
183.04518	0.6
185.06133	0.6
187.04005	0.7
193.04976	0.2
195.04587	0.3
211.03996	0.8
213.05573	0.4
215.03604	0.2
221.04510	0.3
227.03506	27.3
228.03876	1.6
229.05048	0.8
239.03452	0.5
243.02904	0.4
255.02988	39.3
256.03598	5.2
257.04352	0.8
283.02505	3.6
284.03256	43.3
285.04031	100.0
286.04373	7.4
313.26019	0.3
327.05215	0.6
352.40341	0.2
417.08270	67.2
418.08606	6.4
431.09738	1.4
469.13461	2.4
483.15106	3.0
747.00110	0.3
755.18481	0.9
769.19684	2.9
770.20490	0.6
901.23737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02417	1.2
71.01390	2.8
73.02940	4.7
83.01396	0.8
85.02928	1.2
88.61499	0.7
98.19858	2.5
98.32474	0.9
101.02447	1.0
102.93451	0.8
107.01450	0.9
108.02199	1.1
113.02478	0.8
117.03515	1.3
127.04003	1.4
132.02162	2.5
133.02962	24.2
134.03514	0.8
135.04533	16.6
145.05067	2.5
148.10732	0.7
151.00362	2.7
161.02446	84.9
162.02798	4.4
169.06752	0.8
175.04121	0.9
177.05556	3.2
179.03500	18.5
185.06131	1.3
187.25670	0.8
207.20122	1.0
211.03917	1.0
213.05670	1.0
221.04549	6.6
227.03510	37.4
228.03828	2.6
229.05025	1.4
251.05611	3.3
255.02983	51.2
256.03555	7.4
257.04498	1.8
281.06760	6.2
283.02472	1.7
284.03253	48.9
285.04031	92.6
286.04343	8.2
291.97580	0.9
323.07617	3.5
327.04990	1.4
341.08713	1.0
431.09802	39.1
432.10162	3.3
469.13495	100.0
470.13773	9.5
615.19116	1.2
755.18323	32.6
756.18329	5.5
901.24139	8.4
902.24103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27312	100.0
69.27731	53.2
71.01377	17.3
96.96004	23.0
98.20634	36.6
116.92873	16.7
167.54594	17.4
171.10277	81.2
172.10631	38.8
186.36203	15.6
225.77823	16.0
237.45267	15.2
277.21698	27.3
278.22107	37.3
397.13544	28.2
416.45383	18.3
479.98264	16.7
918.42456	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	899.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00343	0.6
71.01391	3.6
71.31652	0.7
73.02962	2.7
76.08990	0.6
83.01414	1.0
85.02949	2.1
87.00851	0.8
89.02465	0.9
93.03461	1.1
101.02432	1.5
103.57533	0.5
105.03436	0.6
107.01376	1.4
108.13054	0.5
115.00372	1.4
116.05078	0.7
117.03471	1.0
125.02351	0.5
127.03992	1.4
132.02167	0.9
133.01436	0.7
133.02965	17.4
135.04539	10.6
137.02451	0.9
143.04985	0.5
145.05083	2.1
149.06091	1.3
151.00371	3.2
154.04137	0.5
159.04468	0.8
161.02455	60.9
162.02797	3.2
169.01379	0.9
169.06575	0.7
175.03912	0.6
177.05548	3.1
178.99887	0.9
179.03505	12.7
185.06064	1.3
187.04010	1.0
197.06021	0.6
211.03957	1.0
221.04538	4.4
227.03503	31.5
228.03833	2.0
229.05064	1.6
239.03505	1.0
241.05060	0.7
251.05666	3.0
255.02997	44.6
256.03561	6.3
257.04486	1.7
264.10278	1.5
268.03369	0.5
281.06711	4.6
283.02536	1.6
284.03281	39.4
285.04050	100.0
286.04453	6.4
318.05865	0.6
323.07681	2.7
327.05322	0.9
341.08774	1.6
345.26071	0.6
409.11621	0.9
429.08273	42.6
430.08643	4.5
469.13531	96.7
470.13876	11.2
677.50677	0.6
755.18304	26.9
756.18677	5.7
778.00122	0.5
899.22797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	4.4
70.12540	4.4
70.12914	2.3
71.01382	17.2
72.75898	1.1
72.99295	1.3
73.02952	2.4
78.95898	2.5
80.59093	1.1
83.01385	2.1
85.02953	4.7
85.03415	1.2
87.00874	5.0
88.75658	1.1
89.02445	12.6
95.01379	1.6
97.02944	3.6
101.02456	9.5
113.02460	8.3
115.40602	1.2
116.92825	2.0
119.03503	3.6
125.02414	6.4
125.09624	1.9
127.11288	2.8
143.03499	3.0
152.99582	3.0
161.04527	5.1
171.00648	1.2
171.10277	100.0
172.10571	4.2
179.05568	4.2
191.16414	1.2
203.08421	1.2
203.79623	1.1
217.07153	1.6
235.08202	5.0
245.04285	3.3
253.21739	1.4
277.21729	62.0
278.21976	3.3
287.07776	1.9
305.08685	2.5
323.09515	1.4
379.12509	15.8
397.13510	42.7
398.13773	2.7
415.14597	8.5
481.25702	4.6
515.83661	1.3
551.23309	3.7
569.24268	3.9
657.34619	1.7
675.36157	2.9
911.34369	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	2.4
69.03443	1.6
70.09318	4.4
71.01389	16.9
73.02957	3.5
78.95927	5.6
80.96441	1.1
83.01388	2.3
85.02965	3.5
87.00881	5.3
89.02449	14.2
97.02977	3.0
98.20535	1.1
99.00900	1.2
101.02444	10.8
113.02456	8.0
119.03507	3.4
121.02984	1.0
125.02455	7.4
125.09756	1.8
127.11279	2.2
131.33873	1.1
132.69298	1.2
143.03479	2.4
152.99586	6.2
161.04570	4.1
163.38676	1.1
171.00604	1.4
171.10278	100.0
172.10628	5.2
179.05620	4.0
183.13094	1.0
209.11682	1.3
217.07076	1.2
235.08238	4.9
245.04381	6.8
253.21767	3.3
259.08154	1.4
277.21735	70.2
278.22159	5.8
287.07706	3.0
305.08624	1.5
321.19614	1.0
323.10010	1.4
379.12479	15.5
397.13525	45.8
398.13989	2.1
415.14462	8.1
481.25815	13.4
482.25989	1.3
551.23157	2.9
569.24426	2.5
624.24469	1.1
657.34637	1.3
675.36572	2.3
676.35901	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	889.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	2.9
71.01386	80.0
71.60299	3.7
72.99300	3.4
73.02952	100.0
83.01393	38.2
85.02959	13.4
87.78705	1.8
89.02453	18.0
94.61277	2.0
95.01383	4.1
98.09763	2.2
101.02454	97.2
113.02460	40.9
119.03520	11.1
125.02422	4.0
131.03529	11.3
133.01404	5.0
136.01672	13.4
143.03508	12.8
143.04514	3.1
147.02908	2.1
149.04562	21.0
151.04019	17.7
155.03508	5.1
161.02472	3.8
161.04575	31.6
181.90771	2.1
203.05594	4.7
215.97821	2.2
221.06665	8.9
228.39365	2.2
251.62846	2.1
255.02814	2.4
285.03827	7.5
286.04330	3.6
295.27338	2.3
301.03497	2.3
306.07568	12.2
357.13492	23.0
359.99420	2.3
432.09552	2.4
470.13574	2.4
471.13550	2.7
475.66577	2.3
489.29279	2.2
563.56165	2.7
742.77795	2.2
854.31494	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	889.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26143	0.4
69.26407	2.6
69.26825	2.0
69.73628	0.4
71.01387	11.6
98.19852	0.9
107.01390	0.6
115.00382	10.7
119.05034	47.4
120.05351	1.9
133.01440	25.7
134.01814	0.5
151.00374	2.7
154.61794	0.4
163.04016	100.0
164.04343	4.2
178.99754	0.8
179.61383	0.5
188.51767	0.4
199.04031	1.0
201.01932	0.4
215.03586	0.5
227.03514	1.0
237.00548	0.5
239.08078	0.5
240.53630	0.4
243.03014	1.7
255.03009	1.8
271.02484	22.9
272.02765	1.3
279.05096	8.0
279.07813	0.7
280.05170	0.6
299.01981	45.1
300.02499	6.7
301.03537	18.2
302.03931	1.4
446.08530	16.6
447.09320	7.0
448.10007	0.7
463.08792	3.8
505.89441	0.5
579.02423	0.4
609.14624	87.0
610.14935	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33677	1.8
69.34103	1.7
71.01384	13.1
72.99326	1.4
87.00901	0.4
89.02464	1.6
115.00378	35.6
117.40479	0.4
119.05035	26.4
120.05391	1.0
133.01439	100.0
134.01775	2.1
151.00339	2.1
163.04013	29.2
164.04367	1.3
208.21791	0.4
227.03604	1.1
239.57559	0.4
243.03021	1.2
255.02975	0.9
264.25171	0.5
271.02481	17.0
271.05399	1.0
272.02921	1.3
279.05112	6.0
280.28180	0.4
299.01981	35.1
300.02563	5.4
301.03552	16.9
302.03970	1.2
446.08536	14.3
447.09274	5.5
463.08978	2.5
464.09262	0.4
549.42963	0.5
609.14612	55.6
610.15002	8.9
805.91931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57166	0.5
71.01389	13.1
72.01720	0.7
78.31323	0.5
88.98075	0.4
89.02484	0.5
89.03980	1.4
98.19810	0.9
112.11179	0.5
114.99564	0.7
115.00378	15.5
117.03468	4.0
133.01448	28.9
133.03003	1.1
134.03752	69.4
135.04105	2.0
136.32343	0.5
137.02464	1.5
149.06090	6.1
151.00349	1.0
170.03925	0.5
176.54004	0.5
178.02751	4.6
193.05070	100.0
194.05435	5.3
214.76198	0.5
235.36652	0.5
243.03032	0.7
262.89865	0.5
271.02490	12.5
271.05411	0.9
272.02640	0.5
299.01996	26.5
300.02524	3.1
301.03537	6.3
309.06165	8.1
393.24350	0.5
433.07785	1.7
446.08600	11.3
447.09125	3.3
579.13593	45.2
580.14093	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	887.2254
Annotation	Kaempferol 3-apioside-7-rhamnosyl-(1->6)-(2''-(E)-caffeoylglactoside)
Peak:m/z	Relative Intensity
63.02382	0.4
65.00321	0.7
69.29409	1.5
69.29843	2.0
71.01382	2.9
73.02953	3.9
75.48973	0.4
83.01400	1.5
85.02969	2.1
87.00856	0.5
89.02436	0.5
93.03457	0.9
93.08282	0.4
98.19855	0.7
99.04539	0.5
101.02435	1.6
107.01408	1.2
109.02952	1.2
117.03465	1.1
121.02956	0.5
125.02393	0.5
127.04054	1.7
132.02171	1.2
133.02960	23.1
134.03738	0.9
135.04532	14.2
137.02440	0.6
143.05038	0.5
145.02972	0.4
145.05083	2.6
147.04510	0.4
149.06105	1.7
151.00360	3.1
157.06589	0.4
159.04567	0.7
161.02454	74.7
161.44536	0.4
162.02789	3.2
163.00414	0.6
169.06595	1.1
175.03957	0.5
177.05589	3.4
179.03514	16.4
180.03853	0.9
183.04463	0.4
185.06068	1.4
187.04056	0.7
203.03488	1.0
211.04074	0.9
213.05580	0.9
214.02533	0.5
215.03555	0.6
221.04549	6.2
227.03514	34.4
228.03854	2.5
229.05077	1.2
230.05542	0.4
239.03508	0.7
240.04022	0.5
243.02922	1.0
251.05579	2.5
251.45270	0.4
255.02994	49.0
256.03610	6.4
257.04492	1.0
266.01700	0.4
280.06052	0.8
281.06635	5.3
282.06992	0.5
283.02457	0.8
284.03268	51.2
285.04037	100.0
286.04388	7.1
293.44852	0.4
323.07791	3.5
327.05225	0.5
340.71820	0.4
341.08798	1.4
411.62872	0.4
417.08276	39.1
418.08762	3.6
469.13498	87.3
470.13821	8.8
601.17749	2.4
755.18286	42.6
756.18671	7.8
887.23114	2.9
888.22876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.4
70.24594	1.2
71.01398	3.4
71.94143	0.4
73.02949	3.2
83.01389	0.7
85.02943	1.7
87.00930	0.4
88.26723	0.4
89.02438	0.5
93.03461	0.7
98.20590	0.6
99.00862	0.7
101.02447	1.6
105.03458	0.4
107.01373	0.8
109.02926	0.6
109.37883	0.4
113.02430	0.9
115.00317	0.4
117.03489	0.9
120.01253	0.6
127.04034	1.2
132.02235	1.0
133.01395	1.5
133.02959	22.0
134.03728	1.2
135.04536	12.5
136.04900	0.5
145.05054	2.9
147.04607	0.5
149.02638	0.5
149.06041	1.0
151.00420	2.5
161.02454	69.2
162.02757	3.3
163.04057	0.6
171.04436	0.5
175.03972	0.6
177.05577	3.5
179.03499	13.5
180.03854	0.7
185.06088	0.7
187.03900	0.4
193.04979	1.2
211.03908	0.8
213.05649	0.8
221.04538	5.3
227.03516	28.8
228.03819	1.8
229.05016	1.2
239.03372	0.8
243.02908	0.7
251.05545	2.2
252.06010	0.4
252.30676	0.4
255.02992	39.7
256.03592	5.6
257.04517	0.9
269.04489	0.8
275.09061	0.5
281.06674	5.9
283.02576	0.6
284.03268	40.3
285.04037	61.6
286.04379	4.0
323.07709	3.1
327.04855	0.6
333.68427	0.5
341.08749	1.0
409.11932	0.7
417.08282	33.9
418.08585	3.4
451.23746	0.5
469.13519	100.0
470.13785	10.1
601.17755	1.8
660.57428	0.5
755.18353	23.3
756.18408	5.4
887.22382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53011	0.4
71.01392	3.0
71.59954	0.6
73.52386	0.4
73.55444	0.4
77.03976	2.0
89.03965	0.9
95.05033	5.3
105.03467	19.2
109.02969	0.5
115.00369	2.5
121.02898	0.6
123.04541	2.9
132.02179	0.6
133.02966	100.0
134.03232	3.7
149.02484	0.4
150.23076	0.4
151.03983	1.3
159.04469	0.4
161.02451	0.8
161.06046	1.0
164.01875	0.4
177.01942	71.9
178.02295	3.1
193.05080	1.6
195.02986	1.8
205.05159	0.4
243.47507	0.5
247.12811	0.4
255.03046	0.6
279.79767	0.5
283.02481	1.2
284.03253	0.7
285.04123	1.2
293.03082	4.8
294.03128	0.5
299.01889	0.5
301.03525	0.6
313.66327	0.4
374.62387	0.4
417.08057	0.6
563.14258	1.4
593.15015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2465
Annotation	Kaempferol 3-rhamnosyl-(1->3)(4'''-p-coumarylrhamnosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
63.02405	0.3
65.00327	0.3
66.99496	0.2
70.05048	0.7
75.19443	0.2
75.53706	0.2
83.01396	0.4
93.03458	0.5
93.90233	0.2
107.01387	0.4
117.03493	1.0
119.05048	0.4
137.02455	0.2
143.04967	0.2
145.02962	2.4
145.05057	0.2
151.00383	1.5
154.04268	0.2
155.05058	0.3
159.04524	0.4
160.21861	0.2
163.00450	0.3
163.04019	0.5
167.04999	0.2
169.06572	0.4
171.04524	0.5
183.04497	0.3
185.06071	0.6
187.03972	0.6
199.03989	0.2
205.05170	0.2
211.04041	0.8
213.05565	0.6
214.02602	0.2
215.03677	0.3
227.03513	14.1
228.03773	0.9
229.05003	1.0
239.03549	0.8
241.05182	0.3
243.03011	0.3
255.02997	19.7
256.03629	3.0
257.04474	0.8
283.02487	2.0
284.03271	21.6
285.04047	100.0
286.04395	7.0
286.07663	0.3
327.05283	0.3
361.88806	0.2
431.09830	27.4
432.10205	3.5
453.14026	4.6
454.14447	0.5
467.12573	0.3
596.74542	0.2
619.83936	0.2
708.65692	0.2
739.18738	6.5
740.19104	1.7
790.71509	0.2
885.24847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2465
Annotation	Kaempferol 3-rhamnosyl-(1->3)(4'''-p-coumarylrhamnosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
63.02408	0.3
65.00327	0.2
69.39666	1.6
69.40704	0.2
71.46657	0.2
78.95925	0.2
83.01388	0.4
93.03468	0.4
96.96009	0.3
98.19888	0.4
102.45465	0.2
107.01387	0.6
109.02957	0.3
117.03468	1.2
118.93136	0.2
119.05020	0.6
125.02397	0.3
135.00970	0.3
143.04968	0.3
145.02986	3.5
151.00380	1.4
153.01938	0.3
154.04280	0.3
158.17117	0.2
159.04527	0.3
161.02440	0.2
161.06140	0.2
163.00381	0.4
163.04001	0.7
164.01082	0.2
169.01520	0.2
169.06551	0.2
171.04514	0.5
175.41420	0.2
178.99716	0.2
183.04549	0.4
185.06062	0.8
187.04039	0.6
199.03955	0.3
211.04015	0.5
213.05595	0.4
214.02557	0.3
215.03546	0.3
227.03510	22.0
228.03838	1.5
229.05054	1.2
239.03540	0.5
241.05188	0.4
243.02933	0.3
255.03000	28.9
256.03604	4.2
257.04553	0.7
265.07239	0.5
275.09491	0.2
283.02563	2.1
284.03284	29.8
285.04053	100.0
286.04413	7.4
286.07678	0.3
327.05200	0.3
356.03180	0.2
431.09845	48.4
432.10190	5.0
453.13977	5.9
454.14355	0.8
544.26965	0.2
678.44458	0.3
739.18933	4.6
740.19073	1.2
793.81958	0.2
885.25427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96233	1.2
68.60595	1.3
69.03455	1.4
70.78683	1.2
71.01384	9.9
71.59583	1.4
73.02961	2.0
74.07805	1.0
75.76849	1.0
78.98606	7.5
79.95744	22.0
80.96522	100.0
85.02945	2.5
87.00874	3.8
90.04170	1.3
94.98087	21.3
96.96031	1.2
97.02961	2.5
100.39500	1.2
101.02438	3.2
106.98095	4.0
122.97597	6.5
125.02442	3.9
127.03961	1.6
134.97606	8.0
136.99170	1.7
143.38577	1.1
148.99124	9.6
152.98634	8.0
164.98636	17.7
206.99710	3.8
225.00746	27.5
255.23381	2.6
278.57587	1.2
280.78857	1.0
379.85696	1.1
451.12683	1.0
537.27411	1.7
612.39551	1.2
709.39026	1.4
798.42413	1.2
879.51239	93.2
880.51544	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	875.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50625	2.1
69.51049	1.7
71.01387	13.5
72.32050	0.6
72.99309	2.1
86.40253	0.6
89.02473	1.1
93.03485	0.6
95.05039	1.4
96.96027	1.4
105.03455	5.2
106.03804	1.0
115.00381	35.2
116.00703	0.7
119.05042	7.0
123.04536	1.1
133.01443	100.0
133.02930	23.0
134.01819	2.4
134.03285	7.1
135.03555	1.0
135.04535	14.7
151.00420	0.9
151.04041	0.5
156.34254	0.5
157.31662	0.5
163.04008	9.3
164.04456	0.7
167.02145	0.8
177.01939	17.1
178.02274	6.3
179.03577	17.2
180.03891	1.0
199.04092	0.5
229.04933	0.5
243.03096	0.7
248.28629	0.5
271.02463	7.2
279.05185	1.5
295.04590	4.9
295.08237	1.0
299.01987	15.3
300.02576	2.5
301.03482	3.9
315.01636	1.0
316.02274	0.9
317.02594	0.6
335.82867	0.5
433.07611	0.9
446.08582	6.1
447.09302	1.6
579.13580	24.6
580.13745	3.8
595.12805	3.6
596.13763	0.7
755.00897	0.6
759.28033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00993	0.6
71.01391	13.1
72.99311	1.7
77.03964	0.5
80.96964	0.3
83.67860	0.3
87.00883	0.8
89.02470	1.5
95.05035	0.8
105.03468	2.8
106.32337	0.3
115.00382	32.9
116.00734	0.9
116.92858	0.9
117.03487	0.3
119.05036	27.0
120.05365	0.9
125.02633	0.3
133.01445	100.0
133.02913	14.9
134.01791	2.1
134.03326	0.7
163.04018	34.9
164.04318	1.7
177.01942	12.2
178.02249	0.6
225.83293	0.3
239.05093	0.3
279.05066	4.7
283.02313	0.4
293.02933	0.3
299.01913	0.2
315.20203	0.3
326.22232	0.2
794.58197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58293	7.6
71.01383	17.1
72.99318	2.2
89.02462	1.2
109.21510	1.1
115.00379	34.5
117.03470	2.7
119.05012	3.6
133.01440	97.1
134.03746	77.7
134.55937	1.0
135.04086	3.0
149.06071	4.9
155.28590	1.1
163.03993	7.6
178.02768	2.6
193.05060	100.0
194.05446	4.7
299.01981	1.8
301.03491	1.5
309.06189	11.0
593.14996	4.5
655.58044	1.0
741.48950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82631	0.1
69.26006	1.6
71.01385	12.7
72.99310	0.7
75.95406	0.2
77.14281	0.2
87.00885	0.2
89.02446	0.4
93.03484	0.3
100.05199	0.2
115.00377	13.3
116.00709	0.4
119.05031	45.9
120.05390	1.9
128.38338	0.2
133.01437	28.7
134.01768	0.6
135.04562	0.2
146.65700	0.2
163.04013	100.0
164.04349	4.2
176.21223	0.2
193.05017	0.2
207.11989	0.2
219.29831	0.2
222.23282	0.1
279.05099	6.6
280.05499	0.4
283.02481	0.4
285.04047	0.7
593.15027	0.6
845.12750	0.2
859.86566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02391	0.4
65.00314	0.3
71.20579	0.4
73.02953	0.2
83.01367	0.4
85.02948	0.4
88.52411	0.2
93.03452	0.4
95.19981	0.2
100.20525	0.2
105.16063	0.2
107.01392	0.7
108.02145	0.3
109.02904	0.3
115.00380	0.7
117.03495	1.3
119.05047	0.5
125.02441	0.3
127.05148	0.2
133.01413	1.0
134.03729	0.3
135.04474	0.3
139.09825	0.2
145.02983	2.9
151.00420	1.6
154.04195	0.3
157.06529	0.4
163.00342	0.5
163.04042	0.7
169.01431	0.3
169.06612	0.3
171.04559	0.4
178.99957	0.4
183.04512	0.4
185.06157	0.5
187.04022	0.4
196.25932	0.2
211.04007	0.6
213.05544	0.5
215.03622	0.3
227.03505	25.1
228.03819	1.9
229.05101	0.8
239.03642	0.4
243.03004	0.4
255.02988	35.9
256.03555	4.7
257.04440	0.6
264.40860	0.3
265.07196	0.3
274.06860	0.3
283.02472	2.1
284.03275	40.4
285.04044	100.0
286.04407	8.1
327.05289	0.5
417.08289	60.7
418.08624	6.5
453.14063	5.6
454.14368	0.8
608.13287	0.3
638.16949	0.3
739.18628	4.6
740.19330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99770	0.2
63.02400	0.3
63.98408	0.2
65.00311	0.3
69.58951	1.3
73.02977	0.3
83.01384	0.4
93.03469	0.6
98.20659	0.4
107.01389	0.7
117.03475	1.2
119.05027	0.6
137.02412	0.3
143.05054	0.3
145.02945	2.2
151.00388	1.5
154.04221	0.4
159.04530	0.5
161.02469	0.3
163.04114	0.4
169.06551	0.5
171.04541	0.5
178.99934	0.2
183.04507	0.2
185.06017	0.5
187.03996	0.3
201.05516	0.3
211.03889	0.6
213.05527	0.5
214.02803	0.3
227.03500	15.5
228.03894	1.3
229.05014	0.7
239.03510	0.6
243.02945	0.3
248.06593	0.2
255.02986	21.1
256.03607	3.2
257.04507	0.6
269.04269	0.2
283.02530	2.2
284.03259	23.3
285.04041	100.0
286.04391	8.4
299.05789	0.2
375.57303	0.2
417.08276	27.7
418.08597	3.2
453.07901	0.3
453.14099	4.7
454.14328	0.6
619.98602	0.3
654.32507	0.2
727.64154	0.2
739.18842	6.7
740.19336	1.6
834.61121	0.2
871.24097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	44.8
71.01386	9.3
85.02965	3.0
87.00918	5.3
89.02468	7.8
97.02988	6.9
97.06608	5.0
99.04510	2.9
100.48920	2.6
101.02448	6.5
102.05634	4.8
107.05090	3.4
111.08204	4.5
111.60782	2.9
113.02415	3.5
115.00450	3.8
116.92880	10.1
125.09751	5.6
134.04724	5.7
137.09727	6.4
143.07207	4.1
146.04630	12.5
161.04529	4.0
165.12860	6.0
169.08598	3.6
171.10286	6.6
174.44278	3.1
175.02441	4.9
177.50761	2.8
197.11844	21.7
198.12109	2.9
209.11876	7.8
211.13387	21.4
219.17506	6.6
247.20900	2.6
247.46054	2.6
253.09288	33.1
263.16544	15.6
277.21695	11.7
281.17578	36.6
291.19711	42.8
309.20740	100.0
310.21121	7.8
341.23193	4.6
342.24036	2.8
397.13617	9.3
429.08966	2.9
481.71939	3.4
545.29620	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	867.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	6.4
64.98449	2.2
71.01392	18.6
72.99346	2.1
80.96540	3.4
85.02962	7.8
87.00872	5.6
88.98811	6.2
89.02449	18.0
95.01379	3.6
101.02462	14.2
104.79720	1.9
113.02437	5.7
119.03485	5.2
125.02420	8.5
161.04535	2.9
171.10269	100.0
179.05582	2.8
225.00839	2.2
235.08183	7.3
255.23306	70.1
256.23611	5.0
271.52209	2.5
275.55301	2.0
287.07742	3.4
298.25308	2.9
311.99283	2.4
338.93390	2.4
361.11505	2.6
379.12454	19.1
397.13467	45.8
398.13654	3.8
415.14542	6.8
415.30203	2.4
551.23572	5.9
569.24933	3.4
635.36804	2.9
653.37140	7.4
867.47217	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	863.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96234	1.8
67.17535	0.8
71.01391	9.1
73.02948	2.5
78.95921	4.0
78.98591	7.5
79.95744	19.3
80.96522	95.3
82.96101	1.7
85.02952	3.0
87.00869	2.7
92.63385	0.7
94.98094	21.6
96.96010	2.1
97.02953	2.4
101.02458	3.9
106.98112	3.5
110.14635	0.8
111.46748	0.8
122.97557	4.2
125.02448	4.0
127.03973	1.5
134.97589	7.0
136.99150	2.2
144.64427	0.8
148.99156	7.3
149.14671	0.7
152.98618	6.2
152.99625	1.1
164.98642	14.9
185.52216	0.8
206.99681	2.6
225.00761	22.3
226.00987	0.8
241.01134	2.1
255.23193	4.9
492.38513	0.8
537.27271	2.3
607.24463	1.5
813.85638	0.8
863.48328	100.0
864.48792	28.9
864.65643	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	2.5
70.89400	1.6
70.89755	3.3
71.01385	39.6
73.02964	3.4
83.01384	6.4
83.05019	1.6
85.02966	4.4
93.03445	2.4
97.02934	2.1
101.02449	3.8
108.83327	1.2
113.02445	4.3
114.99645	2.3
115.00387	27.8
121.02962	8.3
121.06560	1.5
122.03723	7.8
123.04503	2.4
123.08159	1.6
125.02432	1.4
131.45660	1.5
133.01453	2.8
133.10277	1.9
134.03712	1.9
134.29027	1.2
135.04541	2.6
135.11801	17.7
136.01669	3.4
146.03751	20.4
146.07343	2.0
147.04459	1.5
149.02443	57.6
149.06023	1.6
150.03236	44.8
151.04004	3.1
151.62177	1.4
153.01141	1.3
159.11804	2.7
161.04718	1.4
161.06094	5.6
161.09705	12.2
163.07640	3.4
164.04803	24.2
165.05566	50.6
166.05919	2.6
177.12749	1.6
179.03607	1.3
179.07184	37.5
179.10782	100.0
180.04243	3.2
180.07466	2.5
180.11127	5.4
185.09656	1.4
195.06636	29.7
201.12924	2.3
203.10843	6.7
205.08647	4.2
215.10780	1.5
221.11713	1.7
223.09741	11.6
229.08694	6.3
231.10184	2.7
245.11870	3.5
247.09813	4.6
265.10849	2.8
267.06564	2.4
268.07324	2.6
282.09131	2.1
283.09760	2.3
289.10794	5.9
297.07867	2.3
297.11313	5.0
307.11807	4.2
312.06763	2.3
312.10043	23.7
313.10449	3.5
323.14941	5.0
327.12366	69.3
328.12717	6.7
357.13278	2.4
367.13971	84.0
368.14288	9.8
375.14502	23.6
376.15033	2.7
525.24628	1.5
563.21265	5.9
725.28571	2.0
743.29205	38.8
744.29889	12.1
859.35883	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	859.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	1.8
63.96243	1.8
71.01382	41.3
71.60323	2.2
73.02945	4.7
77.03947	1.9
80.59310	1.9
83.01384	10.6
85.02969	3.9
87.04501	2.9
89.02438	2.3
92.97570	1.8
95.05034	4.1
96.96007	6.8
97.02961	3.5
101.02470	4.3
107.05037	2.7
109.02957	6.5
113.02480	3.6
115.00376	42.9
121.02959	7.8
122.03732	7.8
123.04482	2.2
133.01454	6.6
133.10211	2.3
135.04573	3.4
135.11803	17.7
136.01675	7.5
146.03735	26.3
147.04515	3.0
149.02443	60.9
150.03235	62.2
151.03906	7.9
159.08147	3.2
159.11830	5.1
161.04755	1.9
161.06068	7.6
161.09731	14.3
164.04774	25.6
165.05583	67.2
166.05989	3.4
175.11218	2.9
176.04752	2.5
179.07173	38.1
179.10773	100.0
180.04312	4.2
180.11119	5.3
185.09668	5.0
189.12918	2.5
191.07152	4.6
195.06631	36.0
196.06908	2.8
197.04622	1.8
201.12833	3.7
203.10777	7.6
205.08710	2.9
221.11812	5.2
223.09642	13.0
229.08629	9.0
245.11754	2.7
247.09798	6.2
267.06567	9.1
268.07230	2.5
279.06491	2.9
280.07443	2.7
282.08984	5.7
283.09521	2.9
289.10825	7.7
297.08102	3.7
297.11331	19.5
298.11813	3.2
307.11829	5.9
312.10068	28.7
313.10568	2.9
323.14920	5.1
327.12360	89.3
328.12579	7.4
345.13394	8.5
357.13477	3.8
367.13928	85.0
368.14304	7.2
375.14450	30.4
376.14868	4.7
563.21100	6.0
725.27979	5.9
743.29260	81.6
744.29700	21.2
784.23865	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	859.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	1.8
63.96243	1.8
71.01382	41.3
71.60323	2.2
73.02945	4.7
77.03947	1.9
80.59310	1.9
83.01384	10.6
85.02969	3.9
87.04501	2.9
89.02438	2.3
92.97570	1.8
95.05034	4.1
96.96007	6.8
97.02961	3.5
101.02470	4.3
107.05037	2.7
109.02957	6.5
113.02480	3.6
115.00376	42.9
121.02959	7.8
122.03732	7.8
123.04482	2.2
133.01454	6.6
133.10211	2.3
135.04573	3.4
135.11803	17.7
136.01675	7.5
146.03735	26.3
147.04515	3.0
149.02443	60.9
150.03235	62.2
151.03906	7.9
159.08147	3.2
159.11830	5.1
161.04755	1.9
161.06068	7.6
161.09731	14.3
164.04774	25.6
165.05583	67.2
166.05989	3.4
175.11218	2.9
176.04752	2.5
179.07173	38.1
179.10773	100.0
180.04312	4.2
180.11119	5.3
185.09668	5.0
189.12918	2.5
191.07152	4.6
195.06631	36.0
196.06908	2.8
197.04622	1.8
201.12833	3.7
203.10777	7.6
205.08710	2.9
221.11812	5.2
223.09642	13.0
229.08629	9.0
245.11754	2.7
247.09798	6.2
267.06567	9.1
268.07230	2.5
279.06491	2.9
280.07443	2.7
282.08984	5.7
283.09521	2.9
289.10825	7.7
297.08102	3.7
297.11331	19.5
298.11813	3.2
307.11829	5.9
312.10068	28.7
313.10568	2.9
323.14920	5.1
327.12360	89.3
328.12579	7.4
345.13394	8.5
357.13477	3.8
367.13928	85.0
368.14304	7.2
375.14450	30.4
376.14868	4.7
563.21100	6.0
725.27979	5.9
743.29260	81.6
744.29700	21.2
784.23865	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	859.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
68.12782	0.3
71.01388	17.9
71.59912	0.3
72.99313	1.4
87.00894	0.4
89.02464	1.2
89.33369	0.3
93.03475	0.3
96.71201	0.3
115.00382	29.2
116.00739	0.4
117.03474	0.4
119.05036	50.8
120.05380	2.4
133.01442	83.0
134.01797	1.5
134.03767	0.6
163.04021	100.0
164.04349	5.6
190.10854	0.3
193.05124	0.8
231.74185	0.3
255.02892	0.4
279.05099	10.2
280.05478	0.7
283.02545	0.7
482.78357	0.3
537.70789	0.3
579.13782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89663	0.2
69.90051	0.3
71.01385	11.6
72.01727	0.2
72.99316	1.9
87.00880	0.4
89.02455	1.5
91.12612	0.1
93.03476	0.2
109.02962	0.2
115.00380	31.0
116.00680	0.6
119.05032	23.0
120.05375	1.1
133.01440	100.0
134.01778	2.0
135.04581	0.1
150.06238	0.1
151.00400	0.6
163.04015	27.8
164.04355	1.4
199.03998	0.3
211.93068	0.1
227.03540	0.3
229.05087	0.2
243.02943	0.5
255.02983	0.3
271.02493	7.3
272.02850	0.5
279.05112	5.6
280.05426	0.4
299.01987	15.5
300.02478	2.1
301.03491	4.0
302.04001	0.2
433.07770	1.1
446.08551	6.3
447.09052	1.7
448.09607	0.1
520.73877	0.1
579.13562	23.0
580.13934	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	858.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
64.14353	0.2
69.09476	0.2
70.51651	0.9
84.70610	0.2
87.50471	0.2
89.35538	0.2
91.00058	0.3
116.92882	0.8
194.84174	0.3
209.62302	0.3
692.67426	0.3
756.28113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94510	0.5
71.01390	18.2
71.40771	0.5
71.59914	0.7
72.99329	1.3
87.00912	0.9
89.02466	1.5
93.03444	0.6
115.00380	31.6
116.00747	0.5
116.08812	0.5
119.05033	48.8
120.01275	6.7
120.05387	2.1
133.01442	88.5
134.01790	2.1
142.88387	0.5
163.04019	100.0
164.04332	5.2
165.34244	0.5
255.03043	1.0
279.05136	8.1
283.02545	1.8
284.02887	0.7
285.04037	3.1
303.38190	0.5
397.72879	0.5
431.09778	1.5
432.09772	0.6
577.16028	3.2
578.15857	0.8
622.63483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.79890	6.1
71.01395	3.4
78.95914	1.9
80.96525	3.4
84.67083	1.1
85.02962	3.0
89.02441	2.2
91.19145	1.3
98.19834	1.4
101.02452	2.0
106.05373	1.2
113.02505	1.5
141.89302	1.1
162.64809	1.2
171.10292	9.3
211.13426	2.7
225.00917	1.7
229.14455	1.7
235.08264	1.9
249.18561	15.9
250.18979	1.3
253.09235	8.8
254.09552	1.1
277.21646	6.3
291.19849	2.2
309.20715	6.9
327.21762	20.2
328.22058	1.1
392.21945	1.1
545.29932	2.3
549.00647	1.3
563.30957	2.5
678.56152	1.4
739.80133	1.5
765.10632	1.4
855.45691	1.3
856.44690	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	4.0
63.20999	1.0
63.96249	1.6
69.03456	1.6
71.01386	8.3
71.48206	1.1
73.02951	2.6
75.35929	1.1
78.95919	3.8
78.98591	6.6
79.95744	27.2
80.96523	100.0
85.02958	3.8
87.00884	3.7
94.98088	22.3
96.96037	2.0
97.02922	1.4
98.19837	2.8
99.04530	1.5
101.02415	2.9
106.98066	3.6
107.65825	1.1
117.53642	1.2
122.97579	3.9
125.02436	3.3
134.97609	5.9
136.99196	1.8
144.56404	1.1
148.99144	8.0
152.11093	1.2
152.98625	5.5
162.03909	1.4
164.98631	12.4
206.99686	4.0
212.50836	1.2
225.00743	20.1
229.36781	1.3
368.26361	1.2
575.25385	1.5
853.47754	96.2
854.48065	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39447	0.8
61.98830	9.1
65.00325	1.0
70.25755	3.1
78.95931	0.9
79.52635	0.8
82.76858	0.8
83.36285	0.7
86.34244	0.8
93.03436	1.3
98.20573	0.8
99.43914	0.9
105.91994	0.8
107.01382	0.8
117.03458	1.0
132.72105	0.8
151.00340	1.8
153.50641	0.9
159.04483	1.1
159.41641	0.8
159.51953	0.7
171.04442	1.0
183.04503	4.2
211.04013	2.8
211.13385	1.9
213.05405	1.6
227.03468	7.0
229.05008	1.8
249.18681	0.8
255.02994	51.1
256.03412	4.7
257.04489	2.4
283.02490	100.0
284.03027	16.6
285.04028	27.2
286.04443	1.8
332.40912	0.9
430.08984	15.5
431.09891	8.1
617.20001	0.9
652.08612	1.0
707.30731	13.9
708.30981	4.2
853.36517	41.1
854.36993	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	847.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	3.0
63.96230	2.2
69.03453	0.9
70.27711	1.8
71.01388	9.6
72.99291	0.7
73.02949	1.7
78.62559	0.4
78.98592	7.3
79.95276	0.7
79.95746	20.6
80.96523	100.0
81.03457	0.7
82.96109	0.9
85.02952	2.9
87.00880	3.3
94.98093	20.4
96.19376	0.5
96.96008	1.5
97.02972	1.5
99.00906	0.8
101.02442	3.4
106.98093	4.0
107.11062	0.5
122.97608	3.6
125.02445	3.7
127.03984	0.7
134.97586	6.2
136.99144	1.9
148.99146	6.9
152.98634	6.6
161.04562	0.6
164.98628	12.2
165.98999	0.5
167.00175	0.8
206.99759	3.1
207.01367	0.5
225.00757	18.3
226.00989	0.5
255.23279	1.1
354.54745	0.6
437.54559	0.6
537.27057	1.8
591.25476	1.3
731.29425	0.6
847.48822	87.8
848.49213	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.5
61.98819	6.6
69.43589	12.9
70.03366	1.5
71.01386	11.4
72.99295	2.8
73.02937	2.0
77.95340	1.6
79.20007	1.6
83.05044	2.2
85.02936	3.8
87.00855	2.8
89.02443	11.3
97.06608	14.0
101.02441	10.0
113.02451	5.7
116.92895	1.9
119.03483	2.4
123.08160	7.1
125.02412	2.0
125.09736	66.1
126.10062	2.1
169.08745	2.5
187.09778	33.7
277.21707	25.8
278.22308	1.9
397.13382	5.5
400.70142	1.7
785.18842	2.0
810.71729	1.9
845.45404	100.0
846.45953	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	847.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	15.4
71.60109	0.4
74.99089	0.3
89.03991	1.0
95.95230	0.8
96.96003	2.6
115.00378	5.8
117.03468	5.0
133.01454	2.1
134.03749	52.6
135.04083	1.8
137.02438	1.4
139.04008	0.4
149.06091	5.9
152.36328	0.3
163.04031	0.6
178.02730	5.4
179.03282	0.5
193.05066	100.0
194.05383	5.0
234.27794	0.4
240.54996	0.3
290.97699	0.3
309.06134	3.8
370.76987	0.3
475.37759	0.3
477.06284	1.4
479.06091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.3
61.98828	16.8
69.03445	1.8
71.01392	12.9
71.60918	1.7
73.02937	1.9
73.83104	1.3
83.05086	1.3
85.02943	3.0
87.00850	3.5
89.02448	10.0
97.02963	2.1
97.06587	14.2
99.00874	1.5
101.02454	9.4
113.02422	3.3
116.92852	3.0
119.03447	1.4
123.08173	7.9
125.02422	2.0
125.09727	94.7
126.10084	3.5
143.10788	1.3
152.99751	1.5
169.08731	2.5
179.05598	2.6
182.45508	1.2
187.09766	69.6
188.10048	2.9
221.06541	2.9
263.14944	1.3
277.21738	11.2
322.56152	1.5
371.01489	1.5
461.65726	1.3
463.60901	1.3
567.23071	2.5
585.23956	5.3
845.45392	100.0
846.45898	29.5
852.56464	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	845.418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	26.3
61.45816	4.0
61.98833	20.2
69.68831	4.1
71.01376	22.3
71.60574	6.5
76.70591	4.4
80.03967	4.9
85.02971	6.1
87.00864	7.4
89.02433	21.8
90.53447	4.4
91.47388	4.4
101.02444	21.9
109.90266	4.0
113.02477	9.0
116.92869	7.8
125.02443	6.1
146.04591	8.5
150.02304	7.0
156.09770	5.0
159.84239	4.4
325.25363	6.3
343.26422	6.8
350.45868	5.0
369.24765	5.4
387.25406	9.9
397.13525	9.8
405.26523	29.7
785.39648	100.0
786.39984	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	843.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.2
61.98832	4.3
65.79229	0.8
69.93418	3.9
71.01386	19.8
73.02950	1.0
73.49689	0.7
83.01400	3.1
83.04998	1.0
85.02959	2.2
89.02430	0.9
91.88776	0.8
96.95999	2.9
97.02957	1.4
101.02449	2.6
107.05051	0.9
108.50343	0.7
111.00909	0.8
111.04459	1.0
113.02460	2.3
115.00380	15.6
116.92873	1.2
121.02961	2.9
122.03715	1.7
123.04556	1.2
123.08174	0.9
124.01678	1.5
133.01402	1.5
135.04501	1.0
135.11824	4.8
136.05353	1.3
145.06668	0.9
147.04457	1.6
149.02426	1.8
150.03242	7.4
158.03741	2.8
159.04515	9.7
159.08151	0.9
159.11803	1.0
160.03931	1.4
160.05296	27.1
161.06067	8.6
161.09708	5.8
163.04028	6.3
164.04832	4.8
173.06058	3.1
175.02554	1.2
175.07639	24.2
175.11292	1.0
176.07990	2.1
177.05568	6.4
178.06378	5.4
179.10793	24.6
180.11148	2.0
185.09695	1.1
193.08722	3.4
201.12933	0.9
203.10753	2.8
205.08658	1.5
219.10027	0.9
223.09724	3.0
227.27394	0.9
229.08632	1.3
231.10300	1.2
247.09654	2.2
250.69189	0.9
275.09274	0.9
289.10834	1.5
299.25830	0.9
307.11963	1.5
314.11829	1.3
315.12372	2.4
323.15021	2.8
329.13940	100.0
330.14319	11.8
345.13300	1.8
359.14990	11.5
367.14008	14.6
368.14252	1.2
554.99072	1.1
577.69604	1.0
625.26617	1.6
727.29749	37.0
728.30139	11.0
749.98944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.2
61.98832	4.3
65.79229	0.8
69.93418	3.9
71.01386	19.8
73.02950	1.0
73.49689	0.7
83.01400	3.1
83.04998	1.0
85.02959	2.2
89.02430	0.9
91.88776	0.8
96.95999	2.9
97.02957	1.4
101.02449	2.6
107.05051	0.9
108.50343	0.7
111.00909	0.8
111.04459	1.0
113.02460	2.3
115.00380	15.6
116.92873	1.2
121.02961	2.9
122.03715	1.7
123.04556	1.2
123.08174	0.9
124.01678	1.5
133.01402	1.5
135.04501	1.0
135.11824	4.8
136.05353	1.3
145.06668	0.9
147.04457	1.6
149.02426	1.8
150.03242	7.4
158.03741	2.8
159.04515	9.7
159.08151	0.9
159.11803	1.0
160.03931	1.4
160.05296	27.1
161.06067	8.6
161.09708	5.8
163.04028	6.3
164.04832	4.8
173.06058	3.1
175.02554	1.2
175.07639	24.2
175.11292	1.0
176.07990	2.1
177.05568	6.4
178.06378	5.4
179.10793	24.6
180.11148	2.0
185.09695	1.1
193.08722	3.4
201.12933	0.9
203.10753	2.8
205.08658	1.5
219.10027	0.9
223.09724	3.0
227.27394	0.9
229.08632	1.3
231.10300	1.2
247.09654	2.2
250.69189	0.9
275.09274	0.9
289.10834	1.5
299.25830	0.9
307.11963	1.5
314.11829	1.3
315.12372	2.4
323.15021	2.8
329.13940	100.0
330.14319	11.8
345.13300	1.8
359.14990	11.5
367.14008	14.6
368.14252	1.2
554.99072	1.1
577.69604	1.0
625.26617	1.6
727.29749	37.0
728.30139	11.0
749.98944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.0
61.98823	17.2
70.12070	8.2
70.37506	1.9
71.01387	78.6
72.14686	2.0
73.02955	9.9
83.01403	14.0
83.05026	2.6
85.02934	11.5
87.00876	3.1
87.04503	2.2
89.02451	5.8
95.01379	4.1
95.05019	2.8
96.96015	4.4
97.02965	7.0
97.31053	2.3
99.00873	3.1
101.02457	17.4
105.07093	2.8
107.04967	1.9
111.00878	2.2
111.04518	3.3
113.02456	15.8
115.00382	40.2
116.00789	2.2
116.92835	4.7
118.30300	1.8
121.02921	6.8
123.04543	2.7
125.02444	6.7
131.66422	2.3
133.01392	3.5
133.02951	4.2
134.03740	14.0
135.04575	5.0
135.11832	16.9
143.03520	2.1
159.08061	2.5
159.11819	3.7
161.04555	3.8
161.09746	12.3
162.03258	4.8
163.03989	3.2
175.03976	7.3
179.10796	95.1
180.11078	2.2
190.06281	3.6
199.11359	2.7
201.12895	2.8
201.61995	2.2
203.10820	12.4
205.08755	3.8
221.11873	3.0
222.05275	6.9
223.09668	14.3
229.08640	7.1
231.10341	13.3
233.35728	2.4
245.11958	4.4
247.09772	5.4
250.06235	2.7
251.07033	2.7
253.08870	4.9
263.07120	5.8
265.10849	4.6
267.06442	3.8
268.10873	2.9
269.08139	7.4
275.09290	42.9
278.09216	2.5
279.06619	6.5
281.08221	16.5
282.08768	2.8
283.09702	3.9
289.10986	10.7
291.06552	4.0
293.08151	6.1
294.08920	7.3
296.10355	2.5
297.07788	31.5
298.07776	2.7
307.11807	7.0
308.10489	3.1
309.07651	56.0
309.11215	13.3
310.08054	7.9
311.09067	2.3
312.10059	30.0
313.10425	2.2
323.09225	11.9
323.14963	5.0
324.10004	37.1
325.10626	5.0
327.12375	100.0
328.12778	13.2
339.12372	93.0
339.25198	2.2
340.12622	9.0
362.25946	2.4
367.13937	85.9
368.14224	10.8
381.87112	2.3
426.08826	2.1
489.34198	4.3
507.35245	3.9
528.81250	2.5
633.38403	14.0
651.39587	21.7
652.40234	2.6
669.40918	5.7
693.40607	8.5
694.40546	2.7
711.41711	11.8
725.28241	72.4
726.28253	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	2.9
59.01381	41.4
61.98836	12.0
69.03468	2.5
71.01387	77.1
72.01735	1.7
72.99299	3.1
73.02962	8.8
83.01382	13.6
83.05019	1.8
85.02949	11.6
87.00881	2.1
89.02468	5.0
92.17548	1.5
93.03478	1.6
95.01416	3.5
96.96022	4.6
97.02934	4.2
98.19834	3.2
99.00917	2.6
101.02449	12.0
107.05047	2.6
107.65398	1.5
113.02477	14.2
115.00376	38.9
115.04079	1.6
116.92844	4.1
121.02977	5.6
123.04567	2.3
125.02448	6.0
133.01453	3.0
133.02954	7.0
134.03778	12.2
135.04532	4.5
135.11818	17.8
143.03453	2.5
145.02934	3.3
149.06082	2.3
159.08165	2.3
159.11752	1.9
161.02435	1.6
161.04599	3.7
161.09718	12.8
162.03223	5.7
163.03966	2.5
175.04016	7.1
177.01999	3.1
179.10780	95.0
180.11104	6.4
185.09740	2.2
187.93690	1.6
190.06404	4.5
201.12968	2.6
203.07027	1.8
203.10797	9.5
205.08714	3.0
221.11963	4.0
222.05302	4.4
223.09724	11.7
229.08702	5.1
231.10229	15.7
233.06165	2.1
235.07718	1.6
245.11688	3.4
247.09810	6.2
251.07130	3.1
253.08743	2.9
261.05664	1.5
263.07111	7.1
265.10757	3.8
267.06552	2.7
269.08249	7.6
275.09283	54.5
276.09625	3.9
278.05939	1.6
278.09604	1.9
279.06677	5.1
281.08139	12.6
282.08652	2.4
283.09653	3.1
289.10861	9.0
291.06641	3.5
292.07303	1.9
293.08197	3.3
294.08942	6.2
295.09875	2.3
296.10355	3.9
297.07703	30.9
297.11023	3.7
298.08026	4.8
307.11951	4.9
308.10452	3.9
309.07681	55.7
309.11322	13.9
310.08133	3.5
311.09222	2.0
312.10074	34.8
313.10483	3.9
323.09268	11.0
323.14987	4.8
324.10037	37.1
325.10446	5.8
327.12375	100.0
328.12766	9.8
339.12360	88.7
340.12732	8.0
367.13953	92.8
368.14432	8.4
391.10254	3.3
440.21390	1.8
489.34586	2.4
534.39154	1.7
633.38416	13.4
634.39044	1.9
634.95490	1.7
651.39276	19.3
669.40765	4.9
693.40839	8.1
711.41412	11.1
725.28137	65.4
726.28497	15.7
821.31665	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	839.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98835	2.9
66.70689	1.0
69.03441	2.0
69.46200	6.2
70.94184	1.0
71.01386	44.1
72.99307	3.9
73.02946	10.7
76.23248	1.0
79.15322	1.0
81.03475	1.6
82.03200	1.0
83.01390	9.5
85.02957	22.7
87.00857	5.4
89.02434	8.4
95.01376	5.8
97.02945	3.4
98.19926	2.2
99.00878	6.7
101.02450	25.2
111.00865	4.4
111.08150	1.4
112.01660	1.9
113.02456	23.3
119.03503	2.9
124.01649	2.7
125.02459	9.7
134.03743	1.7
143.03520	5.1
159.02951	1.1
161.04555	6.6
179.05655	1.3
198.78699	1.1
209.65919	1.1
213.18564	2.3
231.10495	1.4
275.09232	2.5
325.27313	1.2
343.28305	1.7
357.22787	2.5
371.15460	1.2
375.23892	3.1
469.31546	7.3
487.32715	22.0
488.32727	2.3
505.33984	6.7
529.33417	1.8
583.35419	1.5
613.35840	2.5
631.36975	35.7
632.37134	8.1
649.38055	58.6
650.38367	13.0
652.42175	1.2
667.39148	16.6
668.39429	2.0
691.39124	20.0
692.39404	4.4
709.40204	35.7
710.40784	7.3
751.41290	6.5
752.41229	1.9
868.83881	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
65.87415	0.2
71.24339	0.2
71.24678	0.3
78.95929	0.3
98.12717	0.2
142.08600	0.2
165.99362	0.2
180.76376	0.2
277.21582	0.2
326.29388	0.2
552.62543	0.2
720.97095	0.2
841.46307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.4
61.98828	2.1
62.82484	0.6
69.74990	2.9
71.01397	6.8
72.99280	0.7
73.02933	1.4
79.95741	8.3
80.96529	4.2
83.01393	1.1
85.02944	3.0
87.00881	1.1
88.98827	0.7
89.02467	2.4
95.01362	0.8
95.95242	1.2
96.96017	100.0
97.02933	0.9
98.20517	1.0
98.95608	1.4
99.00844	0.9
101.02445	4.7
103.00382	4.6
108.04548	0.9
109.22595	0.6
111.00894	0.7
113.02431	1.9
115.00376	1.0
121.79411	0.6
126.69759	0.6
127.05164	1.4
128.03558	1.0
134.03796	0.7
134.06137	1.2
143.03474	0.8
145.06198	1.5
152.98624	1.3
161.04575	1.0
164.98618	2.7
171.10237	1.3
180.98155	1.2
183.77657	0.6
196.79326	0.7
199.13406	1.3
209.11826	1.4
211.13376	0.7
222.11369	0.9
227.12903	5.1
228.13150	0.6
229.14336	0.9
241.00220	1.4
250.26799	0.5
305.13763	0.6
397.13446	0.9
403.94406	0.6
433.57416	0.7
501.89548	0.6
524.54553	0.6
617.52374	0.6
632.87646	0.7
651.39862	0.8
710.95282	0.6
749.36316	26.3
750.36664	5.8
791.37598	17.9
792.38055	3.1
817.36029	1.0
835.36566	30.3
836.36652	6.8
859.39990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98528	0.2
71.46116	0.2
78.95937	0.3
79.95730	0.2
80.96520	0.9
195.53424	0.1
228.79611	0.1
277.21878	0.1
278.22192	0.1
278.86288	0.1
359.27533	0.1
615.92883	0.1
670.58856	0.2
837.48035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
60.26640	0.5
61.98519	1.0
61.98832	14.5
62.10341	0.5
63.96239	1.9
69.03461	0.9
71.01389	10.0
73.02951	1.8
73.72371	0.5
75.66288	0.4
78.98597	8.6
79.95741	17.8
80.96522	100.0
81.03472	0.7
85.02959	3.2
87.00884	2.8
94.97472	1.1
94.98090	21.6
95.01382	0.6
96.96011	1.6
97.02969	1.5
99.00854	0.7
101.02446	2.2
106.98094	3.5
113.02426	0.6
122.97596	4.5
125.02441	4.1
127.03980	1.3
134.97574	5.7
136.99127	1.1
148.99139	7.5
152.98647	6.3
164.98630	13.0
165.98987	0.7
167.00233	0.7
188.98683	0.6
206.99696	2.6
225.00743	15.8
227.46458	0.5
237.58051	0.5
239.27533	0.5
277.21713	1.8
559.25702	2.1
837.48291	82.7
838.48602	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98835	26.6
67.40205	1.9
71.01387	33.0
72.99301	5.7
73.02950	9.0
74.12346	1.9
78.60641	2.2
81.03439	1.9
83.01386	7.6
85.02952	17.5
87.00879	4.0
87.05463	2.0
89.02453	8.7
95.01366	3.2
96.96023	7.5
97.02961	2.5
99.00879	4.8
101.02462	15.6
113.02451	23.7
115.00378	3.1
119.03527	2.9
125.02444	9.0
143.03513	6.1
161.04581	3.2
164.16165	1.9
191.33313	2.3
204.19437	2.0
325.20309	3.0
329.30750	2.4
442.16028	2.4
473.34845	7.4
491.35928	5.1
575.94427	2.5
617.38977	27.9
618.39185	5.6
635.40186	48.8
636.40607	14.6
653.41241	13.1
654.41290	3.4
677.41254	17.5
678.41345	3.3
695.42181	28.4
696.42120	6.0
851.47742	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	831.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.8
62.96396	0.9
70.50813	1.5
71.01401	3.0
78.95909	82.7
78.98560	0.7
79.95740	2.6
80.96525	14.9
85.02895	0.6
90.94839	0.6
94.98064	2.5
96.96976	17.6
97.02942	0.8
122.97593	1.6
134.97589	1.3
134.98546	1.0
141.01729	1.8
144.49281	0.6
148.99191	0.7
152.99611	21.9
164.98598	1.7
176.81274	0.6
223.00179	7.8
225.00760	2.0
241.01205	32.4
255.23308	55.7
256.23605	4.5
259.02179	2.1
277.21741	35.3
277.24268	0.4
278.22150	3.5
281.16891	0.6
287.86887	0.7
297.03839	1.8
315.04642	0.8
391.22620	6.9
413.20920	1.4
553.28082	6.8
575.26440	0.8
831.50208	100.0
832.50519	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	835.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.7
58.97595	0.8
59.01374	3.7
61.98818	2.1
71.01389	45.7
76.60166	0.9
89.02439	0.8
96.96004	1.3
97.06585	5.2
101.02467	1.7
105.03451	1.3
113.02424	1.1
114.99646	1.4
115.00381	17.2
128.03606	1.2
129.01958	1.6
133.01434	0.8
133.02966	3.5
134.03751	85.9
135.04593	13.5
137.02486	1.1
145.06198	2.0
148.05315	6.5
152.51001	0.9
156.55190	0.9
163.07695	6.4
177.01915	6.4
178.02728	17.2
179.03323	3.1
201.54858	1.1
209.11752	0.9
227.12955	1.3
231.10435	4.0
275.09280	25.0
276.09750	2.3
306.07654	1.9
306.43539	0.8
307.11880	100.0
308.12265	9.5
423.12949	3.2
544.57056	1.0
618.84888	1.0
620.32556	0.9
643.29016	0.9
701.21185	2.0
840.33612	1.0
864.17883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98518	0.1
70.08747	0.4
73.47646	0.1
88.47117	0.1
100.42076	0.1
103.52641	0.1
115.92087	0.1
131.46965	0.1
144.74347	0.1
152.99675	0.1
226.05183	0.1
277.21698	0.1
427.99377	0.1
824.52026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.2
59.59554	1.7
60.51348	1.7
61.98834	11.2
62.17678	1.8
67.40891	1.8
71.01366	2.8
71.60504	2.3
78.95911	5.8
81.03508	4.1
83.01403	12.5
83.05021	3.4
95.05064	4.2
96.96028	2.3
97.02937	3.3
97.06596	9.0
104.23623	1.6
109.06632	3.3
121.06546	1.8
123.04534	8.0
123.08172	5.3
125.09727	17.4
125.68274	1.7
135.08202	3.3
137.09740	7.1
149.06075	3.2
152.99623	2.1
163.11285	14.1
165.12833	2.8
171.10345	3.3
177.12805	2.6
179.10770	2.2
181.12337	3.5
185.11824	10.7
191.10765	3.9
191.14424	12.9
207.10245	11.6
209.09848	4.3
209.11839	82.0
210.12164	2.6
211.13408	2.1
225.11322	6.2
242.08188	2.6
245.19122	32.5
246.19466	2.5
250.48169	1.8
263.20227	4.2
277.21732	88.1
278.21957	6.3
289.18118	100.0
290.18427	7.2
307.19159	87.2
308.19464	7.6
502.29419	39.0
503.29700	5.9
772.48352	2.2
808.38983	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	824.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04445	0.2
61.98834	100.0
71.09731	0.4
75.05670	0.2
78.95927	0.6
93.28746	0.2
133.40775	0.2
145.02301	0.2
225.26389	0.2
233.99680	0.3
331.82056	0.2
333.24445	1.0
394.76627	0.3
400.47006	0.3
464.57761	0.3
496.55527	0.3
804.58191	0.3
824.51288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98529	0.4
67.19936	0.3
69.89747	0.7
69.90150	0.6
72.78145	0.2
73.75632	0.2
78.95916	0.8
98.19943	0.3
103.58018	0.2
152.99684	0.3
196.89482	0.3
333.24362	0.4
361.48380	0.3
370.96487	0.3
387.87814	0.3
412.01532	0.3
678.21210	0.3
824.51007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	0.7
59.01373	2.7
61.98819	1.8
63.72148	0.6
69.40158	2.4
69.40601	2.8
71.01382	2.3
71.66698	0.6
73.02954	0.7
79.95701	0.7
81.03458	17.8
83.05025	44.8
84.05370	1.3
86.02495	0.6
96.96020	12.7
96.96963	0.8
100.07687	5.8
115.00347	2.5
120.01247	0.6
122.06014	0.7
124.36379	0.7
125.07216	0.7
128.03522	1.8
133.01424	1.8
143.04622	2.1
143.08322	0.8
146.04584	0.7
151.08733	0.7
163.77525	0.8
175.02510	1.5
199.18143	8.9
224.17596	1.3
225.16042	8.8
243.17126	21.6
269.15076	1.5
272.08841	0.8
301.11899	0.8
306.07736	3.1
309.21603	0.8
353.20792	4.5
451.32819	2.0
469.33936	12.1
470.34317	2.2
579.37439	3.0
695.50635	4.0
779.32977	0.8
780.31158	0.9
823.55475	100.0
824.55780	28.1
854.12689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	18.4
61.98833	33.4
69.26270	34.5
70.73936	2.8
71.01366	4.6
78.79529	3.2
78.95918	3.6
80.13071	3.6
94.84465	2.9
98.20634	7.4
101.02458	5.7
116.92852	4.1
121.10235	4.1
130.37697	3.2
131.51553	3.1
140.39522	3.2
154.12148	3.2
170.11366	3.2
171.10321	19.3
183.13901	4.7
221.12927	3.5
235.17105	18.5
249.18607	100.0
250.18927	12.2
253.09273	18.6
265.18088	3.6
266.69608	4.8
275.20169	58.6
277.21625	6.8
293.21243	62.1
294.21582	8.2
334.92374	3.3
677.40692	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	823.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	62.8
59.78097	4.3
61.98836	100.0
71.01395	23.4
71.60648	7.4
72.27300	4.6
84.66924	4.5
85.02933	20.6
87.00897	5.2
89.02462	7.1
91.43320	5.2
94.59556	4.2
96.96027	9.6
101.02435	12.2
113.02434	13.9
125.02441	6.5
137.39197	4.5
151.65491	4.9
161.04491	5.7
197.48480	4.6
367.99847	6.0
407.23074	6.2
471.33328	6.7
615.37207	13.8
619.81000	7.1
633.38690	36.2
634.39215	6.5
651.39917	9.6
675.39862	6.9
693.40436	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	821.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01384	100.0
61.98856	4.9
69.91821	0.8
71.01390	49.0
71.62772	1.0
72.99318	3.3
73.02955	18.3
75.00893	0.9
77.45992	0.8
83.01409	7.7
85.02959	13.8
87.00882	3.3
87.61668	1.0
89.02448	21.1
95.01402	4.8
96.96010	3.8
97.02957	0.9
99.00901	2.6
101.02453	23.5
102.02847	0.8
113.02462	33.8
115.00400	1.3
119.03523	6.7
124.01688	1.1
125.02460	4.0
126.03526	0.9
129.31503	0.8
130.63725	0.9
131.03482	2.0
134.03690	1.3
141.96410	0.9
143.03522	5.6
143.04468	1.0
144.61868	1.0
149.04579	2.4
155.03522	1.8
161.04576	10.2
162.03296	0.9
179.05592	4.7
203.05620	1.6
206.93567	0.9
221.06648	0.9
233.43829	0.9
263.65628	0.9
275.09189	4.5
354.34241	0.9
369.05997	1.1
387.24466	1.1
450.07471	1.0
469.31619	3.0
613.36029	8.7
614.36206	1.4
631.37061	29.7
632.37341	5.9
648.12604	1.1
649.38104	10.5
650.38324	1.4
673.38153	9.4
691.38971	15.9
692.39404	4.1
733.40381	1.3
821.40015	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	817.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01743	0.9
61.98840	6.3
70.46471	1.7
70.46870	1.4
71.01396	2.9
79.95742	1.1
80.96513	5.3
85.02995	0.7
89.02481	0.9
94.98108	0.9
96.99342	0.8
97.02959	1.5
97.77690	0.7
101.02451	2.1
101.85770	0.9
112.08974	0.7
113.02466	0.8
119.03520	0.9
124.97223	0.7
125.02486	0.8
136.86342	0.8
141.01712	55.6
142.02037	1.2
142.05132	1.8
153.01668	0.8
159.89423	0.8
161.04659	0.9
164.98625	0.8
225.00862	0.9
235.08127	1.3
277.21643	5.0
278.22757	0.9
300.99619	0.8
359.22076	3.3
397.13501	11.6
398.13596	1.1
409.00937	0.9
415.14725	2.2
419.11841	2.3
437.12881	3.2
469.06635	3.3
670.69159	0.8
675.35315	1.4
697.34625	1.3
716.19995	0.8
817.51288	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	817.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58914	0.6
69.68233	3.9
71.01385	16.5
72.01740	0.6
72.99301	1.8
79.89005	0.7
80.13290	0.6
80.24207	0.6
89.02440	0.8
98.20542	1.1
115.00375	22.5
119.05034	48.5
120.05394	1.7
133.01439	60.1
134.01799	1.3
153.80666	0.6
153.85928	0.6
163.04015	100.0
164.04362	5.8
175.57687	0.5
201.49329	0.7
233.21904	0.6
279.05106	6.4
655.77197	0.7
681.04865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01717	1.1
61.98833	6.6
65.40725	1.0
71.01389	3.2
71.45143	0.8
78.69296	0.8
79.95724	1.0
80.96507	5.1
85.02976	1.4
89.02441	2.9
94.98076	0.9
96.99332	1.4
97.02946	2.2
101.02422	2.6
101.81518	0.9
103.91994	0.9
104.92809	1.1
113.02426	1.4
120.01255	2.2
138.26958	0.9
141.01720	56.3
142.02065	1.5
142.05098	2.6
142.24803	0.8
166.16830	0.8
237.24542	0.8
277.21710	7.1
319.98105	0.9
359.22031	4.5
397.13620	9.5
398.13602	1.4
415.14612	2.8
419.11618	2.4
437.12860	3.4
469.06290	3.7
697.34296	1.6
817.50165	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	815.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.8
63.96240	1.8
65.23462	0.4
69.03471	1.1
69.49209	3.3
70.56091	0.4
71.01389	11.5
71.01768	1.0
73.02951	2.6
78.98599	7.7
79.95745	18.2
80.96523	100.0
81.03465	1.2
85.02963	3.7
86.99260	0.5
87.00887	3.4
87.01673	0.5
94.98096	21.6
96.96018	1.8
97.02954	2.0
101.02458	3.0
106.98098	3.9
107.69156	0.4
122.97597	4.2
125.02454	3.3
134.97585	6.8
136.99161	1.9
141.01714	0.5
148.99142	6.8
150.97131	0.5
152.98653	7.0
164.97278	0.9
164.98633	14.8
167.00153	0.6
179.00264	0.5
206.99692	2.4
225.00761	18.4
226.01181	0.7
255.23309	1.5
277.21695	1.6
352.79776	0.4
537.27380	2.0
559.25946	1.6
622.41339	0.5
815.49896	92.3
816.50250	27.8
838.07599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88667	0.4
59.01378	3.6
59.80437	0.4
63.02393	0.6
65.00320	1.0
69.45974	1.4
69.46392	1.4
71.01372	0.7
73.02934	0.9
73.51402	0.3
81.57104	0.4
83.01378	1.4
98.20696	0.6
101.02430	1.3
104.53437	0.3
107.01385	2.5
108.02172	1.2
109.02947	1.6
113.02420	0.5
121.02964	2.0
125.02455	0.5
135.00940	0.4
148.01701	0.7
149.02373	0.4
151.00388	9.0
154.48636	0.4
163.00366	2.6
178.99863	4.4
183.04503	0.5
199.03975	0.5
211.03981	1.0
226.02664	0.6
227.03522	6.7
228.03947	0.7
229.05113	1.0
239.03453	0.5
243.02989	4.5
244.03329	0.6
245.04582	1.3
254.02267	1.0
254.66850	0.4
255.02988	21.0
256.03503	2.4
257.04611	0.5
271.02487	22.7
272.03043	2.7
273.04086	0.9
283.02417	1.4
284.03281	8.9
285.04010	4.2
299.66251	0.4
300.02756	48.6
301.03500	40.6
302.03836	2.6
425.89490	0.3
447.09332	100.0
448.09723	12.3
683.99878	0.5
819.58252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.7
63.96232	3.2
69.03465	1.2
70.58332	0.9
71.01386	11.7
73.02951	2.7
77.25607	0.7
78.95897	3.3
78.98598	8.8
79.95741	17.2
80.96522	100.0
83.35259	0.8
85.02952	3.1
87.00885	3.6
87.63128	0.8
94.98096	22.1
96.11631	0.9
96.96001	2.6
97.02933	1.6
98.20745	1.6
101.02450	2.6
106.98095	3.3
122.97563	5.3
125.02461	5.3
134.97623	6.4
136.99113	1.5
148.99136	6.9
152.98637	7.0
164.98628	15.5
196.89471	6.1
206.99678	3.3
225.00732	19.0
255.23232	2.0
277.21683	1.5
312.78528	0.9
559.25708	1.7
668.01251	1.4
673.54071	1.0
752.84442	1.0
815.49866	84.6
816.50305	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	810.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17926	0.3
61.98834	100.0
68.49224	0.3
70.27552	0.6
70.27943	0.6
78.95902	0.3
89.87720	0.2
108.69022	0.2
110.07051	0.3
120.99476	0.3
121.56200	0.2
192.07791	0.3
194.92337	0.3
199.97179	0.2
312.23514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60978	0.1
57.19185	0.1
61.98834	100.0
70.34150	0.3
70.34515	0.2
73.68238	0.1
88.00401	0.1
89.27850	0.1
93.13638	0.1
107.17165	0.1
159.28409	0.1
183.22758	0.1
254.30984	0.1
520.76166	0.1
763.55756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.0
61.98846	8.9
63.86122	0.8
71.30269	1.1
78.95917	6.1
85.65517	0.8
97.06581	1.0
100.94248	0.8
113.02446	0.9
148.08911	1.8
150.10464	1.0
152.99585	1.8
156.43048	0.9
163.11276	1.2
165.12845	20.7
166.13225	1.4
168.04323	1.2
197.11833	1.9
217.16014	1.1
242.07947	2.1
247.20671	11.6
253.09148	1.3
265.17828	1.1
273.18607	5.7
274.18909	1.0
275.20148	1.0
277.21729	65.7
278.22101	7.6
289.18219	0.9
291.19662	100.0
292.20023	12.6
309.20700	3.0
325.20358	1.0
377.38773	0.9
492.57767	1.0
502.29446	31.5
503.29861	6.0
587.33374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
68.25804	0.2
70.67844	0.6
78.95913	0.5
79.95757	0.3
80.96517	1.2
94.98126	0.3
118.58536	0.2
134.97604	0.2
146.57634	0.2
225.00783	0.3
235.66196	0.2
245.17790	0.2
351.25595	0.2
480.74493	0.2
809.44617	1.1
834.65619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46772	0.1
58.30885	0.1
61.98834	100.0
62.98541	0.2
70.67043	0.4
78.95915	0.6
80.96529	0.6
87.08682	0.1
94.15108	0.1
94.98077	0.2
103.55521	0.1
111.54428	0.1
136.99023	0.2
152.99617	0.2
169.14117	0.2
177.44817	0.1
186.66124	0.2
265.18082	0.1
311.76312	0.2
333.24335	0.3
351.25427	0.7
613.24420	0.2
808.52185	0.5
809.44965	1.0
829.24506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01379	2.5
61.98830	5.6
66.87050	0.5
78.06645	0.7
78.95891	0.7
79.95722	0.6
80.96514	2.7
83.77557	0.7
96.96017	1.0
97.06580	0.7
111.08169	7.8
120.64356	0.7
122.03338	0.7
126.90418	1.3
149.09656	0.6
152.99638	0.8
167.10768	2.2
171.10182	0.8
171.18521	0.6
177.12828	2.7
179.10750	1.7
186.97301	0.7
195.13918	5.6
202.50333	0.7
225.00746	0.7
243.58020	0.8
247.20599	2.4
277.21732	5.0
278.22012	0.8
279.58676	0.6
291.19666	100.0
292.20041	9.6
420.27350	0.7
489.30493	0.9
617.91852	0.7
805.40527	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	805.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01381	1.3
61.98833	2.5
63.92844	0.3
71.01385	0.8
71.60606	0.3
78.95891	0.4
80.96524	2.7
83.67559	0.4
85.02951	0.4
87.00847	0.5
87.20786	0.3
89.02479	0.9
93.07149	0.7
94.98068	0.9
97.06604	1.0
101.02434	0.7
106.55674	0.3
113.02461	0.4
114.68338	0.3
121.10242	8.5
123.08144	0.6
125.09738	5.3
141.12833	0.8
147.08154	0.8
153.69077	0.3
171.10309	0.5
172.72629	0.4
185.11847	11.1
186.12195	0.5
197.11830	3.2
209.11856	1.4
209.31381	0.3
211.13466	1.8
223.13391	1.0
225.00786	0.7
247.20558	0.8
253.09325	3.2
273.18677	1.0
277.21762	11.3
278.22168	1.0
291.19669	100.0
292.20004	8.9
325.34851	0.4
351.52161	0.3
414.10294	0.4
429.54367	0.4
472.47388	0.4
493.49738	0.3
805.40588	3.0
806.40802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	17.1
61.98829	5.3
71.01387	10.4
73.02959	6.2
79.95745	9.5
80.96516	4.5
83.01383	1.0
83.05040	1.2
84.04090	0.9
85.02952	4.8
86.02477	1.2
86.24611	0.9
87.00885	1.1
87.19637	1.0
89.02421	1.1
95.05005	3.3
96.96018	100.0
97.02930	0.9
97.06598	1.5
99.00934	1.1
99.04543	1.2
101.02450	4.8
103.00362	3.6
109.06599	3.1
111.00888	1.3
113.02456	3.1
113.06117	1.1
115.00363	2.1
115.03931	1.5
116.92859	1.2
123.08183	1.0
125.06123	1.1
133.01460	1.5
134.09723	0.9
145.05049	2.5
150.77246	1.0
152.98698	1.1
157.05061	1.5
164.98627	5.5
188.09229	1.6
188.94885	1.0
189.12859	1.0
197.18993	1.0
213.18204	0.9
241.00261	1.6
241.21703	2.3
243.97519	1.0
286.23688	1.3
298.48990	1.2
306.07626	1.3
318.20663	2.1
403.27539	0.9
449.27371	4.2
483.22836	1.4
493.19666	1.1
510.35345	1.1
620.36395	4.1
638.37372	2.9
645.32751	4.2
680.38586	9.3
681.38263	1.5
698.86646	1.1
712.10632	1.2
718.33325	9.9
719.33551	1.6
760.34344	45.7
761.34680	9.1
786.31592	1.4
804.33356	41.3
805.33606	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	802.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.04027	0.1
69.39716	0.8
69.40126	0.2
69.80828	0.1
82.71119	0.1
83.01414	0.2
96.96046	0.2
97.44540	0.1
100.69081	0.1
101.45538	0.1
133.01431	0.2
151.00365	0.3
175.02438	0.2
193.05014	0.2
227.03502	3.4
228.03816	0.2
229.05029	0.1
255.03000	5.4
256.03571	0.8
283.02524	1.6
284.00702	0.1
284.03268	6.4
285.04050	13.8
286.04474	1.2
295.51331	0.1
327.05057	0.2
412.19226	0.1
431.09842	16.9
432.10233	1.9
512.40344	0.1
525.79492	0.1
527.68500	0.1
593.15247	1.3
594.15649	0.2
739.20850	0.7
740.20990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.1
58.00591	4.4
59.01095	3.2
59.01385	61.4
61.98830	8.5
65.03949	2.1
69.03462	6.2
69.25800	5.9
69.26223	14.4
71.01390	61.9
72.58337	1.7
72.99309	6.6
73.02952	7.1
74.02468	2.5
81.03471	4.5
83.01383	6.8
83.05023	9.4
85.02966	15.7
85.06602	2.2
87.00891	16.3
89.02453	35.8
93.03524	2.0
95.01402	3.7
95.05039	2.9
95.31260	1.8
96.96001	6.7
97.02975	5.5
97.06603	4.4
99.00880	3.5
101.02449	33.5
102.31893	2.5
107.05054	2.1
109.06590	4.8
111.08183	6.6
113.02457	18.6
116.74633	2.2
119.03536	9.0
123.08132	2.6
125.02474	11.1
125.03296	1.7
125.09744	19.7
141.01958	2.8
143.03516	3.8
145.06171	4.8
149.04614	2.3
161.04515	6.8
171.10292	48.0
172.10646	3.5
179.05634	12.6
194.96704	1.9
197.11922	2.3
201.12788	2.2
205.15947	5.7
209.11821	13.8
211.13387	12.4
215.14401	9.0
221.06677	7.2
221.15373	2.6
231.13985	5.2
233.15479	51.3
234.15793	6.2
235.08115	4.1
247.16928	1.8
249.14958	27.6
250.15344	2.5
251.16489	3.1
263.07715	4.4
280.98083	1.9
341.24905	6.3
357.24438	1.8
367.22772	3.0
377.26859	2.6
379.12421	3.2
385.23764	22.5
393.26242	3.4
397.13535	28.6
403.24902	43.3
404.25439	4.3
415.14313	2.8
421.25967	24.9
430.92322	2.0
544.46490	2.2
773.39417	4.5
783.38123	100.0
784.38226	28.7
801.39240	85.7
802.39429	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
59.97474	0.5
61.98824	2.3
70.01797	1.9
83.05059	0.5
97.06571	0.7
98.19962	1.1
105.94022	0.6
111.08229	0.6
113.09741	1.2
115.07642	0.8
136.85474	0.5
141.09227	1.3
151.07637	0.8
160.61850	0.5
165.12872	2.1
167.14435	0.8
177.09152	0.8
181.12363	2.3
193.12254	1.0
193.15970	0.9
193.76468	0.5
195.13951	1.3
209.15527	1.4
211.13374	3.2
213.15038	0.6
215.95752	0.4
221.15576	0.6
229.14386	0.6
239.12971	0.6
240.13580	0.9
241.14394	0.8
247.20686	2.9
273.18607	1.7
281.21368	0.9
291.19690	23.4
292.20013	2.0
300.46628	0.7
308.12030	0.5
309.20734	100.0
310.17651	0.6
310.21045	8.5
777.34100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.6
61.98844	14.2
69.03462	1.4
70.75899	2.8
70.76266	2.8
71.01382	7.4
73.02957	2.5
73.74722	1.3
78.95911	53.2
78.98595	4.8
79.95744	12.6
80.96525	61.0
83.05034	2.2
85.02950	2.5
87.00881	4.5
89.54470	1.3
94.98091	14.2
96.96972	9.2
96.97554	1.5
97.02942	1.8
99.92558	2.0
101.02455	2.2
103.49245	1.3
106.98100	2.9
113.63216	1.3
116.92862	18.5
122.97588	2.8
125.02456	2.2
125.09719	1.4
127.11316	3.0
134.97591	5.4
148.99126	5.7
149.93924	1.3
152.98572	5.3
152.99661	9.1
163.07626	1.3
163.11383	1.7
164.98627	11.7
171.10280	1.6
179.57336	1.5
199.09866	1.4
201.11334	31.8
202.11642	1.9
206.99709	2.3
209.11819	32.7
210.12154	1.5
223.00005	2.6
225.00755	20.9
227.12949	2.7
241.01221	22.4
242.01585	2.1
255.23312	23.9
256.23630	1.4
298.74005	1.3
537.27338	2.2
543.67975	1.4
709.38513	11.2
710.38507	4.0
781.40704	24.4
782.40613	5.0
799.42188	100.0
800.42493	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
59.01384	9.0
61.98829	9.9
71.01390	8.2
71.60113	2.2
73.02959	2.4
78.95930	2.2
85.02964	11.8
85.07851	1.4
89.02457	6.1
96.96025	3.2
97.02999	2.7
97.06615	2.7
101.02451	7.1
113.02451	5.2
119.03510	2.7
137.09732	3.1
155.10831	1.6
161.04582	2.3
171.10275	26.7
183.13893	4.2
209.11845	2.2
211.13399	16.7
220.06027	1.8
221.11705	1.7
229.14392	9.6
235.08131	6.9
239.12715	1.7
249.18604	65.5
250.18983	7.1
253.09283	32.1
254.09544	2.4
262.81714	1.4
277.21613	4.2
291.19717	6.5
309.20752	20.0
310.21112	2.1
327.21777	100.0
328.22067	9.1
427.94470	1.5
440.90851	1.3
545.29456	4.7
559.39642	1.9
563.30719	7.7
564.31201	1.9
611.55493	1.4
622.27826	1.6
623.27991	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	793.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98529	0.3
64.73722	0.1
71.40439	0.1
71.40804	0.1
80.96545	0.1
102.32115	0.1
122.97649	0.1
152.77533	0.1
167.69041	0.1
188.55228	0.1
236.43938	0.1
241.05772	0.1
342.02847	0.1
690.53851	0.1
762.51392	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18145	0.1
59.98301	0.1
61.98835	100.0
62.98532	0.1
62.99284	0.1
65.85802	0.1
70.01814	0.3
79.95751	0.1
80.96524	0.1
88.57373	0.1
96.76895	0.1
104.01443	0.1
122.97615	0.1
128.88120	0.1
403.70795	0.1
461.10309	0.1
495.48767	0.1
577.02094	0.1
605.80768	0.1
730.55139	0.1
774.78680	0.1
793.53473	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
65.99767	0.1
68.57516	0.1
71.01363	0.1
73.02953	6.3
75.00888	0.2
77.29151	0.1
99.00877	1.1
99.92590	9.5
100.92611	0.4
114.93439	0.5
115.00377	0.2
116.07156	0.1
116.92870	100.0
117.01944	11.9
117.92876	6.0
118.02309	0.3
118.05116	0.2
142.21255	0.1
150.29753	0.1
192.39752	0.1
250.87614	0.1
283.10916	0.1
677.49396	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48440	0.1
59.01378	0.4
61.98827	0.5
65.78707	0.1
69.69579	0.6
73.02952	7.6
74.02471	0.1
74.03323	0.1
75.00875	0.2
99.00882	1.2
99.92589	12.1
100.92612	0.5
114.93416	0.5
116.92867	100.0
116.97229	1.7
117.01942	12.7
117.05610	0.2
117.92880	6.1
118.02265	0.2
187.70551	0.1
197.85425	0.1
201.36264	0.1
233.83109	0.1
237.11270	0.1
252.48190	0.1
264.61981	0.1
284.94711	0.1
307.19223	0.3
414.26938	0.1
460.49335	0.1
554.84332	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.1
57.13890	0.1
58.32730	0.1
59.01378	0.3
61.98830	2.1
67.66722	0.1
71.01372	0.1
73.02949	9.6
74.03261	0.1
75.00883	0.4
85.60833	0.1
98.20628	0.3
99.00876	1.3
99.92587	11.0
100.92593	0.7
107.70309	0.1
114.93426	0.4
115.00443	0.1
116.03561	0.1
116.07166	0.1
116.92866	100.0
116.97219	1.5
117.01939	15.5
117.92873	5.7
118.02278	0.2
118.05083	0.2
121.49974	0.1
155.89165	0.1
277.21707	0.1
306.89896	0.1
335.17462	0.1
397.13562	0.2
455.05032	0.2
760.64557	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.1
59.01375	4.6
60.37144	1.3
61.98826	12.5
68.99828	1.0
69.43121	1.5
69.43529	7.0
71.01385	3.5
72.99319	1.7
78.95911	3.6
85.02978	1.2
89.02423	1.3
89.35918	0.9
90.57877	0.9
96.95999	1.4
99.00889	1.0
101.02436	2.0
102.05576	1.7
106.35167	1.0
111.08176	2.5
113.02443	1.2
121.10259	1.3
138.05054	1.0
152.99580	2.1
161.04482	1.3
169.08653	5.7
171.10277	4.3
172.00127	6.6
183.10327	1.3
185.11737	1.3
195.13924	2.8
197.11836	3.0
209.11829	3.4
223.13414	2.0
235.08241	1.3
249.18622	3.1
253.09273	10.0
263.16559	3.6
275.20029	5.0
277.21817	1.1
281.17599	10.6
293.21243	30.7
309.20728	3.6
311.16721	1.9
322.50330	1.3
333.49982	1.1
412.60699	1.4
460.18948	12.2
461.19714	7.5
474.20465	1.6
475.21271	5.2
476.22012	1.7
519.20233	11.1
520.20544	2.9
533.21814	2.2
589.24548	2.1
594.47809	1.4
621.27167	100.0
622.27417	17.8
689.16266	1.3
794.45410	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	793.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
60.99302	0.6
61.98831	5.6
68.99834	0.8
71.01389	1.0
72.99310	2.1
77.53875	0.6
78.95917	1.8
87.00871	1.3
96.96030	1.1
99.00871	1.0
127.00402	0.7
137.90926	0.8
140.98271	1.6
152.99615	1.1
154.99837	1.2
170.99359	1.0
172.00154	6.0
183.01315	1.1
240.89386	0.7
249.18539	0.7
277.21732	2.7
309.20572	0.7
311.16727	2.1
385.34259	0.7
446.17349	1.0
460.19034	9.9
461.19815	7.4
462.20190	1.3
474.20367	2.5
475.21405	5.7
476.22015	1.4
481.25668	1.0
519.20306	10.8
520.20996	2.0
533.21637	1.1
534.22412	1.2
589.24597	1.6
621.27216	100.0
622.27515	24.7
665.59607	0.8
685.20020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
58.00586	1.1
59.01383	19.5
59.49142	0.8
61.98829	2.0
63.77757	0.8
64.81808	0.9
65.44843	0.8
66.31920	0.8
71.01392	13.2
73.02939	0.9
74.66930	0.7
80.05064	1.2
81.83383	0.7
85.02945	2.3
86.97982	0.9
87.00901	1.3
89.02452	11.4
94.06654	2.0
94.20731	1.1
96.96029	2.3
99.00894	1.0
101.02440	6.7
105.05856	2.2
106.06631	3.2
107.03765	1.8
113.02471	3.7
115.00392	1.1
119.03513	3.4
120.08199	36.5
120.09072	1.9
121.08567	1.9
122.06130	21.7
128.03580	1.3
132.04572	8.4
134.06131	21.7
136.07687	2.6
137.04796	1.0
143.04674	1.2
145.06233	2.4
146.04590	1.5
146.06125	3.1
146.09740	2.4
148.07713	1.8
150.79749	0.9
152.07140	5.0
164.07146	1.5
211.12482	1.1
215.11926	1.3
223.08713	2.3
224.09396	1.3
225.10280	6.6
226.07401	1.2
226.11078	1.4
227.11865	1.4
237.10284	2.6
238.11162	7.5
239.11870	6.8
241.13374	1.4
243.15060	2.8
249.10289	1.0
251.08170	1.7
251.11880	3.6
253.10779	1.5
253.13490	21.4
254.13925	1.5
265.09839	3.0
265.13470	3.5
279.11444	12.6
279.14569	1.6
280.11942	3.2
281.12857	1.0
283.06079	1.7
287.14105	3.6
297.12360	1.6
306.07751	1.6
314.12399	1.9
348.99457	1.1
386.18704	1.3
400.20279	3.9
401.20877	1.2
459.17929	1.1
464.21362	1.2
474.01477	1.0
573.66095	1.1
580.26691	1.9
612.25763	1.4
624.25500	13.2
625.26373	6.0
747.32495	100.0
748.32751	25.3
773.31500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	11.0
61.98838	10.7
71.01382	3.6
71.60590	1.5
73.02925	1.3
79.95741	6.0
80.96534	5.3
81.05531	1.1
85.02960	3.3
96.96021	100.0
101.02454	2.2
103.00361	3.2
106.06602	1.2
115.00394	1.8
155.58170	1.1
156.94479	1.0
164.98611	3.8
171.10469	1.3
199.49471	1.5
201.29156	1.2
209.11943	1.4
241.00188	2.3
363.88562	1.2
483.22678	2.3
604.37396	2.4
605.37427	1.5
702.21863	1.6
702.33862	31.8
703.34039	7.1
707.33789	1.4
744.34882	15.0
745.34882	3.9
776.48236	1.2
788.33643	25.4
789.33624	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	789.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01680	1.7
61.98523	2.2
61.98834	38.2
64.94423	1.2
69.54449	2.5
69.54865	6.8
71.01388	3.2
73.62249	1.1
78.95921	2.6
85.81062	1.5
87.00871	2.2
88.98830	1.8
89.02432	3.1
95.34695	1.4
96.96023	3.1
96.96959	1.5
98.20699	2.4
101.02460	2.3
104.92816	2.5
113.02421	1.9
116.92864	2.3
125.02419	1.4
134.08002	1.3
141.01709	57.4
141.38646	1.3
164.45908	1.3
172.00137	2.7
249.18558	5.6
326.76932	1.5
331.18890	4.8
397.13547	12.1
415.14911	2.2
419.11502	4.8
437.12619	3.6
437.65961	1.3
469.06287	6.0
638.07465	1.4
669.30664	2.5
789.41699	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	785.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23068	0.3
59.16684	0.3
61.98832	2.7
64.67958	0.3
71.60347	0.5
88.04052	0.5
91.01884	0.5
93.03484	0.3
95.32975	0.4
96.15547	0.3
102.61936	0.3
108.90194	1.1
120.02119	0.4
121.02960	100.0
122.03297	3.4
136.01697	1.0
162.88109	0.3
165.01904	3.0
171.08324	0.3
181.05118	0.6
181.06569	2.4
191.03473	2.4
195.43549	0.3
209.04547	67.3
210.04874	4.2
225.05554	2.9
228.34740	0.3
249.18765	0.5
277.21741	0.5
313.07208	5.3
357.06232	1.5
401.08835	9.5
402.09134	1.6
466.85461	0.3
496.19095	0.4
785.16357	1.0
787.89685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03440	2.7
58.00588	2.2
59.01096	1.4
59.01385	25.7
67.01911	0.7
68.99833	6.2
69.03455	6.1
70.97475	0.7
70.97824	1.3
71.01391	11.5
72.99315	1.0
73.02956	1.9
75.00853	0.7
78.95886	0.8
81.03477	1.2
82.18713	0.6
83.01398	13.0
85.02963	6.9
85.24142	0.7
87.00884	2.1
89.02459	1.3
95.01408	1.5
97.02969	5.3
99.00891	5.5
99.04513	0.9
101.02448	6.8
109.02985	0.8
111.00892	17.5
113.02462	4.8
115.00337	0.6
116.05067	56.0
117.05405	2.4
119.57470	0.5
125.30432	0.6
127.04011	0.7
128.05098	3.2
129.01950	13.0
130.06647	4.0
131.03474	0.8
141.01950	16.4
142.02324	1.1
142.06616	6.8
144.04561	1.1
146.06100	1.2
156.04514	1.1
158.04922	1.1
158.06126	13.6
159.03006	11.0
170.06123	5.5
172.07684	3.7
177.04062	3.1
182.06174	0.8
184.07692	1.5
186.05620	5.6
187.07631	0.7
188.07175	39.0
189.07500	2.4
196.07648	2.7
200.07185	1.2
201.03976	1.2
204.06679	9.6
208.07709	0.8
210.05583	3.3
214.08720	2.9
216.06709	1.9
226.08711	1.2
228.06636	2.7
230.08203	8.3
244.09836	1.2
246.07697	1.4
258.07776	0.8
260.09274	7.7
261.09738	0.7
270.07730	7.3
275.09213	2.1
276.09497	1.0
288.08789	100.0
289.09109	8.3
306.09851	20.8
306.13397	1.0
307.10159	1.3
320.11484	1.0
330.09851	2.1
348.10904	64.6
349.11096	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	783.4651
Annotation	Ximaolide G
Peak:m/z	Relative Intensity
59.01368	0.9
71.01389	4.8
71.47607	0.6
71.47935	0.9
74.02483	0.6
77.61639	0.6
78.95903	1.7
82.02985	0.9
85.02947	0.6
96.96024	1.1
96.96964	0.8
99.04506	0.7
109.04059	2.4
110.02490	0.7
115.00383	1.6
127.05148	12.5
128.03551	6.8
133.02954	1.2
134.03741	1.1
135.04495	1.1
135.08186	1.5
136.05182	0.8
142.76006	0.7
143.04541	0.7
145.06192	6.1
149.06079	3.8
150.06868	34.7
150.81871	0.6
151.07266	2.3
162.06821	1.8
163.07654	31.9
164.08469	3.7
177.09236	1.4
178.09895	1.3
179.10767	7.5
180.11151	0.7
193.50354	0.6
195.04691	0.6
231.10257	2.2
275.09296	8.6
275.81839	0.6
276.09485	0.9
283.16638	0.9
311.26050	1.3
313.23831	1.3
439.31650	0.9
474.33139	1.0
475.34335	5.5
491.35532	0.8
492.36258	1.8
493.35471	1.1
518.38300	0.7
562.39679	1.0
576.41217	4.6
577.41913	1.2
602.39465	2.8
603.39795	3.7
620.40247	2.7
621.40833	2.7
650.35052	0.8
765.45526	1.9
783.46466	100.0
784.46802	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.15
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96407	1.0
69.25738	2.6
69.26173	1.4
78.95909	100.0
96.96971	63.3
97.87339	0.4
115.00396	0.5
133.01457	1.4
134.04735	6.3
138.98073	1.0
150.98019	1.1
158.92542	7.6
162.98000	3.1
174.98070	0.4
176.93610	0.7
180.18332	0.5
180.99084	9.8
192.98886	0.4
195.00739	2.1
198.06699	0.7
211.00179	0.7
212.06458	0.5
212.08331	1.6
213.38304	0.4
241.07304	3.6
255.08917	2.4
272.95724	1.9
307.54260	0.5
346.05591	23.1
347.05984	1.8
408.01111	2.1
417.32434	0.4
437.08667	29.4
438.09070	2.7
455.10049	0.6
515.59662	0.5
517.05341	1.8
722.49139	0.4
775.55664	0.5
784.14990	7.7
785.15594	2.0
804.01477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4499
Annotation	Withanamide E
Peak:m/z	Relative Intensity
57.03706	1.7
59.01374	4.8
61.98833	16.5
69.35854	13.1
71.01381	6.5
80.18685	1.8
82.02990	2.0
82.27385	1.8
88.98789	2.0
90.75908	1.7
95.06494	1.6
96.96020	5.7
113.02474	2.6
115.00347	4.4
116.92883	3.5
123.09167	1.9
127.05165	10.7
128.03552	7.8
133.01436	2.1
134.04776	2.2
141.57649	1.6
145.06195	5.7
150.06866	36.0
162.06868	2.0
163.07654	29.0
164.08405	4.1
179.10793	6.4
179.50438	1.9
410.30927	1.8
473.32712	4.2
574.39941	6.1
601.38367	2.9
619.39636	4.1
763.42993	2.6
781.44958	100.0
782.32434	3.1
782.45343	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	78.4
69.89593	37.3
69.89991	32.6
78.95899	100.0
98.20628	17.0
152.99591	39.4
201.46925	17.1
276.32330	14.2
277.21695	31.5
413.20996	22.4
509.06601	17.0
620.91284	16.7
683.58417	14.4
695.49689	15.7
781.46539	43.7
782.48999	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	781.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	2.2
71.01390	0.6
71.60555	0.5
71.60962	0.6
78.95910	0.6
80.96503	0.6
93.03465	1.7
94.23286	0.5
94.98082	0.5
95.01409	1.2
121.02951	3.4
122.03748	1.3
123.00903	1.0
124.01632	0.6
136.01642	0.8
136.05284	1.2
136.89195	4.8
137.02473	6.8
137.89131	0.9
138.01962	1.3
138.02849	1.1
139.00351	2.5
143.05046	1.3
146.03728	0.5
147.04524	1.9
149.02441	1.7
150.03253	6.3
153.05606	0.8
158.03734	3.1
159.04521	9.9
160.05305	27.3
161.06091	7.3
163.04010	6.8
164.04811	6.1
168.04254	0.7
173.06030	3.5
175.07643	23.8
176.07980	1.3
177.05569	6.5
178.06349	5.7
192.07944	0.6
193.08675	2.4
277.21771	2.6
314.11526	1.0
329.13943	100.0
330.14316	11.5
359.15042	1.6
373.07373	0.5
400.10190	0.6
540.72290	0.6
579.59332	0.5
781.41095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4413
Annotation	lugdunin
Peak:m/z	Relative Intensity
57.72501	0.7
59.01390	1.1
61.98837	4.9
62.97229	0.7
63.96230	2.8
69.03468	0.7
71.01391	10.6
72.99278	0.7
73.02940	2.9
78.95905	4.4
78.98595	9.6
79.95747	16.0
80.96522	98.2
85.02955	3.1
87.00880	3.6
89.84588	0.8
94.98091	21.2
96.18853	0.7
96.95998	1.5
97.02940	2.2
99.92589	3.4
101.02439	1.7
106.98084	4.3
108.23766	0.8
116.92828	1.6
122.97607	5.1
125.02470	4.1
134.97592	7.7
136.99153	1.8
148.99162	7.6
152.98625	7.0
152.99686	1.1
164.98643	13.0
179.89204	1.3
190.14078	0.8
193.90811	1.4
196.89423	1.8
197.64331	0.7
206.99652	2.9
211.13393	1.7
217.42526	0.7
225.00764	24.0
229.46051	0.9
255.23329	1.0
277.21741	1.2
284.26935	0.9
341.84872	0.8
371.40787	0.7
403.54294	0.8
408.47449	1.1
525.19952	2.0
537.27118	1.9
577.57483	0.8
629.17242	0.9
749.41180	1.1
781.44159	100.0
782.44495	27.0
804.39832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26922	0.2
57.72753	0.2
61.98834	100.0
70.08585	0.7
70.08961	0.4
70.54568	0.2
71.01389	0.2
78.95928	0.5
80.96507	1.4
94.98107	0.5
99.92645	0.2
112.29544	0.2
116.92767	0.2
158.33977	0.2
158.61995	0.2
179.89427	0.2
184.54005	0.2
225.00801	0.4
309.79947	0.2
781.44806	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	777.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16759	0.3
61.98832	100.0
65.42952	0.3
69.94950	1.4
86.27574	0.3
98.20525	0.4
102.47338	0.3
158.54187	0.3
177.17239	0.3
189.02649	0.3
303.00104	0.3
339.88196	0.3
394.64664	0.3
525.42419	0.3
666.25830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
59.01384	100.0
59.68548	0.4
59.95221	0.4
60.01717	1.4
66.00767	0.4
67.60348	0.4
70.83147	1.2
71.01387	13.7
71.01770	0.9
73.02947	4.7
83.01405	1.8
85.02955	4.4
87.00898	2.2
89.02447	5.0
95.01409	0.6
99.00908	1.1
101.02453	8.6
113.02465	4.8
115.00403	4.4
116.05087	2.9
119.03517	2.1
134.03760	0.7
142.06619	0.6
142.08432	0.5
143.03545	0.8
161.04568	3.5
175.02493	7.9
178.02676	0.6
179.05663	0.7
189.12881	1.7
193.05180	0.9
207.14005	1.2
225.14981	0.5
244.06242	2.0
305.53860	0.5
351.18192	1.0
369.19247	5.5
387.20291	12.1
388.20718	1.3
429.21301	18.7
430.21539	2.2
582.31995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.5
58.00594	0.7
59.01382	7.2
61.98830	2.4
69.03431	0.9
69.45283	0.3
69.51911	2.7
71.01385	5.5
72.99294	0.5
73.02941	1.5
78.95910	0.6
83.01406	1.0
83.05032	1.1
85.02940	1.6
87.00874	1.1
87.68109	0.4
89.02453	3.9
92.44635	0.4
95.01375	0.5
97.06556	0.7
98.20544	0.9
101.02451	5.6
105.68497	0.4
109.06605	0.8
111.08168	10.1
112.08584	0.5
113.02459	3.3
116.92863	0.5
119.03499	1.3
125.02418	0.5
127.07664	0.8
133.05017	0.7
135.45905	0.4
138.56615	0.4
143.03491	0.7
143.07106	0.5
151.11299	0.9
151.57799	0.5
153.09322	0.6
153.12802	0.6
161.04535	2.5
167.10785	1.1
169.12346	4.0
171.10248	0.6
179.05579	0.9
179.10822	0.5
181.12341	1.3
183.13924	1.0
193.12230	0.5
195.27791	0.4
197.11833	52.9
198.12183	2.7
199.13396	3.6
205.19574	0.6
210.18040	0.4
211.13368	7.6
212.13823	0.4
216.80809	0.4
225.14903	0.9
227.12878	1.3
231.17564	0.5
232.12952	0.4
235.08220	5.3
247.20576	0.4
249.18600	100.0
250.18951	9.3
253.09294	23.4
254.09590	1.5
260.57294	0.4
263.16534	1.7
263.20126	4.7
264.20105	0.4
265.18118	1.6
269.01318	0.4
269.49036	0.4
273.18503	1.4
277.18787	0.8
277.21735	11.4
278.22171	0.7
281.17542	4.0
282.17984	0.5
291.19675	28.4
292.19943	3.0
309.20731	60.9
310.21060	6.3
326.62012	0.5
331.52899	0.4
415.19739	0.6
433.21259	0.8
527.28583	0.9
541.39111	0.5
545.29578	1.0
802.59003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45728	0.3
61.98834	100.0
69.39734	0.4
69.40138	1.9
80.96524	0.4
119.88400	0.3
152.99593	0.3
210.71773	0.3
283.82449	0.3
315.80093	0.3
324.60336	0.3
363.81906	0.3
525.08398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57764	0.4
61.98833	100.0
63.99255	0.4
65.35078	0.4
66.03415	0.3
71.60743	0.6
78.95934	0.7
83.25906	0.4
146.96638	1.1
147.56581	0.5
181.29973	0.4
193.77942	0.5
428.60727	0.4
693.15466	0.5
701.74768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76105	0.1
55.90673	0.1
59.01378	0.2
61.98834	0.1
71.01397	0.2
71.59685	0.1
71.60078	0.2
75.83482	0.1
78.95910	6.6
79.95743	3.2
92.63062	0.1
94.98095	0.3
96.96020	100.0
96.96918	9.4
97.95937	0.4
98.02468	0.2
115.00383	0.3
119.84678	0.1
133.01453	0.2
134.03789	0.2
135.04456	0.2
161.02419	0.2
175.03951	0.1
179.03532	0.1
181.02263	0.1
193.05051	0.1
255.02934	0.1
277.60739	0.1
285.03946	0.5
286.04446	0.2
306.07495	0.1
350.82700	0.1
677.49896	0.2
775.46924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.1
59.11898	1.4
59.31038	1.5
61.98839	2.6
65.71773	1.5
78.95911	44.7
80.96516	4.9
81.45487	1.6
83.05042	1.6
94.98077	1.8
96.96962	4.7
98.20634	4.1
122.97617	3.4
133.55266	1.6
152.99600	49.5
169.12312	3.3
171.00632	7.4
197.11836	14.5
198.12070	1.5
199.13470	2.7
211.13429	6.1
227.03233	4.1
239.30919	1.7
253.21669	13.2
254.22191	1.6
255.23308	99.2
256.23587	10.9
277.21597	3.3
287.22281	2.1
291.19666	6.5
293.21268	5.1
309.20709	12.9
311.22327	12.2
359.04895	1.8
445.19974	5.2
447.21310	3.3
505.25583	3.2
519.23700	3.1
521.24860	2.6
537.24927	3.6
539.26294	38.6
540.26495	5.2
775.47681	100.0
776.47723	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
61.98833	100.0
71.60756	0.3
78.95927	0.4
98.14046	0.2
110.41723	0.3
150.87196	0.2
152.99712	0.4
196.99864	0.2
211.13455	0.7
212.13982	0.4
249.18704	0.5
261.15134	0.3
277.21912	0.5
329.99371	0.3
717.47021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.4
61.98835	100.0
71.60030	0.2
71.60526	0.2
72.47504	0.2
73.68017	0.2
78.95933	0.4
83.56002	0.2
96.31846	0.2
124.48089	0.2
138.95111	0.2
158.98381	0.2
183.10316	0.5
184.10710	0.2
224.47797	0.2
277.21863	0.8
278.22134	0.4
279.22614	0.2
692.33099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.4
61.83226	0.4
69.39422	3.4
93.03474	0.6
151.00333	1.0
183.04449	0.6
185.06149	0.5
211.03941	0.8
227.03479	20.1
228.03822	1.8
239.03624	0.6
255.02980	34.4
256.03610	4.2
257.04227	0.5
283.02475	11.1
284.03250	41.4
285.04034	79.5
286.04398	6.1
327.05045	0.7
411.48001	0.5
431.09821	100.0
432.10172	12.6
432.16132	0.5
593.15186	6.9
594.14929	1.2
739.20947	3.4
740.21716	0.6
766.67023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51194	1.8
56.85894	1.7
59.90908	1.4
63.01651	1.4
64.66528	1.5
69.53486	5.2
69.53908	5.8
78.48512	1.5
78.95469	3.2
78.95910	51.7
81.82050	1.5
96.96962	3.9
97.02963	2.1
111.08136	6.6
122.97584	2.6
127.07612	1.5
152.99599	57.6
163.11356	1.5
169.12251	3.7
171.00610	5.7
171.10199	3.2
171.60191	1.5
183.13904	1.8
197.11839	33.7
198.12097	2.6
208.98859	1.5
211.13406	3.8
227.03246	4.8
230.80960	1.7
253.21741	29.3
254.22075	2.7
255.23271	10.1
285.58789	1.6
291.19647	6.6
307.19272	1.8
309.20795	11.8
370.82986	1.6
445.19907	4.2
483.26978	2.6
519.24261	3.8
537.24701	100.0
538.24817	11.9
581.03912	1.7
773.32007	3.8
773.46075	69.2
774.46442	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
61.98833	3.6
70.21536	0.9
71.01389	0.5
72.99288	0.3
78.95907	11.7
79.95747	3.5
89.02489	0.2
90.87046	0.2
92.71820	0.2
94.92536	0.2
94.98097	1.2
96.96017	100.0
96.96931	14.3
97.95952	0.4
98.02483	0.4
137.67995	0.2
152.99620	0.4
172.00102	0.5
194.08151	0.2
247.44171	0.2
277.21713	0.7
315.90164	0.2
397.13562	0.6
415.14288	0.3
453.09146	0.6
458.31924	0.3
515.05109	0.2
547.81799	0.2
683.42914	0.3
684.43347	0.3
713.30981	0.5
772.96808	0.2
773.42444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98829	3.9
69.49162	1.3
69.49566	0.6
71.01387	0.4
71.78081	0.2
78.95907	12.6
79.95745	4.0
80.83885	0.3
94.98089	1.2
96.96017	100.0
96.96937	16.2
97.95930	0.4
98.02505	0.8
98.19715	0.2
172.00131	1.3
277.21759	0.7
327.35468	0.3
397.13507	0.8
435.08344	0.3
453.09354	0.7
665.41827	0.3
683.44012	0.4
713.31287	0.6
773.43402	0.5
774.42859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67973	1.3
57.97563	1.8
58.90919	1.4
61.98829	1.8
63.21510	1.4
68.85415	1.6
68.95226	1.3
70.52872	1.3
71.60110	1.4
71.60468	1.8
77.14767	1.5
78.95911	48.3
96.96960	3.1
97.02931	3.7
105.85530	1.5
111.08138	1.8
114.50690	1.4
117.77158	1.6
119.08575	1.7
137.09724	2.9
152.99599	64.0
165.12909	1.6
171.00626	7.1
171.10249	7.8
179.70952	1.6
185.11823	2.9
191.97086	1.5
195.13942	1.5
197.11896	7.7
209.11890	3.1
211.13445	13.6
227.03328	4.2
227.12758	2.1
245.04282	2.1
247.20522	1.7
253.21759	30.1
254.22072	2.6
255.23314	10.5
265.18027	1.5
266.10999	1.6
277.22040	2.0
291.19656	24.3
292.19949	2.8
309.20676	12.9
310.21133	2.3
339.42166	1.3
445.19949	5.3
519.23352	5.4
523.92780	1.6
537.24744	100.0
538.24902	13.8
608.33038	1.6
773.46143	74.0
774.46277	19.4
802.39343	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12029	0.3
55.58820	0.3
56.87516	0.3
59.01382	14.1
59.01680	0.7
61.17174	0.4
61.98825	1.9
66.68406	0.4
69.03486	0.3
69.41610	0.9
69.42023	2.0
71.01379	2.4
73.02959	0.5
78.95906	1.0
79.50576	0.3
83.05044	0.5
85.02976	0.5
85.18437	0.3
87.00898	0.6
89.02470	1.4
93.74720	0.4
98.20569	0.8
101.02454	2.0
101.10326	0.3
109.06640	0.4
113.02472	1.2
127.07616	0.6
139.07672	0.6
139.11276	2.1
155.10786	3.1
161.04565	1.1
165.09175	0.7
183.10266	72.8
184.10597	4.0
235.08186	4.8
253.09296	8.0
277.21719	100.0
277.55176	0.4
278.22058	10.0
401.18314	1.7
419.19312	2.8
420.19543	0.5
513.30792	3.1
514.31299	0.6
679.40845	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
61.98845	0.9
62.14050	0.1
71.01408	0.2
71.60211	0.2
73.02953	5.2
75.00864	0.3
78.95905	0.4
89.02444	0.1
99.00923	0.8
99.92588	10.0
100.92596	0.6
107.47993	0.1
110.76549	0.1
114.93417	0.5
116.92867	100.0
116.97233	1.6
117.01942	10.2
117.92874	5.0
125.58380	0.1
152.99637	0.2
238.98398	0.1
282.69308	0.2
313.19232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	0.8
59.01385	15.9
61.98839	2.6
64.37959	0.4
71.01385	2.0
71.32143	0.7
73.02948	0.5
78.95914	1.8
87.00863	0.6
89.02459	1.4
91.61993	0.4
93.57035	0.5
101.02425	1.4
112.74057	0.4
113.02417	0.8
130.05707	0.5
130.42702	0.5
152.99535	0.9
161.04588	0.9
167.10744	0.5
179.05713	0.5
183.10281	4.4
183.13910	6.1
193.12384	1.5
197.39105	0.4
211.13408	100.0
212.13747	6.3
235.08223	1.3
249.18599	46.5
250.18918	5.1
253.09312	5.2
277.21722	4.4
429.21292	1.6
447.22345	11.0
448.22638	1.6
654.95770	0.5
679.40759	1.0
771.42657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
61.98819	1.0
66.55633	0.1
68.28603	0.2
70.81387	0.4
70.81722	0.2
71.01404	0.2
73.02950	5.3
75.00856	0.3
96.96021	0.2
99.00886	0.9
99.92591	10.8
100.92606	0.5
114.93414	0.5
116.03517	0.2
116.92870	100.0
116.97236	2.1
117.01947	9.3
117.05612	0.3
117.14367	0.2
117.92880	5.3
172.00180	0.2
190.91586	0.2
232.73210	0.2
265.14825	0.3
277.21707	0.2
313.19034	0.2
635.86743	0.2
636.81335	0.2
672.97888	0.2
771.41510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	44.0
61.98831	9.1
69.03462	1.7
69.33398	11.6
71.01384	17.4
72.99300	1.7
73.02939	8.2
74.02477	2.7
79.95728	8.1
80.96511	3.8
83.01354	2.1
84.04535	1.8
85.02961	6.2
87.00851	1.7
89.02442	6.7
95.01405	1.5
96.96010	64.3
99.00930	1.6
101.02452	10.5
101.07208	1.6
103.00334	3.2
109.04085	7.8
113.02445	7.0
113.03576	1.5
119.03491	2.3
125.03584	2.6
126.19730	1.3
127.05145	54.7
128.02675	2.1
128.03540	23.4
145.06207	39.1
151.00371	1.8
160.01582	1.4
164.98596	3.8
189.52341	1.3
199.05531	1.2
211.04039	1.4
229.05028	1.8
249.19661	2.7
267.20624	1.8
270.04587	1.3
271.05893	1.2
284.03217	1.6
285.04056	100.0
286.04486	10.1
295.22592	2.7
356.52734	1.3
361.28665	1.3
379.29791	1.7
521.25427	1.6
521.32703	6.6
538.83313	1.4
585.33496	2.4
603.35321	7.4
627.35364	2.5
645.36035	71.3
646.36395	12.0
683.30200	10.3
683.39691	1.4
684.31213	1.7
708.28827	1.5
725.31464	41.9
726.31775	10.4
734.65448	1.6
751.28955	3.5
769.30798	45.6
769.43066	2.1
770.30597	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	769.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
57.03465	8.8
59.01381	28.0
62.17865	1.5
67.01900	3.3
68.99823	3.2
69.03455	10.1
71.01385	30.0
71.60070	1.5
72.99323	4.3
73.02949	12.0
73.52077	1.4
81.03451	3.4
82.03000	1.7
83.01373	7.8
83.02190	1.6
83.05029	4.1
85.02956	83.2
86.03271	2.0
87.00880	100.0
87.37967	1.7
95.01393	14.5
97.02959	29.8
99.00879	3.3
99.04538	3.7
101.02459	3.5
103.04010	9.5
109.02950	7.1
111.00881	8.6
113.02457	37.2
115.00373	21.1
119.05033	7.2
121.02946	1.7
125.02485	2.3
127.04080	11.1
128.03554	1.7
129.01921	2.4
129.91507	1.6
132.71236	1.5
133.01443	15.8
134.03722	1.6
135.04520	3.6
137.02406	1.8
139.00400	9.8
145.05072	3.8
149.02409	1.6
155.03522	6.9
157.01430	11.6
163.04015	10.6
164.04361	2.0
169.05064	3.6
173.04544	9.3
175.02483	52.0
179.03485	4.5
185.41035	1.5
193.05051	5.0
199.02469	20.8
215.18593	1.6
217.03528	20.6
284.03629	2.0
285.04065	31.8
286.04343	3.6
303.07196	19.5
306.07599	5.8
321.08215	13.5
327.07285	1.7
329.13824	2.2
387.09274	7.9
405.10400	2.0
449.82999	1.7
521.11121	3.9
551.16333	3.8
563.12415	9.6
667.17133	6.4
709.18280	71.7
710.18701	13.8
727.19183	3.0
769.19330	19.7
770.19666	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41470	0.2
59.01367	0.5
60.99311	15.6
68.51437	0.2
71.01385	0.2
80.43559	0.2
85.02969	0.2
87.00887	1.5
88.00401	2.1
88.04091	0.2
88.98814	100.0
89.02448	4.9
89.99138	1.2
117.58375	0.2
128.76567	0.2
152.49055	0.2
229.23897	0.3
240.04163	0.2
248.82057	0.2
268.03763	3.2
269.03925	0.2
283.06149	5.1
284.06494	0.7
285.04233	0.4
384.68869	0.2
514.17273	0.3
677.49963	1.0
678.49628	0.5
691.46356	0.2
767.20129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	37.1
61.02423	3.4
61.98847	7.3
64.45110	3.9
70.44284	6.4
70.44652	6.5
71.01385	27.1
72.99344	4.8
78.95921	12.9
82.73481	3.1
85.02934	3.6
87.67245	3.3
89.02449	37.2
95.53445	4.3
95.55536	4.3
97.22524	3.9
101.02444	19.5
102.62009	3.8
113.02450	13.3
116.56977	3.2
119.03506	19.8
143.03505	8.6
152.99590	9.4
168.01219	3.6
168.18202	3.9
179.05618	20.5
225.22183	13.5
271.22891	7.4
277.21744	4.3
278.22000	5.3
326.26944	36.6
334.25085	4.1
414.21579	6.0
730.54767	100.0
731.54858	25.3
766.52173	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	767.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04882	0.6
59.01368	1.1
70.15698	0.7
70.31980	0.6
71.01383	1.8
83.47537	0.6
85.02953	0.9
93.03471	0.8
98.19859	2.4
101.02457	0.7
113.02502	1.0
121.02975	2.1
122.03770	1.5
133.01488	0.8
134.03749	1.2
136.01671	50.7
137.02119	0.7
151.04016	79.0
152.04388	3.8
153.30649	0.6
160.05348	0.7
161.04518	1.8
162.03285	0.7
163.04022	0.8
175.07678	1.7
177.05486	1.1
229.53343	0.8
256.03973	0.7
271.02759	0.8
285.04187	1.6
299.01895	1.3
311.13049	1.0
342.10999	4.0
357.13449	100.0
358.13815	13.1
501.17587	2.5
561.20459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
60.99311	17.5
61.98827	0.9
71.01400	0.4
87.00878	2.1
88.00410	3.9
88.01234	0.3
88.98813	100.0
89.02445	11.6
89.99152	1.0
92.22508	0.2
132.24377	0.2
156.05223	0.2
159.58235	0.2
199.25279	0.3
229.89000	0.2
277.21811	0.6
278.64600	0.2
376.18533	0.3
397.13638	1.1
415.14340	0.3
765.23871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	2.7
59.01384	39.5
61.98839	6.5
65.02116	3.3
70.82370	3.3
70.82700	5.5
71.01391	30.5
72.04560	4.4
72.99301	3.7
78.95927	3.6
85.03003	5.8
89.02459	38.2
101.02446	20.9
113.02460	12.3
118.39053	2.3
119.03519	19.9
131.03557	3.2
143.03500	6.2
161.04613	3.5
179.05618	19.6
225.22273	12.9
253.21704	4.0
271.22739	8.3
277.21619	4.1
326.23447	4.4
326.26981	38.7
366.55515	2.6
376.82635	2.5
438.99426	2.8
550.48535	7.7
568.50104	3.8
575.18420	2.5
730.54736	100.0
731.55072	26.9
766.52307	15.7
767.52881	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	765.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74158	0.2
57.71502	0.2
59.01369	0.5
60.99311	17.4
61.98822	0.4
65.20112	0.2
67.34641	0.2
69.69093	1.1
71.01381	0.5
79.09135	0.2
87.00876	2.2
88.00410	3.3
88.01205	0.3
88.98811	100.0
89.02443	10.8
89.99143	0.7
90.02762	0.2
98.20686	0.4
101.02479	0.3
112.99290	0.2
113.93703	0.2
265.88620	0.2
277.21747	0.6
374.71088	0.2
397.13669	1.0
398.13867	0.3
415.14651	0.5
420.70169	0.2
581.33655	0.2
656.26733	0.2
676.80188	0.3
714.58423	0.2
783.79474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98821	0.9
71.01393	0.5
71.60390	0.2
73.02949	5.3
75.00855	0.3
78.55483	0.3
99.00893	0.6
99.92591	11.7
100.17651	0.2
100.92609	0.5
102.17221	0.2
114.93407	0.5
116.92867	100.0
116.97236	2.4
117.01945	9.6
117.92882	6.0
124.72198	0.2
255.25203	0.3
371.70502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.8
66.08395	0.2
69.69534	0.4
69.69946	0.6
71.01394	0.2
73.02951	8.5
74.03275	0.2
75.00887	0.3
87.00864	0.2
89.02411	0.2
98.19962	0.3
98.59637	0.2
99.00887	1.3
99.92590	10.6
100.92593	0.6
104.99032	0.2
108.92355	0.2
114.93416	0.5
115.00445	0.2
116.92865	100.0
116.97243	2.2
117.01941	15.4
117.02801	0.4
117.92879	5.8
118.02295	0.2
132.41130	0.2
144.53911	0.2
168.68719	0.1
249.18698	0.2
307.14197	0.2
353.62836	0.1
397.13525	0.2
433.13126	0.2
476.74878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	6.0
63.96226	1.7
67.57607	1.7
71.01382	7.7
71.15826	4.3
74.74955	1.7
78.95911	3.5
78.98605	7.1
79.95734	15.0
80.96519	80.0
85.02956	4.2
87.00887	2.9
94.98091	17.0
96.95973	3.1
97.02950	2.1
101.02468	3.4
106.98117	3.2
122.97574	5.4
125.02428	3.7
134.97556	5.7
148.99139	6.3
152.98653	6.9
164.98668	11.3
206.99707	3.4
207.10210	2.3
225.00700	21.1
225.11317	2.4
255.23341	3.2
337.03488	2.1
471.47949	1.8
763.39539	100.0
764.39771	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	761.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.8
61.98812	2.0
63.96244	1.5
69.53249	2.1
69.53658	4.7
71.01385	9.3
73.02950	1.6
78.95905	2.8
78.98597	5.5
79.95744	15.0
80.96519	80.9
85.02953	3.3
87.00861	3.5
94.98090	18.4
96.95992	2.7
97.02948	1.6
101.02404	1.5
106.98102	2.7
122.97577	3.6
125.02443	3.2
127.04008	1.6
128.84773	0.9
134.97609	6.3
136.99088	1.2
148.99158	5.8
152.98573	5.6
164.98642	12.6
167.00177	1.1
206.99664	2.3
225.00752	21.4
226.00952	1.3
255.23293	3.4
505.17593	1.9
537.27130	1.8
761.41431	100.0
762.41864	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	757.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76830	4.8
59.01374	12.9
68.47875	5.9
71.01382	18.0
71.59890	7.2
74.99096	22.9
79.95750	12.1
85.02932	9.8
92.02679	5.7
95.95236	54.1
96.64536	5.0
96.96012	100.0
101.02444	6.8
107.94344	5.6
115.00389	26.0
119.05024	22.1
128.03467	6.3
133.01451	63.8
163.04002	59.3
191.56636	5.7
193.05016	16.2
200.83360	5.5
204.90417	5.1
241.14465	17.9
307.70886	6.3
335.51871	5.4
371.49249	6.3
397.13370	8.9
415.14362	6.5
477.06113	98.2
478.06512	12.6
639.28491	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	759.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
61.98832	7.8
63.70166	0.2
67.51080	0.2
71.01384	0.7
71.60419	0.3
73.02949	14.6
75.00861	0.3
78.95915	0.4
83.06447	0.2
99.00880	3.2
99.92585	10.0
100.92618	0.8
114.93391	1.1
115.00381	1.0
116.92866	100.0
117.01942	28.2
117.92878	5.6
118.02290	0.4
152.99597	0.4
153.38011	0.2
173.17529	0.2
194.39528	0.2
219.96101	0.2
237.38130	0.2
262.15500	0.2
277.21857	0.3
278.22028	0.4
555.18976	0.5
570.94934	0.3
677.20679	0.7
678.20801	0.3
759.25500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98835	100.0
63.83441	0.3
71.01438	0.4
71.60465	0.5
78.95927	1.8
101.68037	0.4
116.92863	1.0
118.98241	0.4
123.88245	0.4
152.99608	1.0
165.26425	0.4
167.14490	0.4
171.10410	0.4
203.44669	0.4
249.18703	0.4
277.21790	1.7
278.22202	1.2
323.86005	0.4
367.29965	0.4
469.83661	0.4
485.31027	0.4
582.81348	0.5
646.39728	0.4
756.42096	1.1
757.43719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98835	100.0
71.01394	1.3
71.52737	0.6
74.64854	0.4
75.00877	0.7
78.95909	2.3
96.96004	0.5
97.91103	0.4
98.19957	0.5
114.93429	0.8
115.00390	0.6
116.92857	0.6
121.15540	0.4
132.28682	0.4
152.99593	1.6
170.02927	0.4
171.10339	0.7
181.08723	0.5
209.11850	0.6
249.18628	1.0
253.09225	0.4
277.21713	2.6
278.22128	0.6
551.65247	0.4
554.29718	0.5
628.33429	0.4
756.41223	1.9
757.43927	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	755.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	10.8
59.01143	1.5
59.01386	20.8
59.64615	1.3
61.98830	10.4
63.96233	1.3
69.49702	10.6
71.01394	7.7
72.99285	2.2
77.17548	1.6
78.91894	32.7
78.95914	2.6
78.98599	3.9
83.01398	1.9
83.05042	7.1
107.05027	2.5
110.00121	10.4
121.06569	1.7
127.00414	10.5
135.04515	1.8
149.09706	1.7
154.99850	2.6
159.04532	1.8
171.08061	1.8
172.05305	1.7
206.80629	1.5
225.09077	2.0
237.12724	1.6
249.01439	1.4
300.67355	1.5
337.96890	1.4
395.18381	3.5
406.39478	1.5
410.20984	13.4
411.21475	4.3
456.27719	1.4
637.42377	1.8
653.41772	2.1
655.43304	1.7
665.42218	4.0
683.43359	11.6
684.43005	3.5
711.42761	5.6
712.43848	1.9
755.41644	100.0
756.42224	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	755.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
57.03445	4.7
58.00580	1.6
59.01381	58.6
61.98826	9.0
69.03461	2.5
70.35540	2.5
71.01385	42.3
72.01734	1.0
72.99310	2.1
73.02956	10.0
75.00903	1.3
77.02666	0.9
83.01381	8.8
85.02958	19.5
87.00872	4.3
88.98807	1.0
89.02448	6.7
93.30632	1.1
95.01387	5.1
96.21600	1.0
96.95986	1.9
97.02959	4.2
99.00912	4.9
101.02450	26.6
111.00889	4.9
112.01637	1.3
113.01710	1.1
113.02457	18.6
119.03516	2.9
124.01620	1.4
125.02480	6.0
129.01999	1.7
134.03700	1.0
143.03477	2.9
145.48569	1.0
159.03020	2.2
161.04573	2.1
179.03464	1.2
193.04861	1.1
208.10936	1.0
245.81021	1.1
280.11774	1.1
299.25778	2.8
345.29889	4.7
489.34402	5.0
490.33871	1.4
507.35300	12.5
577.36554	1.2
603.88080	1.3
615.37817	1.6
650.37817	1.5
651.39575	100.0
652.39886	22.5
669.40662	60.0
670.41010	13.5
711.41730	24.5
712.42273	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	755.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46050	1.4
55.01867	3.7
57.03447	3.4
57.31388	1.2
59.01381	44.0
61.98836	12.8
68.99841	1.1
70.61152	2.7
71.01386	43.4
72.99305	2.0
73.02953	12.3
75.00843	1.4
79.95785	1.4
83.01385	6.8
83.05012	1.5
85.02960	19.7
86.00090	1.7
87.00881	5.3
89.02451	5.8
95.01398	3.8
96.96037	5.5
97.02974	2.8
98.06418	1.3
98.20646	1.5
98.77939	1.2
99.00894	5.2
101.02445	27.6
111.00872	5.9
113.02448	19.5
113.41673	1.2
119.03492	1.8
124.01669	1.7
125.02442	4.9
129.02002	1.7
133.01460	1.9
143.03493	4.6
159.03041	1.6
161.04562	2.3
171.14003	1.7
221.99397	1.3
299.25943	3.1
345.30206	5.0
464.44446	1.4
469.13449	1.5
489.34216	8.1
507.35214	11.6
549.36548	1.5
651.39636	100.0
652.40094	18.2
669.40741	52.4
670.40912	9.0
711.41742	18.0
712.42291	3.0
755.32184	4.4
755.44446	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	755.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50454	0.2
62.05869	0.2
63.02405	0.6
65.00336	0.5
65.80150	0.2
71.59648	0.2
76.61069	0.2
81.18904	0.2
83.01397	0.9
93.03446	1.1
107.01405	1.4
109.02959	0.3
115.00380	0.3
117.03447	1.0
119.04990	0.4
121.02923	0.3
123.04492	0.2
125.02421	0.2
133.01393	0.5
133.02945	0.4
134.03737	1.4
135.00858	0.4
135.04430	0.3
137.02495	0.3
140.79700	0.2
141.07072	0.3
143.05017	0.6
145.02962	0.3
145.06656	0.2
147.04605	0.2
151.00374	2.8
153.01910	0.4
154.04256	1.0
155.04974	0.6
157.06580	0.3
159.04539	0.9
161.02478	0.3
163.00346	0.9
165.01923	0.8
167.05054	0.6
169.01459	0.4
169.06610	3.3
170.06935	0.4
171.04512	0.9
173.02411	0.7
173.06107	0.3
178.99883	0.3
183.04541	1.7
185.06099	2.6
187.04034	1.5
189.05553	1.7
193.05077	2.7
195.04446	0.5
196.05214	0.2
197.06003	0.4
198.03151	0.3
199.04059	0.6
201.05559	0.5
211.03978	2.1
212.04608	0.3
213.02002	0.2
213.05563	3.3
214.02657	1.1
215.03502	1.1
217.05038	0.4
224.07014	0.2
226.02776	0.3
227.03511	10.2
228.03940	0.7
229.05064	2.8
239.03503	1.2
240.04138	0.4
241.04964	1.1
243.02946	1.6
255.02986	33.7
256.03467	3.5
257.04572	4.4
258.04819	0.3
267.02975	0.3
269.04541	2.1
270.04932	1.0
271.02448	1.0
271.05713	0.9
283.02487	49.8
284.03180	18.1
285.04044	100.0
286.04391	7.5
299.01993	0.6
300.02756	1.2
301.03458	1.4
327.05081	0.6
430.09045	6.6
430.14926	0.4
431.09827	28.2
432.10101	2.8
447.09326	2.7
448.09457	0.3
609.14600	35.8
610.14929	5.9
755.20398	29.4
756.20782	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	755.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56071	0.3
63.02393	0.5
64.17731	0.2
65.00317	0.5
71.35214	0.2
74.91274	0.2
83.01363	0.4
98.19823	0.6
107.01368	0.7
112.76775	0.2
115.00367	0.8
117.03488	0.4
125.02501	0.3
133.01434	1.4
133.02951	0.4
134.03700	0.3
151.00351	2.1
153.01865	0.3
158.30357	0.3
163.00383	0.5
163.03954	0.6
169.06612	0.5
173.58395	0.3
178.99904	0.3
183.04486	0.9
185.06107	0.6
193.04990	0.4
202.29361	0.3
211.03996	1.0
213.05548	0.4
227.03496	27.3
228.03831	1.9
229.05013	0.4
239.03465	0.3
241.71490	0.3
255.02992	42.4
256.03583	7.0
257.04300	0.5
282.99365	0.6
283.02493	12.7
284.03265	45.0
285.04031	54.1
286.04358	4.5
327.05078	1.4
340.10303	0.3
375.98465	0.3
431.09833	0.6
447.09332	100.0
448.09659	12.3
593.14856	1.3
609.14581	2.6
610.15106	0.5
755.20459	0.7
756.21100	0.3
775.22162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1837
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
59.01389	1.8
61.98839	0.3
63.02392	0.7
63.18517	0.3
65.00321	0.3
70.59574	0.3
71.01376	3.4
71.60909	0.6
73.02961	2.6
80.96507	0.4
83.01385	1.0
85.02964	0.9
87.00886	0.7
89.02447	0.7
93.03472	1.3
96.96043	0.5
101.02462	1.2
107.01408	0.5
109.02932	0.8
113.02459	0.6
115.00361	0.8
117.03461	0.6
121.02961	0.4
127.03998	0.6
132.02199	0.8
133.01431	1.0
133.02963	12.2
134.03770	0.7
135.00882	0.6
135.04541	6.7
136.04834	0.7
137.02406	0.6
143.04982	0.4
145.02945	0.4
145.05081	1.6
149.06087	0.8
151.00381	1.5
154.04300	0.5
159.04474	0.7
161.02451	41.1
162.02827	2.7
163.00438	0.7
165.01878	0.4
169.01405	0.4
169.06544	0.8
171.04497	0.5
177.05580	1.5
179.03497	8.0
179.10767	1.8
180.03831	0.5
185.06094	1.6
187.03992	1.0
190.45900	0.4
193.05005	0.4
211.03949	1.0
213.05617	0.7
214.02673	0.7
215.03596	0.5
221.04533	3.0
223.09789	1.0
227.03497	0.6
229.05040	1.1
234.78313	0.4
239.03419	1.1
240.04370	0.5
251.05597	1.9
257.04483	1.3
281.06671	3.6
284.03293	0.5
285.04056	100.0
286.04349	8.7
323.07803	1.9
341.08804	1.1
372.42596	0.4
469.13516	68.6
470.13895	8.8
755.18201	5.6
755.31866	0.7
756.19104	1.9
756.32745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.2
61.98830	10.6
68.83331	1.1
71.01399	3.9
71.60889	1.3
73.02954	1.6
77.57313	1.2
78.95907	5.3
80.05557	1.1
89.02460	1.9
97.02962	1.4
97.46888	1.2
99.00888	15.1
101.02472	2.0
110.03707	1.3
113.02496	1.8
117.07139	2.4
123.04572	3.3
125.02379	1.1
133.06613	1.2
135.08223	5.9
145.04947	1.1
152.99586	2.4
153.09225	15.9
154.09660	1.4
179.07086	4.6
197.08205	37.1
198.08624	1.6
215.09280	4.8
235.08257	3.5
253.09227	6.1
272.96228	1.3
277.21738	100.0
278.22067	10.9
415.16138	3.6
433.17050	4.5
451.51584	1.2
493.73441	1.2
693.38458	16.4
694.39178	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	753.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.0
61.98833	10.8
63.49936	1.6
71.01378	4.6
72.99319	3.2
76.06841	1.6
78.95907	3.8
80.96519	2.0
89.02492	1.9
97.02950	7.1
99.00881	8.9
101.02409	2.5
105.67050	1.5
121.92255	1.5
125.09714	2.6
135.08154	2.4
142.02699	2.2
152.99605	3.5
163.11342	7.7
181.12328	14.0
207.10258	45.1
208.10597	2.9
209.11810	2.1
225.11328	100.0
226.11612	6.9
243.12369	11.2
249.18597	80.3
250.19031	9.1
253.09305	3.6
277.21692	2.7
390.84579	1.7
398.16547	1.8
398.51532	1.8
443.19025	6.1
461.20233	45.8
462.20547	6.9
693.38342	25.5
694.39099	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	751.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.7
57.03451	3.5
58.00579	2.3
59.01382	90.4
61.98840	11.9
69.03451	2.2
71.01387	65.0
71.05016	1.7
71.60199	1.8
72.99294	4.8
73.02948	14.8
76.85181	1.5
83.01387	11.1
85.02955	26.4
86.00040	1.8
87.00854	7.6
89.02450	25.9
95.01393	6.5
96.96030	4.9
97.02946	4.1
99.00887	5.6
101.01788	2.0
101.02447	36.3
111.00886	2.6
113.01701	2.9
113.02451	27.1
116.92871	1.7
119.03524	8.2
125.02454	8.0
129.02016	1.8
143.03514	4.5
159.02922	2.1
161.04579	6.3
179.05716	2.2
193.48943	1.8
193.62599	1.5
211.17250	1.6
225.08208	1.6
253.09358	1.8
266.00671	1.8
341.26733	3.1
345.63190	1.8
467.29922	2.4
482.95789	1.6
485.31375	7.9
487.32834	2.3
503.32196	14.6
504.32718	3.1
527.32251	2.3
631.37207	2.9
647.36511	100.0
648.36871	23.3
649.38068	8.7
665.37518	77.1
666.37793	15.2
667.39227	2.1
707.38953	21.6
708.39008	6.9
709.40564	3.9
751.31616	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73709	0.2
59.01379	1.3
61.98824	0.4
71.01382	1.3
72.90946	0.2
72.99309	2.5
73.02988	0.2
75.00877	100.0
76.01207	1.0
78.49277	0.2
84.59608	0.2
85.02950	0.3
87.00895	0.4
89.02451	1.2
101.02421	0.9
113.02462	0.5
119.03505	0.6
125.02448	0.4
137.06808	0.2
141.95268	0.2
161.04610	0.3
173.32233	0.2
179.05562	0.3
181.26439	0.2
235.08279	0.8
277.21732	3.5
278.21945	0.3
287.07837	0.2
305.08658	0.4
364.51279	0.2
384.39175	0.2
397.08228	0.4
397.13507	7.6
398.13907	0.5
415.14606	2.6
675.36890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
61.98844	0.4
64.99875	0.1
71.01371	1.1
72.99314	2.7
73.02943	0.2
75.00877	100.0
76.01221	1.2
87.00889	0.3
89.02448	1.0
101.02435	1.0
113.02441	0.4
119.03499	0.3
119.10313	0.2
125.02454	0.4
161.04604	0.4
179.05499	0.2
188.60571	0.2
235.08305	0.9
242.45125	0.2
277.21729	3.2
278.22150	0.4
305.08856	0.3
397.13510	6.1
398.13977	0.6
415.14639	2.1
494.65057	0.2
640.97345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74737	0.6
71.01394	5.6
72.48822	0.8
72.99317	1.0
78.95910	84.6
89.02441	0.8
89.03934	0.9
96.96969	100.0
115.00382	17.0
133.01442	59.8
133.03012	1.5
134.01758	1.0
134.03746	2.3
135.04539	6.4
138.98030	4.5
161.02414	0.7
163.03958	1.1
177.01897	1.0
179.03505	9.3
193.05074	4.2
198.06645	1.4
199.00137	8.8
212.08363	4.2
213.01677	8.2
213.08795	0.6
241.07257	4.9
255.08894	5.8
295.04657	5.2
307.04492	0.8
342.59479	0.7
344.03162	0.9
455.09769	88.1
456.10013	9.8
698.21259	0.8
716.44067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78264	1.1
55.01885	1.2
56.03561	1.3
57.03434	1.2
58.02980	1.5
59.01096	2.5
59.01385	41.8
60.01068	1.0
61.98829	3.3
67.03046	1.2
71.01386	17.4
71.60470	1.5
71.60861	1.5
72.99316	2.7
73.02946	7.1
74.02474	2.7
78.95881	1.4
79.95739	9.1
80.96517	3.4
82.02975	2.5
83.01389	3.1
84.04568	2.4
85.02982	5.7
87.00901	2.5
89.02446	4.3
95.95215	2.5
96.96016	72.6
98.02484	2.1
101.02465	10.7
101.07181	2.3
103.00382	3.4
109.04088	8.2
113.02448	4.6
119.03491	2.8
125.03640	1.8
127.05145	54.3
128.03546	26.0
133.01384	1.4
145.06201	41.7
164.98607	3.5
277.21872	1.7
289.22925	3.1
290.70764	1.2
295.22543	1.2
307.24033	1.2
439.27271	1.7
585.34119	8.5
627.34973	100.0
628.35382	19.6
647.28711	2.2
648.27234	1.5
665.29572	16.5
666.29755	2.8
707.30707	54.7
708.31128	11.7
733.28516	2.5
751.29755	46.0
751.42487	1.9
752.30011	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	749.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	1.9
63.96239	1.9
71.01389	10.4
73.02962	2.0
78.95908	8.0
78.98588	4.6
79.95747	12.4
80.96525	80.9
85.02944	3.5
87.00881	2.8
93.54195	1.3
94.98087	20.2
96.95984	1.8
97.08476	1.4
101.02431	2.5
104.65598	1.4
106.98056	3.7
122.97566	5.1
125.02432	4.0
127.38902	1.3
134.97556	5.9
138.56036	1.3
148.99174	7.0
152.98625	3.7
152.99596	4.1
164.98625	10.9
206.99670	2.9
225.00745	17.5
237.84180	1.3
255.23349	8.0
256.23672	3.9
277.21591	6.0
281.24606	1.8
282.25189	2.2
293.21091	3.7
303.42065	1.4
493.17273	3.3
498.51056	1.5
537.27759	2.2
574.20325	1.5
673.30194	1.6
749.41449	100.0
750.41547	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	749.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
59.01385	5.4
61.98833	6.8
69.60267	4.7
69.60697	4.3
71.01387	3.6
81.18616	1.0
85.60329	1.1
96.96036	1.4
97.06606	1.5
107.08674	1.5
111.08144	8.9
125.09737	2.3
126.26439	1.4
137.09750	4.0
149.09801	2.5
150.71376	1.2
165.12950	1.2
167.10876	1.5
219.17532	11.3
235.17000	2.2
245.15443	2.0
249.18639	11.7
255.23405	1.8
263.16522	100.0
264.16837	9.5
287.98608	1.4
392.61707	1.2
419.05798	1.2
536.67340	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.2
59.01379	3.9
61.11000	1.1
61.98828	3.9
71.01396	7.0
71.60593	1.3
72.99298	1.3
95.05025	4.6
97.06606	12.6
102.05585	0.9
103.46044	1.0
110.94296	1.0
115.25025	1.0
121.10266	9.0
124.13919	1.0
139.07634	1.6
146.64360	1.0
147.08156	3.9
157.08685	5.7
165.12794	2.9
169.08707	2.1
219.17578	4.7
245.15472	2.0
249.18620	5.6
253.09328	1.3
259.94461	1.0
263.16537	100.0
264.16891	9.9
633.40924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38750	0.3
56.47958	0.3
59.01377	0.9
61.98833	4.0
61.99153	0.5
71.01369	0.7
71.60850	0.3
72.53249	0.3
75.00852	0.3
78.95905	10.8
79.95741	3.5
89.30722	0.3
94.98100	0.6
96.92245	0.5
96.96015	100.0
96.96928	14.8
97.95949	0.4
101.60150	0.3
134.37788	0.3
145.41402	0.3
249.18826	0.5
255.23407	0.5
318.51190	0.3
397.13596	0.6
453.09369	0.5
510.69064	0.3
542.96356	0.3
685.28046	0.5
744.49744	0.3
745.50525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87661	0.4
70.73560	1.3
71.01391	14.2
72.99319	0.9
89.02461	1.1
96.96021	0.8
115.00383	25.9
116.00661	0.5
118.12836	0.5
119.05038	50.3
120.05380	1.9
130.07866	0.4
133.01442	70.5
133.58490	0.4
134.01762	1.5
134.03755	1.6
163.04025	100.0
164.04398	5.2
193.05092	1.8
267.59741	0.5
279.05096	8.7
280.05261	0.7
294.18231	0.6
304.47568	0.5
358.42578	0.5
748.75177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
61.98838	2.0
70.47374	0.2
71.01369	0.4
71.60860	0.3
78.95908	13.0
79.95739	3.4
94.98093	0.6
96.96017	100.0
96.96933	15.2
97.57790	0.3
152.99594	0.2
246.28246	0.2
249.18633	0.4
255.23262	0.4
371.58932	0.2
397.13251	0.5
415.14609	0.4
453.09225	0.7
552.48267	0.3
582.97168	0.2
628.01245	0.2
685.27844	0.7
745.50415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96735	1.7
59.01388	31.9
61.98840	4.5
62.64005	1.6
67.14786	1.7
71.01389	5.0
71.16336	3.3
78.95872	1.8
80.05093	2.2
80.56517	1.9
88.08442	2.1
94.06631	1.6
96.96032	10.1
106.06649	8.4
108.04552	3.1
115.00445	2.2
120.04618	3.3
122.06127	21.5
126.60707	2.6
132.04565	2.6
133.01495	3.4
134.03746	3.6
134.06116	33.8
136.07700	5.0
143.07219	1.9
146.06084	3.8
152.07159	7.3
160.06438	4.2
160.07677	1.9
162.09241	6.5
180.06679	12.5
192.66249	2.0
204.09175	1.8
209.11789	2.0
211.08852	2.6
213.10338	24.4
214.10617	2.4
225.10390	5.1
226.11157	2.6
234.55881	2.1
237.10287	3.2
239.08206	3.6
239.11897	11.5
241.13466	18.9
251.08170	4.8
251.11955	5.8
253.09694	5.3
253.13370	3.0
265.09937	2.3
265.13293	1.9
266.10593	2.3
267.11557	3.3
267.15103	6.7
268.12219	4.1
269.13092	2.4
275.09381	2.0
278.10367	1.8
279.11365	13.5
280.12225	6.6
281.12897	3.8
285.12457	56.3
286.12793	3.9
294.13605	2.4
312.11136	3.0
313.11823	3.8
339.13367	6.5
358.15579	2.6
374.18744	2.5
375.77054	2.1
386.14679	2.4
387.19376	2.5
388.16580	2.3
400.16577	5.9
415.18936	6.3
443.48294	1.8
459.18002	9.5
460.18704	7.2
474.20328	5.2
493.22250	2.3
519.20105	10.1
520.20734	16.8
521.25702	2.8
526.36121	2.0
534.22455	100.0
535.22638	17.6
565.24554	18.2
566.24969	4.2
581.27551	2.6
625.26733	47.3
626.27106	10.8
657.29352	76.7
658.29639	21.9
683.27625	2.4
715.24298	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	745.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	21.4
61.98844	5.0
71.01392	3.3
71.60756	1.6
78.95889	1.5
79.95723	1.5
80.05081	1.4
83.05040	1.3
85.02931	1.1
96.96015	7.9
99.00914	1.2
101.02460	1.4
103.00347	1.3
106.06612	5.3
108.04578	3.8
109.79896	1.1
113.02459	1.4
115.00398	1.4
116.92786	1.2
120.04617	1.6
122.06136	11.9
132.04597	1.8
134.06125	23.0
136.07672	5.0
145.06273	1.2
146.06108	2.6
146.43767	1.1
152.07152	4.7
160.06471	2.0
160.07669	2.4
162.05586	1.3
162.09282	4.3
180.06604	8.4
181.08803	1.2
211.08797	2.7
213.10359	8.9
223.12814	1.0
225.10362	2.5
226.10963	1.4
227.12737	1.4
234.32605	1.0
237.10402	2.9
238.65465	1.0
239.08223	4.8
239.11914	4.2
241.13481	7.2
249.10370	1.5
251.08260	3.3
251.11748	2.5
252.08920	1.3
252.12628	1.6
253.09653	7.2
253.13831	1.4
265.09848	3.0
266.10553	1.9
267.11447	4.9
267.14996	4.5
268.12192	4.5
269.12811	1.5
277.09848	1.2
278.10535	2.2
279.11465	10.3
280.12119	6.3
281.12936	4.5
285.12488	19.9
286.12747	1.6
293.12906	2.3
311.10638	1.2
312.11261	2.4
313.11877	1.7
327.21756	1.7
338.29700	1.1
339.13425	1.7
358.15479	1.5
372.17151	2.3
374.18900	2.0
386.15015	3.4
400.16495	5.5
415.19104	5.4
430.21451	2.6
432.19238	3.2
442.17374	1.3
459.18182	7.8
460.18622	4.6
461.19244	1.5
470.10602	1.1
474.20242	8.7
475.20874	2.5
481.78339	1.2
516.21783	1.1
519.19965	14.0
520.20850	11.2
534.22479	100.0
535.22852	18.7
565.24426	5.9
581.27844	1.5
585.34082	1.2
597.26782	2.2
615.27637	1.5
625.26880	12.6
626.27386	3.6
657.29285	50.4
658.29620	11.2
683.28143	1.5
745.36298	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	30.9
61.98835	1.8
64.58972	1.4
69.82880	8.4
71.01376	1.6
80.05054	3.6
86.85525	1.5
96.96006	10.6
97.63755	1.5
98.20569	1.6
105.82427	1.4
106.06644	9.6
107.03801	2.2
108.04563	5.1
108.08244	2.5
120.04544	3.6
120.08235	2.7
121.05337	4.0
122.06126	31.3
132.04584	5.9
134.06131	40.3
135.10980	1.6
136.07722	8.7
146.06136	3.6
148.07672	3.5
152.07173	8.7
160.06456	3.7
160.07668	2.9
162.09222	6.9
180.06679	16.3
181.18317	1.5
188.07126	1.6
194.08144	2.5
198.12892	2.4
206.08356	2.0
211.08742	2.2
213.10333	26.7
214.10625	2.1
223.08806	2.5
224.09518	2.3
225.10280	7.6
226.07513	1.5
226.11018	2.7
227.11986	2.3
236.09648	1.8
237.10251	3.5
238.10867	1.7
239.08327	4.0
239.11911	10.8
240.12408	1.6
241.09758	2.6
241.13428	21.6
249.10283	2.0
250.11017	2.2
251.08324	4.5
251.11896	7.5
252.12645	3.4
253.09854	6.5
253.13501	4.8
265.09860	4.6
266.10782	1.6
267.11548	7.2
267.14932	8.7
268.12134	3.3
269.13080	1.6
278.10672	3.3
279.11359	19.1
280.12051	11.1
281.12949	6.8
285.12439	62.4
286.12726	4.4
293.12958	3.4
294.13809	2.1
295.11035	1.6
312.11212	4.2
313.11996	2.5
316.14438	1.7
339.13467	5.5
372.17181	2.1
374.18890	2.4
386.14731	2.9
386.19055	2.4
398.18747	3.1
400.16718	6.7
415.18994	5.6
416.19748	2.0
430.21503	1.7
432.19168	5.2
459.18082	8.1
460.18765	8.4
474.20178	7.8
475.20795	2.6
492.21481	3.0
519.20276	10.7
520.20807	27.7
521.26031	4.3
534.22430	90.6
535.22620	13.8
565.24414	17.3
566.25238	3.5
597.27271	2.7
615.28656	2.0
625.26685	50.2
626.26904	12.4
657.29333	100.0
658.29608	26.6
683.27100	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	745.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96061	1.1
55.21938	0.7
57.67555	0.8
59.01374	3.3
60.90611	1.0
61.98825	4.8
70.55870	2.9
71.01379	3.5
71.04955	0.8
85.02937	1.2
89.02462	1.5
93.03449	3.8
95.01387	1.7
95.05013	0.9
96.96021	7.3
101.02419	1.7
106.89128	0.9
108.02183	1.0
109.02906	1.4
119.92547	0.8
120.01249	1.0
121.02969	13.6
122.03764	15.4
123.00921	1.4
123.04502	1.2
133.01405	1.4
133.02930	2.5
134.03741	1.8
135.04546	8.0
136.01671	22.1
136.35806	0.9
137.02444	3.4
142.54666	0.9
147.04478	2.0
149.02464	31.7
149.06105	2.0
150.03235	95.8
151.00418	4.6
151.04056	23.1
152.01196	1.7
152.04488	1.5
154.02675	1.2
160.05315	2.0
161.02480	1.6
162.03209	1.3
163.03999	3.7
164.04784	6.7
165.05583	100.0
166.02727	16.1
166.05859	3.7
167.03461	3.0
168.90758	0.9
172.05305	1.5
175.04008	4.1
175.07700	1.2
177.05620	1.4
180.04312	6.3
181.05077	20.9
189.05597	4.2
190.06322	6.7
191.03510	1.2
193.05092	0.9
195.06642	63.7
196.07002	4.7
205.08685	2.1
206.05876	1.1
207.06480	1.6
210.52632	1.0
221.08058	1.6
224.69786	0.9
266.05905	0.9
279.06522	1.3
314.07788	1.1
315.08725	2.5
329.10150	3.2
342.11295	1.5
355.11792	1.4
356.12573	2.8
357.09637	2.4
357.13483	12.1
358.13757	1.2
372.12140	3.4
373.12549	1.5
386.13718	1.9
387.14496	49.3
388.14978	6.9
490.16599	1.3
505.18390	3.1
535.19751	61.6
536.20117	12.1
553.20691	3.0
565.20850	3.2
583.21875	44.9
584.22266	8.2
659.25372	3.1
745.25818	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	743.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62072	0.3
59.01373	0.8
60.99310	18.0
61.98831	10.5
71.01417	0.6
78.95924	0.7
87.00879	1.7
88.00406	4.3
88.01215	0.3
88.98810	100.0
89.02448	10.8
89.99168	1.1
96.42404	0.3
97.48249	0.3
114.98673	0.3
152.99609	0.3
160.62044	0.4
170.63391	0.3
219.17719	0.3
255.23282	1.4
271.43640	0.3
277.21802	1.1
278.22375	0.5
328.17438	0.4
397.13602	1.2
415.14841	0.4
597.64618	0.3
740.19910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.5
60.99310	17.1
61.98821	2.4
62.44268	0.3
71.01392	0.9
77.10546	0.3
78.95918	0.6
87.00877	1.7
88.00407	3.8
88.01229	0.4
88.98812	100.0
89.02447	14.0
89.99144	0.9
98.20709	0.5
101.02419	0.4
152.99585	0.6
209.11697	0.3
255.23308	1.0
265.14801	0.3
277.21707	0.5
278.22263	0.3
319.84082	0.3
397.13385	1.4
398.13892	0.3
557.85358	0.3
767.79865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	4.7
59.01291	2.0
70.81671	1.7
71.01389	2.7
74.02486	9.5
74.99097	25.3
79.95740	13.7
82.02976	2.8
85.02956	5.7
86.02454	4.3
86.99084	2.2
95.95240	50.2
96.96018	93.1
99.05655	8.7
99.09180	1.8
101.07180	2.1
106.60055	1.9
109.04153	2.7
112.16250	1.7
115.00396	3.6
119.05083	2.3
124.04102	2.1
128.03555	23.4
129.03857	2.1
133.01433	12.0
134.03770	3.2
135.04503	2.1
143.04608	25.3
144.04985	3.2
145.06168	2.0
160.00720	9.3
163.04012	7.3
167.04655	3.4
179.04631	5.0
189.17932	1.9
189.92233	1.8
191.01988	3.4
195.35950	1.9
205.04359	2.4
210.08821	5.5
211.09273	2.1
240.61778	2.2
254.07838	5.4
255.08125	3.3
272.08890	12.3
288.06567	6.5
306.07663	75.7
307.07950	19.5
308.07553	2.3
447.05374	100.0
448.05676	8.4
529.93335	2.1
743.27863	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	742.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45919	0.3
55.96901	0.2
59.01374	0.7
61.98834	100.0
67.10076	0.2
78.95915	0.8
88.97997	0.3
89.02494	0.3
136.08337	0.2
136.24033	0.2
152.99629	0.7
161.04669	0.3
169.61017	0.3
181.08755	0.5
183.10281	0.3
201.11375	0.6
209.11887	1.0
253.21815	0.3
277.21741	2.7
278.22168	1.7
433.81573	0.3
466.48489	0.3
505.26144	0.7
506.26550	0.5
646.22144	0.3
742.46448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93268	0.4
59.01383	5.7
61.98840	4.7
70.04915	0.7
70.05302	1.1
78.95910	33.6
80.96542	0.6
86.10265	0.4
96.96963	3.0
111.86126	0.5
141.01695	2.2
146.32428	0.5
152.99596	38.8
153.99886	0.8
171.00653	4.3
227.03235	5.0
229.44061	0.5
232.97577	1.7
244.99014	0.5
245.04204	0.9
253.21735	29.0
254.22165	2.4
255.23096	2.5
259.20700	0.6
275.20163	0.8
277.21725	80.4
278.22101	7.3
314.98105	0.7
320.09048	0.5
322.81757	0.6
413.20917	2.7
463.24716	1.0
483.27209	1.6
487.24692	1.1
505.25742	100.0
506.26047	10.3
580.04315	0.5
692.67548	0.5
741.47131	26.8
742.47815	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	741.1893
Annotation	Quercetin 3-glucosyl-(1->4)-xylosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
55.40466	0.6
60.90675	0.6
63.02423	0.8
65.00348	0.9
69.30709	5.6
71.01414	1.1
78.20171	0.6
83.01378	0.6
96.96055	1.7
98.19837	1.3
107.01435	2.5
109.03021	0.8
115.00407	2.3
119.77235	0.6
120.50420	0.6
121.03023	0.8
124.01815	0.6
125.02502	0.8
133.01436	4.7
151.00381	6.9
163.00392	0.9
163.04111	0.8
169.01479	0.8
178.99855	3.7
199.04010	1.9
215.03513	1.4
226.02724	4.4
227.03535	3.4
243.02951	10.0
254.02274	5.4
255.02937	3.7
271.02493	69.5
272.02945	7.0
273.03845	0.7
293.65915	0.6
299.01984	33.6
300.02756	76.3
301.03510	43.2
302.03830	2.6
343.04553	1.0
433.07767	100.0
434.08157	10.0
581.13141	0.9
608.13647	2.7
609.14545	13.0
610.14789	1.4
614.21735	0.8
640.66522	0.7
726.67834	0.8
741.18823	39.2
742.19232	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	741.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97572	2.3
59.01388	28.1
61.98836	25.2
65.15718	2.1
70.12032	3.7
70.12418	8.5
71.01389	18.9
72.99313	3.3
73.02956	3.7
78.95912	58.1
83.01405	2.4
85.02958	6.8
87.00857	3.1
89.02454	15.7
96.96969	5.8
97.02965	5.5
99.00879	1.9
101.02444	16.1
102.26309	2.0
113.02453	6.6
119.03501	5.6
125.02462	6.4
143.03448	2.7
152.99597	50.1
161.04539	4.3
161.12070	2.6
164.55182	2.1
171.00595	2.6
171.10287	4.7
179.05687	2.4
211.13365	3.1
221.06705	2.8
227.03163	4.0
235.08228	9.8
253.21733	32.0
254.22087	2.3
255.23103	3.4
277.21735	88.1
278.22049	8.2
283.23279	3.6
283.26443	65.1
284.26682	7.9
305.08667	4.3
372.78949	2.7
397.13510	84.9
398.13873	6.6
413.20877	5.9
415.14587	28.7
463.21176	4.3
505.25748	100.0
506.26096	9.2
681.41095	4.2
741.46582	30.2
742.46149	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	740.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03572	0.1
59.01361	0.1
59.77240	0.1
61.98832	100.0
62.98546	0.2
62.99264	0.1
70.40937	0.1
83.04974	0.1
148.07675	0.1
151.91394	0.1
182.77342	0.1
229.54460	0.1
587.80640	0.1
680.50397	0.8
681.51611	0.1
740.49139	1.3
740.60883	0.1
741.49640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
59.73096	0.3
60.63574	0.2
61.98833	4.2
70.28547	0.9
70.92403	0.2
75.00883	0.3
77.03970	3.0
78.95918	0.7
93.03488	0.5
108.78590	0.2
121.02962	100.0
122.03288	2.8
152.99590	1.2
165.01935	74.5
166.02261	2.6
180.05841	0.5
181.06615	2.4
191.03528	1.5
197.06062	0.4
197.94054	0.3
225.05582	1.5
249.88914	0.2
253.21753	0.9
260.37198	0.3
277.21689	1.8
313.07227	1.9
357.06146	10.3
358.06595	1.0
493.86884	0.3
505.25919	2.4
549.10553	0.5
575.11896	0.5
588.51990	0.3
603.09778	0.3
741.14600	5.6
741.47278	0.6
742.14874	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	740.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.98834	100.0
62.17200	0.1
62.98539	0.2
71.01383	0.1
75.01476	0.1
85.95440	0.1
89.02428	0.1
101.02468	0.2
152.99600	0.2
163.62700	0.1
171.27654	0.1
196.07452	0.1
197.89122	0.1
248.98462	0.1
249.18803	0.2
277.21866	0.4
279.23145	0.2
280.23590	0.2
281.24161	0.1
386.91864	0.1
399.14261	0.2
400.14575	0.1
505.26340	0.3
693.63440	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	740.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
61.98835	100.0
62.98541	0.2
69.35600	1.2
78.95928	0.5
90.20967	0.1
131.56439	0.1
149.72849	0.2
152.99615	0.5
253.21783	0.6
277.21722	1.2
397.13388	0.1
399.14093	0.2
505.25696	1.3
510.21857	0.1
513.32849	0.1
520.98572	0.1
730.04395	0.1
741.47491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44611	1.0
59.01383	14.5
61.98832	13.8
71.01387	2.9
73.02956	1.1
78.95910	6.6
79.68457	1.0
80.08420	1.1
80.96561	1.3
89.02441	1.4
98.81394	0.9
101.02464	1.6
113.02412	1.2
128.22308	1.1
135.66278	1.0
139.11290	2.9
152.99631	2.7
155.10793	2.2
161.04471	1.3
183.10272	71.1
184.10695	2.9
229.10185	1.5
235.08247	5.2
248.49567	1.2
248.52422	1.3
253.09270	7.2
277.21729	100.0
278.22034	11.0
401.17932	1.9
419.19049	1.1
465.16940	1.1
513.30737	1.4
739.40802	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	739.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	28.7
60.33127	1.1
61.98838	9.3
63.71370	1.1
69.17104	1.2
70.91629	1.8
70.91990	2.6
71.01387	23.6
72.99340	1.3
73.02963	3.2
78.95889	1.6
83.01408	2.5
85.02958	5.5
87.00895	4.7
89.02444	21.9
95.01392	1.4
97.02955	3.3
99.00922	1.7
100.56777	1.1
101.02452	19.5
113.02467	7.3
119.03512	6.9
120.14207	1.2
120.60902	1.2
125.02462	8.1
131.03452	1.2
143.03520	3.1
147.04874	1.2
161.04597	4.2
171.10324	1.9
173.22568	1.3
179.05605	3.8
198.70360	1.3
207.10219	1.2
221.06631	2.2
225.11391	1.9
235.08281	10.4
253.09306	1.5
259.34930	1.3
277.21729	3.9
281.24869	74.1
282.25247	7.5
287.07767	3.4
305.08795	2.8
323.09924	1.4
388.59137	1.2
397.13519	100.0
398.13892	9.0
415.14569	29.3
415.19214	1.0
416.15005	2.7
609.49780	1.3
679.39166	2.0
739.42871	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	739.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39068	1.0
58.00599	1.2
59.01096	1.9
59.01385	34.0
61.98825	7.4
67.50345	0.9
70.15678	2.6
70.16079	2.0
71.01386	24.1
72.99298	3.1
73.02970	4.9
81.03442	1.6
82.07837	1.0
83.01367	2.2
84.00902	1.7
84.95126	2.9
85.02946	4.3
87.00869	6.4
89.02454	23.0
95.01403	1.7
97.02950	4.4
99.00856	1.8
101.02452	21.4
110.91228	1.0
113.02467	10.3
119.03507	7.4
125.02460	9.6
131.03474	1.1
143.03520	4.7
152.99617	1.4
161.04568	4.6
169.03194	1.0
171.10344	6.1
175.21745	1.0
179.05594	4.3
221.06525	1.1
225.11305	2.0
235.08284	9.5
235.76936	0.9
239.66809	0.9
253.09297	3.6
277.21674	8.1
281.24875	84.9
282.25192	6.7
287.07758	4.6
305.08807	5.4
323.09848	1.2
379.12375	1.3
397.13531	100.0
398.13782	8.9
415.14584	35.2
416.14914	2.8
546.66650	1.1
679.39563	2.4
739.42194	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	738.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98832	100.0
62.98525	0.2
71.01400	0.1
73.63677	0.1
89.02443	0.1
92.29813	0.1
96.24406	0.1
113.02441	0.1
117.38680	0.1
184.96509	0.1
277.21768	0.1
278.22171	0.2
279.22400	0.2
320.22159	0.1
397.13797	0.1
398.14075	0.1
399.14105	0.2
400.14542	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	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.61929	0.1
61.98833	100.0
62.98549	0.2
71.01399	0.2
98.19846	0.2
106.62685	0.1
110.20600	0.1
110.78843	0.1
118.61514	0.1
158.92265	0.1
180.26758	0.1
224.77228	0.1
277.21829	0.2
278.22137	0.3
294.85510	0.1
398.13724	0.2
399.14093	0.2
400.14572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45055	0.2
65.00335	0.3
65.32611	0.2
69.60001	1.6
80.11139	0.3
80.39711	0.2
93.03481	0.8
98.19907	0.4
107.01388	0.4
117.03460	0.4
123.04519	0.3
125.02445	0.5
133.27072	0.2
136.02422	0.3
137.02359	0.3
151.00417	1.2
153.02045	0.3
159.04524	0.6
163.00459	0.3
169.01485	0.3
169.06612	0.5
171.04573	0.5
178.99883	0.3
183.04491	0.7
185.06038	0.5
187.03992	0.4
211.03969	1.3
213.05403	0.3
215.03545	0.3
227.03506	26.1
228.03873	2.0
229.05055	0.5
239.03535	0.4
243.02943	0.6
255.02991	41.1
256.03574	6.0
257.04437	0.5
262.55161	0.2
283.02505	12.3
284.03271	44.5
285.04041	78.2
286.04401	6.9
286.07666	0.3
299.05750	0.4
327.05032	0.8
431.09842	100.0
432.10175	12.6
447.09409	0.3
515.66046	0.3
593.14850	1.4
594.15820	0.3
619.07330	0.3
621.48456	0.3
680.95850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52952	0.6
59.01381	13.1
67.48569	0.6
68.31742	0.5
77.29270	0.6
81.03472	4.3
83.05030	11.9
97.31014	0.6
98.20623	1.7
129.59451	0.6
145.95720	0.7
174.71100	0.7
183.26262	0.6
207.14999	1.0
212.31461	0.6
224.17656	1.9
225.16135	10.2
226.16382	1.2
327.63638	0.8
328.71210	0.6
341.29337	1.1
407.33560	0.7
433.32004	1.1
450.34695	0.7
451.32855	6.8
452.33054	1.1
550.43250	0.9
632.45551	0.7
659.48694	1.4
677.49707	100.0
678.50012	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48389	0.2
53.48662	0.2
59.01379	0.6
60.99313	16.4
61.98832	0.8
71.01374	0.5
71.15831	0.4
79.95745	0.4
80.96519	0.8
87.00879	0.9
88.00415	3.1
88.01198	0.3
88.98813	100.0
89.02451	8.1
89.99164	0.9
122.04470	0.3
146.26341	0.2
166.10167	0.3
167.27527	0.3
208.04312	0.2
249.18582	0.4
252.60458	0.2
288.67981	0.2
382.61508	0.3
397.13535	0.9
504.54050	0.3
702.23340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53701	0.3
52.93430	0.3
59.01376	0.6
60.99313	16.4
61.98828	1.2
68.61621	0.3
71.01393	0.4
71.15757	0.6
79.95760	0.5
80.96510	0.8
87.00884	1.2
88.00430	2.2
88.98813	100.0
89.02450	7.9
89.99146	1.2
101.02461	0.4
122.89383	0.3
134.20764	0.3
134.94907	0.3
147.51071	0.3
148.90990	0.5
165.72279	0.3
167.59236	0.3
221.77550	0.3
249.18495	0.6
397.13641	0.7
399.81598	0.3
410.06473	0.3
550.53949	0.4
701.24072	0.3
737.33398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
59.01366	2.0
61.98843	2.1
69.33122	14.2
71.01401	1.6
78.86549	1.4
78.95909	41.8
83.83627	1.4
84.34888	1.5
85.02951	7.4
85.06631	1.5
85.35374	1.4
94.22058	1.6
96.96022	2.2
97.06602	4.3
110.98544	24.5
125.09686	1.9
127.11160	1.8
137.09747	2.2
152.99588	11.2
167.01164	14.9
171.10277	22.1
183.13930	8.5
185.02151	4.4
196.89478	1.8
209.11897	2.5
211.13496	8.4
211.15190	1.9
229.14458	6.1
253.21742	32.3
254.22028	4.1
255.23274	22.0
291.19724	2.7
297.69467	1.6
309.20898	2.0
327.21777	24.8
328.22028	3.4
423.24936	4.3
468.57050	2.0
477.22855	1.9
495.23767	100.0
496.23883	11.2
593.46021	1.7
731.45013	44.6
732.45563	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	733.376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47178	0.9
58.55814	1.1
59.01382	19.7
60.67942	0.9
61.92683	0.9
71.01394	10.4
72.99317	1.8
73.02949	1.4
82.02973	2.4
83.05019	1.1
84.04535	1.8
85.02945	2.7
89.02425	1.3
96.96017	3.0
101.02445	3.1
103.00378	1.0
109.04063	4.9
113.02444	2.7
115.00373	3.0
122.06139	1.4
127.05138	24.2
128.03555	24.7
132.31641	1.2
133.01414	2.4
134.03725	1.4
134.06129	1.8
145.06201	20.5
148.66751	1.1
154.08762	7.0
156.13931	2.4
163.07634	1.2
165.92511	1.1
172.09781	1.0
181.07059	0.9
238.70622	1.1
251.17648	4.3
269.18738	1.5
297.07620	3.7
306.07651	2.0
308.14810	1.3
309.07712	4.1
312.09998	2.9
323.09375	2.1
324.09995	4.2
327.12387	15.4
339.12393	13.0
339.25647	1.5
343.57007	1.0
423.32260	2.1
473.47906	1.1
521.21002	2.4
522.21381	4.0
568.26294	1.2
617.29254	1.5
689.38678	100.0
690.39050	19.0
733.28448	1.4
733.39178	11.7
734.38873	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39653	0.3
59.01381	11.3
61.98811	0.4
71.01373	0.8
72.54238	0.3
80.05059	1.9
88.98798	0.3
94.06596	0.4
96.95997	0.6
106.06622	4.4
107.03765	0.5
108.04562	4.7
108.08221	1.4
115.00365	0.9
118.06621	0.6
121.05327	0.9
122.06136	4.9
132.04562	2.2
132.08189	0.4
133.01419	3.1
133.02930	0.5
134.06126	16.4
134.09706	0.4
135.06441	0.5
136.07690	6.5
145.05290	0.4
146.06146	1.9
148.07646	1.4
152.07199	6.4
158.06102	0.6
160.07706	1.9
160.76602	0.3
162.05612	1.8
162.09253	7.8
163.09598	0.3
165.59915	0.3
169.48845	0.3
174.25214	0.3
177.02013	0.3
179.10783	0.5
180.06665	15.5
181.06937	0.4
183.09317	0.3
188.07199	1.9
190.08711	0.5
194.08141	0.3
197.10828	0.4
199.12437	0.6
206.08208	1.8
211.08727	1.8
211.12209	0.3
213.10248	0.9
223.08583	0.4
223.12373	0.5
224.09558	0.5
225.10295	2.3
226.07497	0.4
226.10938	0.4
227.11858	1.7
231.10236	0.4
234.07721	0.4
236.09425	0.4
237.10339	0.9
238.10999	1.4
239.08324	0.7
239.11859	2.0
241.09779	1.8
241.13612	0.6
251.08273	0.4
251.11816	1.8
252.08827	0.4
253.09819	3.3
253.13481	1.8
254.10219	0.3
264.09064	0.4
266.10611	2.3
267.11447	1.8
268.12152	0.8
269.12964	2.8
275.09259	0.5
277.09763	0.7
279.11371	8.0
280.11935	0.6
281.12958	6.2
282.13339	0.8
285.12445	2.7
295.10870	1.2
295.14465	0.8
297.12253	0.8
307.11029	0.6
311.13733	0.4
312.11136	0.6
313.11880	3.6
325.11926	0.9
330.16202	0.4
339.13281	0.8
358.15714	0.4
360.17160	0.7
372.17145	0.6
388.16602	0.8
388.20721	0.6
400.16586	0.7
401.17252	0.3
404.19644	1.1
414.18372	0.7
416.19772	0.9
432.19229	4.1
433.19858	0.6
442.17661	1.0
448.18634	0.4
450.20071	0.6
460.18750	9.9
461.18912	1.5
478.20050	2.1
492.21478	2.1
495.89322	0.4
502.19641	0.5
520.20880	100.0
521.21204	15.8
546.18683	0.7
615.07330	0.3
625.27069	0.4
643.27100	0.3
748.66809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39648	0.5
59.01098	0.9
59.01381	15.8
61.98822	2.7
63.65260	0.6
68.72742	0.5
71.01383	3.4
71.59862	0.7
71.60261	0.6
80.05072	2.7
84.04560	0.8
85.02944	0.8
89.02467	0.9
96.96017	1.0
101.02444	1.2
106.06625	4.1
107.04942	0.5
108.04570	6.2
108.08187	1.8
109.04070	0.9
115.00337	0.9
120.04590	0.5
122.06126	6.2
127.05128	4.3
128.03554	5.2
132.04558	2.8
134.06128	15.8
136.07692	7.5
144.04645	0.6
145.06210	3.7
146.06082	1.7
148.07683	1.6
152.07170	6.8
160.07713	1.4
162.05611	2.0
162.09245	8.0
180.06668	13.9
188.07173	1.8
206.08203	1.7
211.08786	2.1
220.47209	0.5
223.08766	0.6
224.09497	0.5
225.10303	3.2
227.11838	1.2
238.11052	1.5
239.11903	2.0
241.09792	1.1
241.13460	1.7
251.11903	1.7
253.09747	3.9
253.13467	1.7
265.09680	0.7
266.10562	2.0
267.11313	2.0
268.12048	0.6
269.12891	2.8
279.11365	8.9
280.11884	0.9
281.12918	6.1
282.13303	0.8
285.12442	2.4
295.10876	1.0
301.10754	0.7
303.13531	1.8
311.14310	0.6
313.11978	3.2
339.13419	1.0
360.17151	0.7
372.17267	1.3
388.20355	0.7
391.29639	0.8
400.16690	1.1
404.19531	0.8
416.19998	1.2
432.19434	3.3
442.17734	1.2
460.18829	10.6
461.18954	1.6
463.75089	0.6
478.19537	1.7
492.21527	1.5
520.20880	100.0
521.21173	17.2
549.44482	0.7
553.20795	0.8
567.60901	0.6
643.27734	0.8
669.35510	0.7
687.37170	16.5
688.38300	2.6
731.37946	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	729.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74192	2.0
52.12502	2.0
53.00301	2.1
59.01381	11.2
61.98840	16.0
70.03092	2.0
71.01383	83.2
71.30857	2.2
71.31178	3.9
78.95909	3.7
87.00917	2.6
89.02441	3.2
94.39703	2.1
95.05028	2.6
97.06596	4.7
101.02470	4.1
109.06618	3.6
113.02555	2.3
116.92914	2.3
125.06099	23.7
135.08144	4.1
143.07149	48.3
152.99573	3.5
153.05608	11.2
173.08231	4.3
174.34564	2.5
179.07149	5.3
196.94073	2.3
197.08304	3.0
235.08142	5.3
244.39227	2.1
253.09222	9.9
277.21744	100.0
278.22006	14.9
518.01770	2.8
566.42206	2.3
729.40601	10.2
730.41260	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	731.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
60.99310	19.4
61.98835	49.7
71.60430	0.9
72.55350	0.6
87.00882	11.7
88.00394	1.8
88.01220	0.7
88.04051	1.5
88.98814	100.0
89.02448	28.2
89.02998	1.6
89.99171	1.1
134.04712	0.8
151.89145	0.8
247.50314	0.8
424.11807	0.8
438.13559	2.3
439.13995	1.3
451.14590	0.8
467.13754	2.4
481.15158	18.2
482.15671	8.0
483.16119	0.9
495.16797	1.5
496.17859	1.1
497.18344	4.9
514.15002	8.1
515.14984	1.8
528.17065	1.0
540.16852	4.3
555.18884	42.9
556.19006	11.7
572.15637	6.7
573.15485	1.7
586.17712	1.1
641.22327	1.8
659.23706	25.9
659.34705	1.5
660.23737	7.2
731.25043	6.5
732.25671	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.1
61.98842	4.2
71.01393	1.4
71.60302	0.9
72.00889	0.6
73.02980	0.6
79.95733	0.8
95.05049	0.8
96.96011	9.3
101.02460	0.9
103.00387	0.6
104.05055	0.7
106.06604	0.9
108.04597	0.7
111.58701	0.6
115.00372	1.3
116.05109	0.6
120.04532	1.8
121.05347	1.8
122.06125	5.4
132.04561	10.3
134.03809	0.7
134.06123	6.2
135.06960	0.7
136.07681	9.6
137.08037	0.6
144.04558	2.5
145.06190	2.0
147.37007	0.6
158.06149	1.4
162.05592	1.7
171.11806	1.2
176.03508	8.0
177.03983	0.9
178.02628	0.7
184.65486	0.7
188.03532	1.3
189.10510	0.7
198.09233	1.9
199.10060	1.2
214.12370	9.8
215.12784	0.7
226.07431	0.9
227.08209	1.9
228.08990	0.8
229.09828	3.7
230.07266	0.7
230.11821	4.3
238.98607	0.7
241.09814	7.4
242.10603	14.9
243.10919	1.1
251.11815	0.9
256.99646	1.9
257.12955	77.9
258.13287	5.8
275.28152	0.6
279.11481	3.4
283.10925	2.7
295.92447	0.6
301.11942	100.0
302.12320	9.2
323.10370	4.7
339.13617	1.0
383.12479	27.4
384.12637	3.1
460.30472	0.6
569.23700	0.9
577.68097	0.6
641.26208	2.3
643.26770	3.0
651.86591	0.6
666.48560	1.4
685.27625	1.6
729.26501	2.5
729.37262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76962	2.5
53.59355	3.0
59.01383	24.7
61.98565	2.2
61.98843	18.3
71.01398	28.8
71.60803	3.5
71.61166	2.9
72.99302	3.3
73.02955	5.3
75.22310	2.5
78.95889	6.0
85.02934	5.3
85.14484	2.6
85.78542	2.4
87.00888	5.3
89.02444	21.1
95.01398	2.5
95.73114	2.8
99.00833	3.3
100.09667	2.5
101.02470	18.1
113.02434	6.2
119.03484	6.0
125.02434	9.0
143.03464	4.0
161.04570	4.5
176.85738	2.5
179.05664	4.1
181.08589	3.8
182.77873	2.6
221.06583	2.5
235.08168	10.1
269.24860	72.4
270.25104	6.8
277.21750	6.4
305.08948	3.2
397.13501	100.0
398.13531	12.7
415.14554	29.1
667.39709	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	727.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.5
61.98822	2.4
69.69920	0.7
70.93952	1.8
71.01393	1.2
72.11490	0.7
78.95905	3.0
87.00896	0.9
89.02461	1.5
101.02438	0.8
118.82088	0.8
127.11320	1.4
127.67318	0.7
138.21906	0.7
152.99635	3.9
169.38092	0.7
171.10281	100.0
172.10632	4.3
176.54248	0.9
196.23895	0.9
235.08231	2.4
253.09271	4.7
255.23341	2.7
277.21729	48.9
278.22119	4.5
322.71359	0.7
407.19315	2.4
691.38690	1.3
709.38983	2.8
727.37274	1.0
748.57568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.7
59.01380	42.1
59.68010	1.6
67.01903	2.4
69.03451	12.3
70.80226	5.9
71.01383	24.4
71.90376	1.8
72.99319	3.0
73.02949	14.0
81.03438	2.1
83.01406	5.1
83.05027	4.4
85.02444	3.3
85.02957	69.3
87.00880	100.0
92.98494	1.8
93.03471	7.4
95.01389	23.3
97.02961	28.3
99.00874	3.0
99.04536	2.7
103.04034	9.2
108.39131	1.9
109.02956	9.1
111.00908	9.9
113.02469	18.6
115.00426	13.5
125.02442	3.2
126.23077	2.0
127.04019	17.2
129.01933	2.5
133.01445	7.2
135.04556	2.8
137.02451	3.6
139.00374	16.4
145.05081	8.2
155.03522	3.8
157.01402	11.9
169.05040	5.5
171.02982	2.2
173.04582	3.4
175.02495	62.1
176.02910	2.9
179.03520	2.8
191.08246	3.0
199.02496	38.9
200.02750	3.7
202.84450	1.9
217.03519	21.7
223.02350	2.0
248.47403	2.1
285.06311	2.9
293.62979	2.5
303.07196	14.6
321.08267	7.8
345.08270	8.4
387.09320	16.9
405.10596	9.0
458.76816	2.4
552.82544	1.9
623.14606	8.6
709.18274	17.9
710.18878	4.2
727.19763	20.2
728.19910	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	725.194
Annotation	Kaempferol 3-xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.06766	0.3
56.59963	0.3
70.24236	1.2
84.91932	0.3
100.40808	0.3
107.01351	0.7
107.26330	0.3
115.00404	0.6
117.03428	0.3
125.02457	0.5
134.03723	0.4
137.02406	0.4
151.00385	1.4
174.03183	0.3
183.04495	1.0
185.06097	0.3
193.05019	0.7
202.86848	0.3
211.03986	0.6
227.03496	22.5
228.03839	2.2
239.03276	0.4
240.04251	0.4
243.03070	0.4
255.02986	39.4
256.03534	5.7
257.04501	0.4
283.02493	13.7
284.03265	45.5
285.04034	56.2
286.04404	3.8
327.05249	0.4
352.97403	0.3
417.08282	100.0
418.08624	10.6
579.13470	1.2
592.14642	0.4
593.14972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76460	1.2
52.40095	1.3
55.01881	1.7
57.03458	1.7
58.35815	1.1
59.01382	22.5
61.98825	8.4
67.23143	1.2
70.02997	1.3
71.01392	15.7
71.60181	1.8
73.02958	7.0
79.67768	1.2
83.01379	3.2
83.05019	2.0
85.02950	6.2
87.00873	1.5
89.02451	2.0
95.05042	4.7
96.96024	12.0
97.02989	1.5
99.04475	2.1
101.02439	5.5
101.06112	2.8
104.28951	1.1
109.06615	7.7
113.02483	4.0
113.06107	1.2
115.00394	1.5
115.04067	1.8
116.92908	1.4
121.02984	1.2
124.07702	1.7
126.09276	1.3
127.05164	3.5
128.03590	2.4
145.05074	3.7
145.06221	4.3
157.05118	1.2
162.92220	1.2
179.10820	4.1
188.09279	2.4
198.07841	1.2
205.04387	1.7
241.21700	2.6
279.28748	1.3
297.07611	2.3
309.08099	2.4
324.09930	1.3
327.12375	5.8
339.12439	3.7
403.26660	2.3
447.78326	1.2
449.27325	3.7
473.28397	1.3
491.28760	2.4
504.31396	1.4
550.23090	1.8
599.32062	2.2
600.32074	9.3
602.35138	3.4
620.36218	5.6
662.37793	8.5
680.28888	4.1
680.38617	100.0
681.27710	1.9
681.38995	18.7
724.26941	2.5
725.27539	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	723.345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01388	23.5
61.98835	3.7
69.03464	1.7
71.01385	18.4
71.32397	0.9
72.99294	1.4
73.02953	2.2
80.02694	0.9
81.03455	1.8
81.86678	0.9
83.01396	1.9
83.05030	6.7
84.02180	2.0
85.02943	5.2
87.00880	3.8
87.04510	1.0
89.02453	16.7
95.01365	1.3
95.05014	1.1
96.96010	3.6
97.02969	4.0
97.06601	1.6
99.00875	1.3
101.02454	16.4
111.08147	1.0
113.02468	6.6
115.00401	2.2
119.03512	5.2
119.05103	0.9
121.02959	1.2
125.02477	5.5
127.07597	2.2
128.03488	0.9
131.03493	1.7
133.01430	2.7
135.08171	0.9
143.03473	2.9
161.04561	4.0
163.11316	3.5
164.67361	0.8
165.12865	2.2
171.03120	1.0
178.09975	1.6
179.05591	4.1
179.07179	4.9
179.10773	1.2
181.12305	1.1
185.11870	2.5
191.02176	0.9
193.05074	1.0
197.11816	3.3
209.11845	100.0
210.12169	6.4
227.12901	11.5
235.08240	4.8
238.12190	1.1
239.09291	3.0
253.09267	2.1
263.20233	1.0
285.03867	1.2
287.07700	1.0
289.18143	3.8
305.08774	1.6
307.19165	39.7
308.19476	4.1
325.20175	20.4
326.20496	1.0
397.13556	42.6
398.13925	3.1
415.14627	30.8
415.20081	0.9
416.14896	2.6
431.57480	1.0
563.25153	3.4
607.24390	4.1
636.26453	1.4
663.48370	1.8
681.37360	1.3
705.33282	11.0
706.33691	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	723.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
58.00610	1.7
59.01383	26.1
59.70118	1.2
61.98828	4.2
62.83751	1.3
64.18967	1.2
66.86136	1.1
69.03438	1.6
70.62555	1.2
70.76027	2.7
71.01388	22.0
72.99316	3.8
73.02952	4.4
80.02720	1.4
81.03458	2.5
83.01385	3.1
83.05035	7.1
85.02973	6.4
87.00896	3.6
89.02452	18.5
95.01417	1.4
96.96005	3.7
97.02962	3.6
97.06554	1.8
99.00887	1.8
101.02451	19.0
101.28967	1.2
105.96467	1.1
108.02171	1.0
109.06582	2.9
111.00923	1.2
113.02462	9.5
115.00372	1.5
119.03490	4.5
123.02360	1.2
125.02437	5.8
125.06126	1.6
125.97443	1.0
127.07716	1.7
128.03517	1.4
131.03442	1.2
133.01418	2.7
133.72847	1.0
135.04529	1.4
143.03485	1.4
161.04541	5.1
161.09602	1.2
163.11290	5.8
165.12825	3.6
168.46848	1.2
171.10245	1.5
179.05609	4.4
181.12372	1.9
185.11798	3.4
191.10779	2.1
197.11819	7.1
209.11841	100.0
210.12181	6.5
211.13409	3.7
221.06851	2.0
227.12912	11.5
228.13136	1.6
235.08148	5.3
238.12067	1.2
253.09340	3.1
278.03342	1.2
285.03989	1.2
289.18060	4.0
307.19128	35.6
307.22485	2.4
308.19751	2.5
312.94772	1.2
325.20200	37.1
326.20456	4.0
397.13519	46.9
398.13882	2.9
415.14551	33.4
416.14932	2.5
607.25256	1.5
663.36096	3.0
681.37909	1.6
705.33582	10.5
706.33557	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	723.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.0
61.98830	1.2
63.48147	0.4
71.01379	1.6
71.60801	0.5
72.99310	2.6
75.00878	100.0
76.01223	1.2
85.02965	0.5
87.00892	0.8
89.02448	1.7
96.96046	0.4
101.02454	1.3
113.02441	0.8
119.03494	0.4
132.01877	0.4
150.77655	0.4
161.04594	0.5
179.07117	0.6
191.25191	0.4
192.63164	0.4
235.08195	0.5
249.18602	4.1
253.09322	0.6
397.13519	8.6
398.13855	0.8
415.14664	2.5
571.23328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63228	0.4
52.45234	0.4
53.31291	0.4
59.01369	1.8
61.98835	27.3
70.59285	1.5
71.01363	1.2
72.99313	0.5
85.02927	0.7
89.02473	0.7
93.03432	0.5
96.96024	2.1
113.02447	0.5
115.00398	0.6
116.05075	8.4
117.74437	0.5
128.03523	0.6
133.01447	1.8
137.02446	0.6
163.00385	2.9
176.01064	1.0
177.01941	0.6
183.04608	0.9
195.04556	0.5
197.06064	1.7
197.11652	0.5
199.04036	4.5
201.05478	1.1
206.13104	0.4
211.04036	0.9
223.07646	0.5
224.04785	1.0
225.05562	2.2
227.03487	5.8
228.04042	0.5
236.07329	0.5
239.03508	14.4
239.05945	0.7
240.04091	1.6
241.05142	2.8
248.07124	0.7
251.05933	0.6
253.05113	0.6
255.02974	1.1
264.06570	0.8
265.10602	0.8
267.03018	6.9
268.03702	3.3
269.04532	10.3
270.04865	0.6
280.06241	0.7
285.03986	0.9
295.02521	1.6
296.03271	7.3
297.04041	17.5
298.04379	1.3
340.09772	2.1
354.58221	0.4
356.09241	7.8
357.09793	1.6
366.07764	1.9
384.08786	4.2
385.09207	1.8
412.08310	2.2
413.09085	31.3
414.09677	6.6
428.36295	0.5
459.09256	1.9
559.15308	0.6
560.15576	1.2
576.15118	100.0
577.15405	15.2
722.20581	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	722.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86433	0.5
59.01389	1.3
61.98833	9.5
69.84442	2.8
71.01397	1.6
78.88208	0.5
83.01383	0.6
93.03450	0.6
96.96009	3.5
98.20641	0.5
101.02455	0.5
116.04324	0.8
116.05070	10.8
123.04517	1.1
133.01379	0.7
137.02501	0.8
163.00368	3.3
173.06108	0.6
181.06682	0.6
185.02251	0.5
185.77235	0.5
195.04504	0.6
197.06033	1.9
199.04048	4.9
211.03966	1.3
223.04082	1.0
225.05540	2.6
227.03500	6.0
228.03928	0.7
236.07153	0.6
239.03497	14.8
240.03896	1.8
241.05058	3.5
248.07004	0.8
250.05099	0.8
253.05174	0.8
255.03018	1.6
267.02982	7.7
268.03729	3.3
269.04538	11.6
270.04816	0.8
285.04077	1.6
295.02448	1.3
296.03253	5.9
297.04028	20.3
298.04337	1.5
340.09708	2.3
356.09244	10.2
356.13269	0.9
357.09610	1.4
366.07700	2.1
384.08658	5.4
385.09381	1.8
412.08414	2.0
413.09082	30.6
414.09686	11.0
415.09952	1.0
447.23456	0.6
459.09415	1.9
554.45380	0.6
560.15778	3.6
561.16718	0.6
576.15118	100.0
577.15417	15.3
606.38940	0.9
686.40051	1.0
722.20923	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	721.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27755	1.0
55.01875	1.2
57.03439	1.4
58.00606	1.1
59.01097	1.4
59.01384	27.3
60.22390	1.0
61.98826	3.9
69.03461	2.2
70.21513	4.0
71.01387	26.6
72.99320	1.8
73.02951	2.9
80.79928	1.0
81.03440	1.6
83.01394	3.8
85.02966	6.2
87.00875	5.3
89.02451	27.2
95.01416	1.8
97.02968	5.2
99.00888	1.7
101.02451	21.4
111.00898	1.1
113.02457	11.3
119.03506	6.8
125.02461	9.4
131.03467	1.5
143.03523	3.4
161.04546	4.1
179.05614	4.7
235.08226	10.7
253.09325	1.8
255.23354	1.4
277.21735	75.9
278.22089	7.7
287.07608	2.5
305.08734	3.7
323.09808	2.3
324.22604	0.9
326.83875	0.9
397.13525	100.0
398.13705	7.6
415.14587	39.3
415.18698	0.7
416.14841	3.0
571.12891	1.1
598.07556	1.1
675.35101	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67009	0.6
52.52689	0.6
54.58372	0.5
59.01379	1.8
61.98565	0.8
61.98840	8.4
67.62408	0.6
71.01382	2.7
71.60215	0.7
77.49957	0.6
79.95741	0.8
83.01409	0.7
85.02938	1.0
89.02438	0.7
96.96015	4.3
101.02438	0.7
113.60806	0.5
115.00375	1.3
116.05072	17.0
117.05424	0.8
123.04536	1.4
124.10608	0.8
133.01462	1.2
133.02948	0.9
137.02469	0.5
147.00851	0.8
156.11093	0.6
163.00412	2.9
168.04546	1.3
181.06557	0.6
191.02055	0.7
211.03978	1.4
213.05629	0.6
225.05553	1.0
227.03416	0.8
239.03505	9.1
240.04088	2.0
240.42708	0.6
241.05057	1.7
253.05051	1.2
255.02924	0.9
264.10349	2.4
267.02972	10.9
268.03757	3.9
269.04504	4.9
272.08722	0.8
278.04556	1.1
285.04025	5.3
292.06039	0.7
296.03183	5.7
297.04065	11.7
298.04538	0.8
333.44821	0.6
356.09207	5.7
360.09940	0.9
382.34653	0.7
384.08759	9.4
385.09500	3.1
412.08313	19.7
413.09030	24.5
414.09747	10.0
415.09918	1.4
459.09357	1.4
558.14374	1.2
559.15088	1.4
560.15485	1.7
576.15118	100.0
577.15509	15.8
589.71692	0.6
606.39172	0.9
634.28687	0.8
642.25323	0.7
689.10687	0.7
722.20563	5.9
723.21716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02413	0.3
57.62861	0.3
59.01381	100.0
60.01732	0.9
61.98829	0.8
69.59703	2.2
71.01367	0.6
89.02451	0.4
96.96023	1.8
114.05612	3.2
115.00395	0.7
119.04951	0.4
121.02976	1.4
132.04625	0.5
133.01445	1.0
145.03004	0.4
150.05592	0.4
156.06662	3.6
163.04022	0.6
175.04047	1.2
190.06389	0.8
203.07393	0.5
219.08124	0.4
222.05414	1.4
239.07249	0.6
249.05855	0.4
251.07182	0.8
253.08665	0.6
257.13031	0.9
261.05634	0.5
262.06284	0.4
263.07227	1.6
267.06595	0.6
269.08289	1.8
278.09488	0.4
279.06757	1.4
281.08258	3.0
282.08905	0.5
283.09924	0.5
285.04056	0.9
291.06738	0.9
293.08331	1.1
294.09097	1.4
295.09552	0.5
296.10602	1.1
297.07745	8.3
297.11008	0.7
298.08115	0.8
301.11826	0.4
308.10666	1.2
309.07809	13.6
309.11426	3.4
310.08237	1.1
312.10052	9.1
312.13379	0.6
313.10397	0.4
323.09210	3.1
324.10010	8.9
324.13495	0.6
325.10452	0.8
327.12378	40.0
328.12671	3.9
339.12363	39.8
340.12677	4.5
487.16119	0.4
615.24866	1.1
657.25525	0.8
675.27399	0.7
688.60974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98836	79.4
71.09645	2.8
71.09981	3.0
78.95893	2.2
92.11774	1.5
152.99527	1.9
193.66487	1.7
257.77161	1.8
325.13870	1.9
425.85291	1.6
452.14920	1.6
452.21759	1.8
452.28574	1.7
459.16769	2.2
481.11264	3.1
495.16748	2.6
496.13782	16.8
497.14304	10.0
498.15445	2.8
510.15240	6.0
511.16183	9.0
512.16608	4.2
513.17584	6.7
527.18939	1.9
529.94543	1.7
539.19733	3.0
544.15833	5.4
545.17291	2.0
567.18854	11.6
568.19037	2.1
571.18390	15.6
572.18774	4.3
597.19537	3.0
598.20563	3.4
599.21442	37.1
600.22021	8.9
630.19751	3.1
631.20154	2.2
654.24707	1.8
657.21991	20.0
658.22308	4.9
671.90741	2.0
717.24152	82.7
718.24353	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	717.382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42027	1.0
57.47997	0.8
58.00594	0.8
59.01099	1.5
59.01383	19.7
61.98848	5.8
71.01391	8.7
71.60496	0.9
71.60918	1.1
73.02953	4.2
74.02470	1.0
78.95867	0.9
79.85040	0.8
82.02993	2.1
83.01381	1.6
84.04545	1.6
85.00038	0.8
85.02956	3.7
89.02441	2.0
94.28962	1.0
96.95995	1.9
101.02451	3.5
101.07204	1.0
102.05624	2.6
109.04086	4.2
113.02464	1.6
115.00373	2.0
127.05145	25.1
128.03557	21.5
133.01457	2.5
139.66139	0.9
145.06216	7.2
146.04561	1.4
171.10204	2.1
243.08232	1.0
329.13977	1.3
347.30707	1.6
359.30399	1.8
373.32214	2.2
377.31516	2.7
389.31635	1.7
407.32996	1.2
451.31714	3.2
453.33347	1.2
583.25708	3.6
600.24561	1.1
601.29797	1.5
631.38184	2.6
655.38513	2.8
673.39178	100.0
674.39331	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
61.98832	100.0
62.98533	0.2
62.99250	0.1
69.40730	0.1
71.01394	0.2
78.95936	0.1
89.02470	0.1
94.08537	0.1
101.02465	0.1
109.12148	0.1
120.64439	0.1
148.82794	0.1
252.23079	0.1
255.23300	0.1
256.23694	0.2
257.24057	0.1
289.07071	0.1
399.14072	0.2
400.14362	0.1
532.31152	0.1
692.98755	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64025	0.1
59.01390	0.2
61.98833	100.0
62.98530	0.1
62.99274	0.1
71.01402	0.2
77.73394	0.1
78.55764	0.1
89.02443	0.1
98.19897	0.2
105.88420	0.1
129.38646	0.1
159.33095	0.1
169.28720	0.1
199.27420	0.1
255.23323	0.2
256.23672	0.1
277.21948	0.1
353.65884	0.1
397.13699	0.1
398.14255	0.1
399.14047	0.2
400.14481	0.1
737.91223	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	717.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97935	1.1
59.01378	2.5
60.99313	4.2
61.98833	4.4
70.52331	3.4
77.19241	1.2
78.95897	1.6
88.98817	17.0
96.57971	1.1
110.94550	1.2
116.92847	1.4
118.12481	1.1
121.05164	1.2
147.79002	1.1
341.51898	1.2
404.96152	1.2
452.14905	2.0
481.15298	4.1
482.15427	1.5
495.16888	8.2
496.16632	2.1
540.16528	2.8
551.19446	28.9
552.19409	6.2
572.15466	2.8
586.17401	2.7
595.18713	4.6
627.20996	100.0
628.21222	25.8
629.21387	2.1
717.25293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56033	0.7
57.59008	0.7
61.98836	100.0
66.44457	0.8
69.95903	3.2
75.20756	0.7
78.95907	2.9
82.41119	0.8
90.99078	0.8
98.20560	0.9
102.91473	0.8
114.50611	0.9
119.00490	0.7
152.99606	1.9
222.34349	0.8
354.62024	0.8
615.50757	0.8
659.86438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.2
61.98835	100.0
62.98528	0.3
70.04022	0.8
78.95918	0.2
107.33220	0.2
109.59645	0.2
125.56940	0.2
126.86300	0.2
196.73697	0.2
201.11383	1.0
209.11821	1.4
210.12173	0.8
214.24576	0.2
227.12801	0.3
241.92923	0.2
249.18626	1.0
250.18982	0.6
284.38385	0.2
303.35049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68942	0.9
69.48968	2.6
69.49375	4.7
71.01372	4.0
71.80457	0.9
72.08017	0.9
74.24583	1.1
74.49233	1.1
95.05035	1.8
96.96018	1.2
105.03445	3.1
108.93281	1.0
115.00362	3.1
123.04537	1.4
133.01450	1.8
133.02966	23.7
134.03712	4.1
135.04482	1.6
137.02396	1.7
140.29260	1.0
170.83493	1.0
177.01936	17.0
178.02739	7.9
179.03484	3.1
183.10289	2.5
289.78452	1.0
299.13004	1.2
307.92413	1.1
419.19223	2.0
533.17816	1.3
547.92883	1.0
553.22955	2.6
564.49084	1.0
586.56250	1.0
597.21924	11.5
598.22394	2.1
677.49713	4.0
697.72705	1.1
713.47418	100.0
714.47607	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00823	1.1
59.01381	11.6
61.98836	13.2
70.23645	1.1
71.01369	5.1
71.60516	1.4
73.02991	1.2
78.95919	1.3
81.03503	1.4
83.05038	7.1
85.02956	2.6
89.02428	5.0
97.06573	2.8
99.00953	1.4
101.02457	6.1
109.06594	2.0
113.02444	3.4
119.03453	2.2
135.08165	3.0
137.06084	2.1
138.34236	1.2
148.71262	1.2
155.07115	6.1
171.10283	2.3
173.08156	7.3
181.08728	41.4
182.08972	3.4
189.87030	1.3
199.09729	2.9
201.94397	1.1
215.99554	1.3
225.11299	2.0
235.08298	7.5
253.09251	13.8
255.23299	5.1
277.21722	100.0
278.22015	9.2
284.57489	1.3
313.47217	1.3
397.13565	5.7
645.58820	1.3
713.40045	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	712.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01645	0.1
56.20607	0.1
59.01375	0.6
61.98834	100.0
62.98525	0.2
71.01440	0.1
78.48802	0.1
80.24056	0.1
94.68547	0.1
101.02491	0.1
105.86786	0.1
106.94732	0.1
116.21761	0.1
123.04475	0.1
153.23943	0.1
181.08763	0.2
183.10268	0.3
211.13251	0.1
212.13834	0.1
224.61545	0.1
252.20590	0.2
253.09442	0.2
277.21890	0.2
398.14258	0.1
506.51428	0.1
537.91199	0.1
649.91180	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	713.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44550	1.1
51.68528	1.1
59.01381	25.1
61.98838	5.9
66.52998	1.1
71.01398	5.3
71.60792	1.3
75.15329	1.2
78.95940	1.3
80.05058	1.6
83.01372	1.7
85.02961	2.0
88.98760	1.4
96.96019	6.2
101.02448	3.0
106.06609	4.2
107.17098	1.2
113.02474	2.0
115.00323	1.5
120.08178	3.3
121.05334	3.8
122.06129	18.0
132.04546	2.4
133.01401	1.2
134.06133	11.2
145.06181	1.4
148.07710	2.6
150.18465	1.3
160.06439	9.0
193.05052	1.2
198.12865	1.3
209.94315	1.3
213.10355	40.0
214.10597	3.1
225.10324	2.6
226.11029	3.2
239.11874	9.2
241.13451	22.6
242.13576	1.2
251.11801	4.3
267.12122	1.5
267.14990	8.3
279.11380	13.8
280.11688	1.2
285.12451	100.0
286.12762	7.2
316.14658	1.7
339.13467	9.5
344.14185	1.3
374.18414	1.5
521.25665	3.3
565.24646	22.9
566.24725	3.4
581.27997	2.0
583.25562	2.8
625.26733	73.7
626.27081	14.3
652.40112	2.8
653.40063	3.3
669.35779	2.2
671.40881	1.4
713.32684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90362	0.6
55.01870	2.7
59.01381	8.0
61.98830	5.2
69.03449	1.3
69.59168	4.9
71.01370	4.9
71.05029	1.8
73.02931	1.6
83.05015	1.2
85.02934	0.8
87.00880	1.4
89.02430	2.2
95.05027	9.4
96.10419	0.7
97.02970	1.0
97.06597	15.0
97.67245	0.6
99.00886	45.4
99.52950	0.7
100.01157	0.8
101.02446	3.1
113.02463	0.8
117.07086	1.2
123.04488	3.4
127.11223	0.8
135.08160	7.6
142.02687	1.0
143.07039	1.3
145.05051	1.0
151.07570	0.9
153.09227	20.5
154.09560	0.8
161.04582	1.3
164.75737	0.7
169.41833	0.7
171.10266	11.8
179.07106	3.6
184.26099	0.8
197.08174	16.9
198.08588	1.1
199.13486	4.1
215.09241	13.8
224.90300	0.7
225.11406	3.6
235.08238	1.4
249.18626	6.0
253.09276	3.7
269.51605	0.8
277.21738	35.0
278.22046	3.1
289.12772	0.9
395.96405	0.7
433.16974	3.4
451.18182	3.9
539.59943	0.9
550.87177	1.1
711.39587	100.0
712.39929	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
61.98835	100.0
62.98528	0.2
69.12392	0.1
70.97648	0.2
70.97987	0.1
71.01402	0.2
75.53996	0.1
78.44125	0.1
80.29994	0.1
90.47749	0.1
105.89123	0.1
149.28816	0.1
209.11920	0.2
211.13445	0.2
253.09392	0.2
277.21756	0.2
398.13855	0.2
399.14215	0.1
400.14389	0.1
421.24188	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	711.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	2.1
59.01382	34.7
61.98830	18.7
69.33858	17.5
71.01390	22.1
73.02962	4.0
78.95880	3.5
80.65993	2.0
83.01398	2.6
83.05007	2.4
85.02937	5.3
87.00893	5.4
89.02449	22.6
97.02937	4.6
98.20606	3.0
101.02457	20.2
113.02448	9.7
115.67892	1.7
119.03485	4.6
125.02419	7.1
128.82002	2.1
143.03516	3.5
161.04494	5.6
171.10274	56.8
172.10649	2.7
179.05554	7.2
183.10298	2.2
207.10190	5.6
214.85478	2.0
225.11314	21.7
235.08144	9.0
249.18585	31.5
250.18849	2.1
253.09270	6.5
253.21722	71.4
254.22121	5.3
277.21680	5.7
287.61618	2.0
305.08908	2.8
373.67139	1.9
397.13513	100.0
398.13876	9.5
415.14627	27.8
461.20120	4.4
631.91620	2.2
651.36005	2.4
711.33795	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	711.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	2.4
59.01099	2.3
59.01379	32.7
61.98833	42.2
71.01387	25.3
71.62369	1.7
73.02924	4.8
83.01380	1.9
85.02929	5.4
86.71128	1.6
87.00884	5.2
89.02450	20.3
93.87560	1.6
97.02934	4.9
99.00870	3.2
101.02454	21.3
101.43945	2.0
102.05367	1.7
108.42625	1.5
110.83286	1.7
111.00796	1.6
113.02448	10.5
119.03485	7.7
125.02414	7.7
139.12015	1.9
143.03529	3.7
147.81192	1.7
161.04550	6.3
163.11230	2.1
171.10254	7.4
179.05618	3.2
179.10687	2.0
183.10181	3.3
197.11816	3.5
207.10260	11.0
225.11319	28.7
226.11670	2.6
235.08107	12.3
249.18559	23.3
250.18890	2.2
253.09262	8.0
253.21724	72.1
254.22031	5.0
287.07687	2.8
290.40622	2.0
293.21213	1.9
299.75119	2.0
305.08960	2.4
369.81860	2.0
397.13486	100.0
398.13818	6.2
415.14578	30.9
416.14832	2.7
426.55127	2.3
461.19839	2.5
597.20062	1.8
651.35760	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	711.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	37.5
61.98831	23.8
71.01385	24.0
71.60234	2.6
72.99300	3.4
73.02956	5.6
83.01373	2.1
85.02938	7.7
87.00864	5.3
89.02457	25.2
97.02938	4.2
101.02460	20.1
111.04469	2.6
113.02464	10.9
119.03523	5.0
125.02450	7.9
129.05606	2.0
135.73230	2.2
143.03529	3.0
161.04555	4.8
163.11342	1.9
171.10287	4.5
179.05540	3.7
207.10292	2.7
211.13492	2.4
213.32086	1.9
225.11313	12.5
235.08237	10.9
249.18675	14.0
253.09309	7.8
253.21725	76.2
254.22086	5.4
281.24948	2.2
293.20972	2.9
305.08795	2.6
397.13507	100.0
398.13898	8.1
415.14597	31.8
416.15015	3.1
551.22809	2.4
651.36224	2.8
711.40009	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	711.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03315	0.3
55.01881	0.6
57.03470	0.8
59.01384	100.0
60.01711	0.6
69.82745	2.2
71.01389	9.0
72.99335	0.4
73.02959	4.1
83.01412	1.5
85.02961	4.9
87.00874	0.7
89.02483	0.5
95.01432	0.6
97.04146	0.3
98.20946	0.3
99.00900	1.5
99.92625	1.1
101.02456	7.5
113.02451	3.7
115.00380	0.5
116.92870	8.8
133.01509	0.6
141.73790	0.4
146.84888	0.4
159.03030	0.8
161.04555	4.4
186.69711	0.5
199.92688	0.4
220.08081	0.4
269.10309	12.4
270.10632	0.8
311.11380	5.0
551.20581	0.6
633.92670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01383	100.0
60.01720	0.6
61.98837	9.7
71.01361	0.7
71.30531	0.9
83.05058	0.5
109.06628	0.9
111.33103	0.5
197.08327	0.5
209.11780	0.6
243.83627	0.6
293.21365	1.0
351.23267	0.7
385.24890	0.5
391.26508	4.9
392.26843	0.6
399.16003	0.5
409.27383	4.6
506.33994	0.5
544.83911	0.5
592.01080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77889	0.1
56.87032	0.1
59.01380	0.3
61.98833	100.0
62.98545	0.2
63.29760	0.1
77.56904	0.1
89.02457	0.1
93.33379	0.1
101.02498	0.1
114.81165	0.1
229.09084	0.1
249.93398	0.1
251.75252	0.1
382.06937	0.1
399.13834	0.2
415.82941	0.1
441.81522	0.1
572.88074	0.1
639.71613	0.1
648.46088	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	710.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67775	0.1
59.01390	0.3
61.98834	100.0
62.98538	0.2
81.09671	0.1
93.97237	0.1
101.02422	0.1
122.63530	0.1
161.68452	0.1
169.83340	0.1
249.18507	0.1
399.20480	0.1
482.17548	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	709.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93870	0.5
59.01378	0.5
61.98837	32.1
63.93473	0.5
63.96236	2.1
69.03454	0.7
70.28471	1.4
71.01382	8.5
73.02946	1.6
78.98596	6.8
79.95741	13.2
80.96521	79.6
81.03456	0.8
85.02927	2.6
87.00886	2.5
94.98094	18.1
96.96008	1.4
97.02952	1.6
98.20610	0.7
99.00864	0.8
101.02438	2.6
106.98127	3.5
122.97595	3.1
125.02473	2.9
127.04012	1.4
134.97620	4.7
136.99159	1.4
148.99158	5.1
152.98634	5.8
164.98633	11.8
171.10254	2.2
179.00391	0.5
206.99673	2.3
225.00743	18.1
255.23299	1.8
263.81177	0.6
404.81750	0.6
453.14334	2.2
537.27307	2.1
656.08820	0.6
709.38391	100.0
710.38715	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.7
57.03435	3.0
57.69723	0.8
58.00591	2.0
59.01385	43.2
61.98836	10.0
69.03449	1.3
71.01387	56.8
72.99316	2.6
73.02950	11.7
75.00904	1.0
78.95956	1.0
79.40272	0.9
80.90189	0.7
83.01390	6.8
85.02960	19.4
87.00896	3.1
89.02450	15.3
95.01405	4.0
96.96022	1.3
97.02959	2.8
99.00895	4.4
101.02454	30.3
107.05042	1.0
111.00865	1.6
113.02460	18.8
113.43838	0.8
115.00385	16.3
119.03523	4.5
123.08135	1.0
125.02439	2.8
129.01920	1.3
133.01428	2.2
133.06476	0.9
133.10242	1.0
134.06152	1.1
135.11809	13.5
137.98161	0.9
143.03464	3.4
143.04626	0.9
159.02982	2.0
161.04596	5.9
161.09718	1.7
169.12425	1.4
177.12909	1.0
179.10780	42.1
180.11087	2.6
189.12871	0.9
207.13893	1.4
209.11824	1.9
221.11659	1.1
387.20267	15.5
415.97061	0.8
487.32974	4.5
505.33582	4.1
506.34189	1.4
542.16833	2.8
549.30634	7.2
550.31335	1.1
593.29706	100.0
594.29962	16.7
605.22253	1.5
649.38092	41.3
650.38269	6.7
665.23688	2.0
667.39166	32.4
668.39160	3.5
709.41284	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	707.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41195	0.5
53.60281	0.5
59.01383	100.0
60.01730	0.9
61.98835	4.8
78.26452	0.4
78.95919	1.2
98.20671	1.1
150.06856	0.7
229.42072	0.7
277.21826	1.4
279.23148	1.1
293.21265	0.7
342.22168	1.2
707.37976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.2
55.23862	1.1
57.03445	3.7
58.00593	1.0
59.01093	1.8
59.01384	32.5
59.63488	1.1
61.98526	1.5
61.98833	29.5
63.20646	1.1
64.83361	1.1
68.16360	1.0
69.03462	2.5
69.42748	2.6
69.43146	8.2
70.02992	1.0
71.01393	26.6
72.99294	1.5
73.02954	15.2
79.39478	1.1
79.95757	1.5
83.01381	4.7
83.05025	2.3
85.02961	20.4
86.00115	1.2
87.00866	3.4
87.04517	13.6
88.04050	1.6
89.02465	7.7
95.01401	2.4
95.05036	1.7
96.95444	1.0
96.96000	6.5
97.02938	3.1
99.00859	3.2
99.04516	4.7
99.66522	1.1
99.92553	1.4
100.04052	2.0
101.02451	16.8
107.05048	1.1
111.00859	2.6
113.02471	9.5
115.00385	2.1
116.92862	1.8
119.03498	1.8
125.02431	2.7
131.07138	6.4
133.01401	1.3
136.55750	1.0
137.06183	1.1
143.03543	1.6
143.07161	10.1
155.07184	1.8
159.03023	1.4
160.09813	1.8
161.04587	2.8
163.21219	1.1
171.10236	2.0
179.05629	1.7
182.08302	1.3
197.11879	5.3
198.12212	1.2
211.13373	1.2
232.11746	1.3
241.21713	4.8
251.16467	1.6
286.24020	1.8
287.22186	2.1
291.19675	3.9
292.19949	2.5
309.20679	11.5
310.21082	13.6
311.22205	4.2
330.26410	2.5
331.08188	1.2
342.26587	1.9
397.13528	6.0
398.13812	3.4
403.26987	3.9
415.14624	7.3
416.14847	4.7
430.28082	4.5
431.26398	12.3
432.27133	1.9
444.29343	1.8
448.29169	9.2
449.27597	17.9
450.27930	1.8
456.29840	1.3
476.17712	1.2
490.29932	2.6
491.28613	3.8
504.31744	4.6
559.66327	1.3
574.36377	1.5
586.35339	2.1
593.29443	1.6
604.37042	100.0
605.37335	14.7
622.37952	12.7
623.38080	1.7
649.38373	2.0
657.79736	1.6
664.39362	18.0
665.39911	3.0
727.60028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06050	0.5
59.01384	26.8
61.98829	2.6
65.00324	1.1
66.31224	0.5
78.95902	1.2
82.87866	0.5
83.01402	0.6
85.39871	0.6
93.03427	0.5
98.20673	1.0
107.01393	1.1
116.92893	0.5
132.35873	0.5
145.42609	0.5
149.39795	0.5
151.00409	2.7
152.99557	1.1
178.99893	0.7
183.04521	2.2
185.06094	0.5
211.03970	2.3
213.05614	0.6
227.03514	80.9
228.03859	5.2
229.04993	1.4
229.45764	0.5
239.03323	0.7
255.02995	100.0
256.03558	13.6
257.04391	1.2
277.21750	2.8
284.03278	56.7
285.03964	16.3
286.04282	0.5
327.05191	1.0
707.30731	92.3
708.31073	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	8.1
63.96241	10.8
75.37099	1.0
78.95911	31.6
79.95742	24.9
80.96540	5.8
96.95965	1.0
96.96960	2.3
98.20625	3.8
110.98540	2.6
119.52867	1.0
122.97614	1.1
138.82967	1.0
152.99605	37.8
171.00677	3.5
183.13916	7.6
193.12402	2.2
199.13405	1.4
211.13400	100.0
212.13744	5.0
227.03209	3.6
253.21768	23.4
254.22035	1.7
255.23230	2.0
277.21725	20.2
278.22125	12.2
279.23157	10.2
347.12912	1.4
379.15363	1.6
421.16254	1.4
439.17291	6.8
440.04095	1.3
471.20084	73.4
472.20413	5.4
483.27365	1.4
532.87891	1.2
557.21484	1.3
675.39502	2.1
707.41565	42.9
708.42218	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	706.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03996	0.4
56.37613	0.4
64.33705	0.4
71.59946	0.6
76.51053	0.4
79.14050	0.3
81.95381	0.4
93.03467	0.8
96.96003	0.6
116.05061	11.4
121.58320	0.4
123.04485	0.5
133.01518	0.4
133.02975	0.7
163.00349	2.3
167.05087	0.5
168.04448	0.7
176.01271	0.6
177.01964	0.5
195.04578	0.6
197.06123	2.1
199.03987	4.7
201.05542	0.7
204.00600	0.7
211.04010	0.8
213.05710	0.6
223.04073	0.4
224.04791	0.8
225.05585	2.9
227.03477	6.6
232.80431	0.4
239.03499	14.3
240.04088	1.7
241.05077	4.3
242.05466	0.5
248.07198	0.8
250.04910	0.4
251.05870	0.6
253.04955	1.2
255.02957	1.3
264.06693	0.8
267.02948	5.6
268.03674	2.7
269.04565	11.5
270.04865	0.7
285.03882	2.1
295.02521	1.1
296.03259	4.4
297.04031	23.9
298.04364	2.5
298.07605	0.4
328.96628	0.4
340.09821	2.3
356.05087	0.3
356.09253	9.3
357.09769	1.4
366.07718	2.2
384.08771	5.7
385.09409	1.5
412.08310	1.6
413.09027	23.6
414.09753	16.8
415.10071	1.5
417.08157	0.5
443.09750	1.2
559.14899	1.0
560.15601	100.0
561.15967	16.9
706.21045	2.3
707.22217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76048	1.0
59.01385	46.0
60.47865	1.1
61.98834	6.3
71.01393	3.3
72.81449	1.0
78.95908	2.4
85.02924	1.4
89.02467	1.6
96.18640	1.2
98.20634	3.3
119.82188	1.0
138.06883	3.0
151.07700	1.4
152.08453	2.2
152.90054	1.1
152.99535	1.7
153.09236	8.1
161.04579	1.1
205.12346	3.7
209.11873	2.1
223.13394	2.0
247.35384	1.1
249.18575	1.0
277.21738	100.0
278.22128	8.9
279.16013	1.3
307.19489	1.0
367.17560	1.7
441.45398	1.0
486.64224	1.0
539.92950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
61.98839	1.5
69.29821	6.5
71.01395	1.8
85.03009	0.8
93.03455	1.3
96.96005	4.4
101.02439	0.7
115.00398	0.9
116.05062	24.1
116.92861	0.9
123.04533	2.6
132.45970	0.7
133.01442	1.2
133.02983	1.4
145.02995	0.7
146.40097	0.6
163.00383	2.4
168.04538	3.9
168.61417	0.7
175.00359	1.6
185.06097	0.7
210.05814	0.8
211.04028	2.3
212.04732	1.0
213.05592	1.3
223.04106	0.8
224.04726	1.1
225.05597	3.1
227.03482	1.4
228.20680	0.7
230.14508	0.7
234.05670	1.0
239.03500	7.6
240.04393	3.3
241.05023	3.7
251.03548	0.7
253.04906	1.1
255.02994	1.7
267.02988	20.5
268.03696	5.1
269.04489	7.2
278.04639	2.1
280.06210	0.8
285.04034	18.8
286.04242	1.1
291.05432	0.9
295.02576	1.9
296.03287	8.3
297.04028	18.8
298.04355	0.9
309.20551	1.8
318.03830	0.7
327.31671	0.7
356.09131	4.2
384.08762	8.1
385.09317	2.0
412.08249	50.3
413.08810	14.1
414.09805	23.9
415.10172	2.6
431.09915	0.9
443.10403	0.7
559.14764	12.3
560.15601	100.0
561.07813	1.1
561.16040	16.7
706.21387	32.6
707.21747	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	704.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03441	1.2
58.00594	2.5
59.01382	37.8
61.98835	4.5
71.01385	32.6
71.60731	1.1
72.01738	0.8
72.95959	0.8
72.99309	3.3
73.02939	2.2
76.89147	0.8
78.95891	1.4
82.06625	8.2
83.01374	1.2
85.02957	4.9
87.00880	1.5
87.04515	0.9
89.02449	29.1
95.01381	1.4
96.96027	11.9
96.96970	1.0
97.02964	0.9
99.00893	1.0
100.07671	2.2
101.02450	17.8
105.07193	0.9
113.02458	9.7
113.06042	1.2
115.00384	14.3
118.42509	0.7
119.03507	12.4
123.08182	5.4
128.03435	1.2
133.01407	3.7
134.05742	0.8
137.09740	1.0
143.03525	1.6
143.04591	1.0
146.92535	0.8
149.04558	1.2
155.10748	3.7
159.04501	1.0
160.05278	2.3
161.04594	1.7
161.05936	0.8
163.13330	0.8
165.38777	0.8
167.07146	2.0
167.14420	6.6
171.10258	2.0
175.07629	1.1
179.05598	3.7
196.13419	1.7
199.09731	3.3
211.13388	7.5
214.14490	1.3
225.11314	0.9
229.14471	13.2
262.12915	1.6
283.11768	1.4
284.12442	1.1
299.22028	1.1
301.12149	1.1
306.18069	1.0
329.13876	3.2
330.14240	2.8
376.19830	13.0
588.33875	100.0
589.26031	1.4
589.34442	15.0
619.24359	1.1
660.27753	2.0
661.31689	2.4
704.31488	7.6
705.34821	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.9
61.98832	5.8
63.96243	2.8
71.01386	13.5
71.30805	3.4
73.02963	2.7
78.98593	6.4
79.95741	16.7
80.96518	91.4
85.02947	4.0
87.00878	3.7
91.51414	2.1
94.98085	16.2
95.95229	2.6
96.96014	7.9
97.06596	1.9
101.02448	4.2
106.98076	3.6
122.97563	3.7
125.02460	4.0
127.03980	2.3
134.97580	6.1
148.99092	8.8
152.98601	5.8
164.98680	13.6
206.99628	2.9
213.78313	1.8
225.00735	21.2
225.31543	1.7
269.64618	1.9
330.62457	2.1
346.99030	2.2
363.10907	1.9
510.32739	1.8
703.30048	100.0
704.30524	18.2
730.14246	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94074	0.1
56.95874	0.1
59.01379	3.2
60.01713	0.2
60.49362	0.1
61.98832	100.0
62.98534	0.2
74.51645	0.1
85.85776	0.1
98.20634	0.4
203.86383	0.1
212.34152	0.1
230.34126	0.1
251.78065	0.1
325.40906	0.1
441.12827	0.1
482.16064	0.1
483.15408	0.4
484.15479	0.6
497.16644	0.1
498.17337	0.3
500.18619	0.2
542.16797	0.2
543.17456	0.2
556.19012	0.2
557.18970	0.6
558.19025	1.6
574.15997	0.2
575.15790	0.4
589.17773	0.2
643.22864	0.2
644.22845	1.0
703.24982	0.1
704.24481	2.8
705.22827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04728	1.2
56.82829	1.6
59.01094	2.8
59.01382	41.6
61.98830	2.1
71.01366	4.6
72.72041	1.3
73.02946	2.2
79.95734	2.7
80.96513	1.6
81.03433	1.3
83.05046	1.6
83.24458	1.1
85.02924	1.5
94.03008	3.9
96.96016	42.5
98.02505	3.8
98.20718	2.5
98.95602	2.2
99.00878	1.5
101.02438	3.7
103.00386	4.1
106.06641	3.5
108.04543	1.5
110.02487	14.9
111.04519	18.8
113.02460	2.9
115.00366	1.4
116.92884	1.4
120.08184	19.3
122.06115	5.9
132.04546	2.4
134.06105	10.5
136.04044	4.9
137.04807	2.5
138.05594	5.3
143.05698	1.5
147.05644	4.2
148.07619	1.8
150.05627	3.6
152.03535	5.5
154.05103	3.8
161.03554	1.4
164.98607	2.4
175.05136	3.3
178.25212	1.4
186.12836	1.4
201.10335	18.0
213.10291	9.6
214.12500	1.8
226.07535	1.4
227.11801	1.7
229.09821	24.9
229.13345	8.9
230.10138	2.9
239.11887	4.4
241.09853	4.4
253.13623	2.6
255.11395	4.2
255.14951	2.3
257.12946	8.3
265.13351	1.9
269.12836	2.2
273.12531	3.1
279.11493	10.9
279.14246	2.1
283.14474	3.3
287.10367	3.6
301.11948	64.3
302.12225	3.9
319.12982	69.2
320.13602	6.3
339.13446	8.7
371.16275	1.5
537.24689	2.2
537.32513	1.9
557.27832	1.7
579.33557	5.5
581.23767	11.0
582.23798	1.7
597.27472	3.8
599.25201	10.7
600.25421	2.8
617.27740	6.0
623.25757	2.0
641.26294	19.4
642.26813	3.0
659.27527	100.0
660.27521	16.5
703.28296	23.6
704.28802	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	703.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	47.3
59.94882	2.4
61.35175	2.3
61.98846	5.8
63.48067	2.4
65.98545	2.2
66.05565	2.1
71.01385	11.0
71.60114	3.1
73.02953	2.5
78.25143	2.2
79.95753	3.7
83.05043	2.2
85.02937	3.0
94.02997	5.5
96.96013	55.8
98.02465	5.8
98.95626	3.1
101.02437	6.0
106.06638	4.8
108.04562	3.4
110.02477	17.9
111.04520	23.8
115.00340	4.8
116.92922	2.6
119.13213	2.2
120.08193	23.6
122.06130	4.0
125.75520	2.5
132.04459	3.1
133.01440	5.1
134.06099	9.9
135.04539	6.2
136.04034	5.1
138.05600	7.1
147.05621	3.8
150.05641	5.8
152.03540	5.1
154.05055	3.2
174.09213	3.2
175.05130	2.8
179.03499	4.3
201.10333	23.7
211.08607	3.0
213.10368	12.5
217.23314	2.2
227.11880	3.4
229.09918	23.4
229.13458	9.7
239.11888	4.5
240.44006	2.6
255.11456	3.7
257.12933	8.7
279.11377	8.6
283.14725	2.7
285.04016	4.1
287.10312	4.1
301.11963	76.6
319.13000	95.1
320.13147	4.4
339.13458	8.1
579.33966	5.3
581.24072	11.5
597.27856	4.3
599.25098	15.5
617.28180	13.1
635.01422	3.0
641.26233	19.5
659.27563	100.0
660.27771	21.7
703.28088	22.3
704.28101	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	702.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23214	0.2
59.01379	0.3
61.98833	100.0
62.98532	0.2
70.03082	0.5
70.03492	0.4
78.95904	0.4
88.00435	0.2
97.31726	0.2
125.06097	0.5
126.06434	0.2
143.07155	0.6
144.07495	0.4
152.99617	0.3
176.00635	0.2
193.51469	0.2
277.21878	0.5
278.22174	0.7
279.22452	0.5
280.22647	0.3
552.45374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
59.02893	0.1
61.98832	100.0
62.09728	0.1
69.64120	0.6
69.64537	0.3
78.95921	0.4
96.67901	0.2
107.53363	0.2
130.76074	0.1
140.92886	0.2
152.99533	0.2
171.10301	1.5
172.10568	0.8
173.10811	0.3
202.38864	0.2
249.18591	0.5
250.18950	0.4
251.19180	0.2
322.88129	0.2
534.16864	0.2
537.79602	0.2
560.85931	0.2
702.41003	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04346	2.1
54.57985	1.7
57.97577	2.0
59.01382	100.0
61.98838	37.7
69.37843	13.9
69.38251	5.5
78.95927	3.9
91.12566	2.2
97.81931	2.2
98.20621	5.2
116.54961	2.5
122.49799	2.2
125.06068	4.2
126.06441	2.3
132.88033	2.3
143.07133	12.2
144.07413	2.5
152.99561	2.4
154.29044	2.7
171.10252	8.2
182.67793	2.2
246.94891	2.5
251.20094	6.0
253.09415	3.1
255.23318	3.1
277.21829	12.6
278.22003	9.5
284.25949	2.6
410.52179	2.4
438.13165	6.5
481.15182	39.3
482.15494	8.1
495.16635	10.4
496.17090	3.6
497.18262	8.3
514.14624	3.3
540.16620	9.0
555.18915	80.7
556.19421	13.1
572.15503	19.1
573.15796	5.8
586.17224	4.3
641.22620	33.9
642.22821	8.2
658.19592	3.7
701.24677	74.6
702.25018	12.9
730.37152	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	701.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45805	0.7
59.01383	50.5
61.98819	1.7
69.86463	1.2
69.86874	2.1
70.87743	0.7
71.01381	2.4
75.33317	0.6
79.95735	3.3
80.05069	2.0
80.33376	0.6
80.96516	1.5
83.01401	0.8
85.02934	1.3
89.02465	0.7
94.06625	0.9
95.95293	0.6
96.77435	0.6
96.96015	29.2
101.02434	1.9
103.00355	1.8
106.06622	9.8
107.03761	1.7
108.04562	4.4
108.08183	1.2
115.00365	1.4
120.04568	3.9
120.08165	2.0
121.05342	3.3
122.06129	27.2
132.00459	0.6
132.04558	5.5
132.08180	0.9
133.01402	1.9
134.06123	39.3
135.06448	1.9
136.07687	7.8
146.06091	2.9
148.07669	2.8
152.07147	6.7
153.04222	0.6
159.05769	0.7
160.06389	4.9
160.07686	2.1
162.05614	1.3
162.09258	6.8
164.98608	1.4
172.07677	0.9
175.97293	0.7
180.06689	14.8
180.70395	0.6
188.07152	1.0
194.08157	1.9
198.12897	1.7
206.08118	0.9
211.08759	2.8
213.10353	26.2
214.10555	1.4
214.12373	0.9
222.98940	0.6
223.08789	1.2
224.09514	1.1
224.85516	0.6
225.10307	6.0
226.07384	1.0
226.11040	3.2
227.11821	2.1
236.09572	0.7
237.10324	3.5
238.11032	2.0
239.08278	3.8
239.11877	9.5
240.12352	1.1
241.00218	1.3
241.09868	1.2
241.13461	18.7
242.13765	1.3
249.10144	0.7
251.08260	3.0
251.11932	7.1
252.09129	1.6
252.12552	2.9
253.09784	6.4
253.13315	3.0
263.08191	1.3
263.11844	1.1
264.08914	0.9
265.09860	3.4
265.13501	1.7
266.10544	2.5
267.11664	5.2
267.14996	8.6
268.12173	4.6
268.14822	0.9
269.13010	2.9
277.09610	0.9
278.10583	2.6
279.11365	16.4
280.12048	6.6
281.12915	5.0
282.13058	0.8
283.14529	0.9
285.12445	56.8
286.12769	5.4
293.12933	1.6
294.13651	1.7
295.10919	1.5
295.14301	0.8
311.10556	1.2
311.13907	1.2
312.11224	3.1
313.11813	2.8
316.14548	2.2
325.11969	0.9
327.31085	0.7
328.14313	1.0
339.13477	7.5
340.13983	1.0
344.17816	1.3
357.14532	0.9
358.15646	2.2
372.17157	2.7
374.18790	1.9
386.14835	2.2
386.19086	1.6
398.18704	2.0
400.16501	5.7
404.19995	1.1
415.19156	5.2
416.19443	2.1
416.84818	0.7
430.21439	1.9
432.19339	4.9
442.17764	1.3
444.15805	1.0
450.20596	0.9
459.18045	6.4
460.18832	9.6
461.19012	1.5
469.14868	1.9
474.20377	8.2
475.20724	2.1
492.21255	2.4
493.21768	0.9
506.23285	1.0
519.20062	11.5
520.20862	26.8
521.26794	5.4
522.26422	0.7
534.22437	85.4
535.22742	13.0
535.30359	1.1
555.24432	1.0
565.24548	20.6
566.24890	4.0
577.32025	3.2
578.32178	1.0
581.27582	4.0
583.25720	1.0
597.26959	4.3
598.27484	0.8
607.25470	0.9
615.26807	9.6
616.27484	1.6
625.26685	53.5
626.27136	9.5
657.29169	100.0
658.29486	21.1
683.26917	2.0
701.26868	15.2
702.27332	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	701.247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33763	0.4
57.97565	2.3
59.01383	100.0
59.77831	0.5
61.98837	1.6
78.95889	0.6
105.04324	0.5
188.16100	0.6
208.09500	0.5
326.54623	0.5
354.32407	0.5
437.12750	0.7
438.13373	3.7
439.14532	0.6
451.14572	0.6
452.14926	1.9
453.15524	0.7
455.09888	0.7
466.12500	0.8
467.13422	0.7
470.12311	0.6
480.14340	1.3
481.15207	32.7
482.15588	7.8
495.16766	14.6
496.17065	3.2
497.18311	6.7
498.18826	1.1
514.15143	2.9
515.15308	0.7
523.16223	0.8
525.14655	0.8
528.16663	0.6
539.15802	2.1
540.16345	9.2
541.17078	1.6
550.97925	0.7
553.17700	1.0
554.17987	2.5
555.18890	66.6
556.19098	15.8
567.19220	0.7
572.15540	17.3
573.15515	3.6
586.17096	7.3
587.17383	1.1
609.19513	1.1
627.21100	1.8
641.22571	28.6
642.22833	8.9
701.24695	65.0
702.24994	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40710	0.4
59.01384	21.7
60.99336	0.5
61.98842	0.5
65.30157	0.5
70.35700	1.6
71.01388	2.1
71.93063	0.5
73.02970	0.8
73.11221	0.5
77.52577	0.5
78.95937	0.6
83.05031	0.8
89.02436	1.5
95.05021	1.6
97.06592	4.7
99.08160	1.8
101.02446	2.1
113.02419	0.9
125.06091	41.8
126.06416	0.9
128.05415	0.6
143.07143	87.1
144.07492	2.3
152.99500	0.6
169.69177	0.5
233.22754	0.7
235.08282	2.7
253.09283	10.5
277.21722	100.0
278.22067	9.0
361.14847	0.9
513.30664	0.7
549.11902	0.5
669.69855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61506	0.4
58.51136	0.5
59.01384	4.6
60.01737	0.6
61.01807	0.7
61.98833	100.0
63.14157	0.5
69.54598	3.2
109.59936	0.4
171.10289	0.9
199.13490	1.0
222.47925	0.5
253.09312	0.5
309.20844	0.5
317.98425	0.4
395.03345	0.5
405.05045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44256	3.9
59.01374	8.3
71.01390	27.4
74.02481	8.2
87.05626	4.1
89.02444	8.6
98.19853	9.4
99.05611	6.9
115.00375	36.6
128.03563	28.2
133.01445	100.0
133.02930	7.4
134.03732	7.5
135.04491	16.7
135.05463	4.7
143.04626	35.3
149.02441	8.6
150.03183	14.9
151.03569	4.8
160.00745	12.5
163.04042	6.1
165.05527	15.8
166.05902	7.1
167.04539	3.6
177.01952	5.1
179.03444	13.1
193.05048	16.4
195.06631	6.0
198.20290	3.3
202.85843	3.8
209.64410	3.6
210.08853	7.3
254.07758	12.6
259.60175	4.1
272.08990	8.5
288.06537	4.1
295.04498	4.4
306.07663	88.2
307.07730	4.5
328.12656	6.0
404.14755	10.5
537.20142	5.5
538.20129	14.2
630.65198	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	698.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.1
61.98834	100.0
71.09025	0.6
78.95929	1.0
188.04590	0.3
292.04337	0.3
302.33011	0.4
382.08987	0.3
387.96625	0.3
396.45020	0.4
627.72211	0.3
647.20331	0.3
698.32269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30923	0.3
59.01384	14.7
61.98832	0.4
68.19191	0.4
69.66579	0.7
69.66997	1.9
71.01385	1.0
78.17316	0.4
84.31578	0.3
89.02448	1.1
98.20699	0.6
101.02441	1.2
113.02485	0.6
116.60329	0.3
123.99521	0.4
125.06060	0.4
125.09739	0.7
127.11293	1.3
127.51335	0.3
143.07126	1.5
161.04576	0.7
171.10278	100.0
172.10634	3.3
208.90086	0.4
209.11856	0.6
233.04021	0.3
235.08235	1.6
249.18611	44.4
250.18951	3.0
253.09317	5.5
253.21631	0.5
277.21768	1.1
328.69656	0.4
348.09976	0.4
402.24127	0.4
407.19144	3.0
485.27609	0.6
637.28314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98565	6.9
53.44266	6.6
59.01395	29.2
69.03467	5.5
70.82022	9.0
70.82373	12.6
71.01385	16.9
83.01408	15.5
85.02930	7.9
90.72266	5.5
99.00903	8.7
101.02418	8.0
107.52621	5.9
111.00871	14.8
113.02489	5.4
116.05081	67.0
116.73626	4.8
129.01938	12.2
141.01924	13.7
142.06618	9.3
158.06122	17.0
159.02966	9.1
172.07646	6.3
187.07713	6.4
188.07172	44.5
204.06656	13.8
230.08139	10.4
260.09244	7.6
270.07687	8.4
275.09317	11.4
276.09476	11.7
288.08835	100.0
306.09891	19.0
321.93445	5.5
335.65768	6.7
348.10895	58.7
505.07620	5.9
542.98279	6.4
557.25507	6.8
663.21985	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	697.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.5
57.90715	0.8
59.01143	0.7
59.01386	7.2
61.98834	5.6
71.01385	5.6
73.02944	1.9
75.00868	1.6
83.01373	1.3
83.04998	0.9
85.02971	1.5
87.00873	1.0
88.98846	0.9
89.02433	3.3
96.96021	2.3
97.06599	1.2
99.00888	0.9
101.02432	3.7
113.02467	2.1
113.80013	0.8
119.03506	1.4
123.08108	1.0
125.09721	2.2
137.03252	0.8
139.11267	2.4
141.12878	1.9
161.04535	0.8
167.10765	3.3
171.10231	3.0
181.08662	2.2
182.09044	1.3
185.11848	100.0
186.12157	4.7
201.11263	1.3
209.11853	4.7
229.10800	2.2
249.18616	30.2
250.18924	2.7
251.20081	3.2
253.09326	5.4
265.14777	3.7
272.32431	0.9
277.21719	3.4
278.22025	2.5
279.22336	1.8
421.21304	1.2
447.18710	1.8
465.19568	2.9
697.38037	83.2
698.38458	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	695.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.4
60.12766	1.1
61.98838	6.2
68.27856	1.1
71.01382	4.4
71.60647	1.6
78.95909	6.0
81.43601	1.3
83.01391	2.9
83.05027	12.3
85.02961	2.0
87.00868	1.5
89.02438	4.2
92.12762	1.2
96.96962	1.1
101.02437	5.5
109.06580	2.1
113.02414	1.7
123.78640	1.3
135.08154	3.3
137.09706	1.1
152.99567	4.3
161.04564	1.9
165.12834	2.6
166.31290	1.0
181.08708	59.5
182.08974	3.0
183.13913	42.1
184.14241	3.0
198.91196	1.1
199.09796	5.5
209.11823	4.1
227.12878	3.9
229.53325	1.1
235.08157	5.1
249.18587	15.1
250.18907	1.1
253.09276	12.0
275.19974	1.3
277.21725	100.0
278.22012	6.8
279.23233	4.0
279.29593	1.1
344.51257	1.2
377.41171	1.1
415.22498	2.0
463.22006	2.6
695.39911	22.0
696.40540	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	697.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01719	0.8
61.98837	0.7
65.21661	0.2
66.70354	0.2
114.54735	0.2
121.02959	2.2
134.52727	0.2
167.33693	0.2
191.03572	0.8
196.09430	0.2
197.11920	0.2
209.04550	1.7
260.13190	0.2
298.07352	0.2
307.30185	0.2
593.12939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10914	0.2
63.66208	0.2
69.86015	0.8
73.02947	9.6
79.65306	0.2
80.33233	0.2
92.50711	0.2
96.96049	0.3
99.00873	1.3
99.10149	0.2
99.92584	12.1
100.92595	0.5
112.93707	0.4
114.93404	0.4
115.00363	0.3
116.92866	100.0
117.01941	18.2
117.92875	5.4
124.60744	0.2
133.01445	0.3
165.00175	0.4
175.02544	0.3
206.39223	0.2
213.05589	0.2
222.33093	0.2
225.11412	0.2
255.02965	1.5
283.02463	3.5
284.02985	0.2
285.04050	4.9
285.07040	0.3
286.04337	0.3
430.08984	0.8
431.09833	1.9
438.99045	0.2
577.15631	5.3
577.24347	0.4
578.16107	0.5
695.50940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93154	0.3
59.01384	100.0
59.91969	0.2
60.01719	1.0
61.98837	15.3
69.90131	1.5
70.51588	0.3
78.95909	12.2
80.96535	0.9
85.05974	0.3
94.98126	0.4
116.92874	0.7
149.00085	0.6
152.79123	0.3
152.99596	1.2
168.41298	0.2
196.26248	0.3
205.15941	1.4
255.23286	0.3
277.21680	0.4
279.23221	1.6
284.05655	0.3
285.12567	0.4
415.22302	0.5
447.13361	0.5
654.29187	0.3
695.31110	43.4
696.31427	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.9
59.01383	100.0
61.98836	12.6
69.73238	9.0
78.95910	14.1
80.79021	1.7
83.05025	3.0
96.96028	1.9
98.19925	2.0
99.92605	2.7
106.73928	1.9
115.92057	1.8
116.92866	3.8
128.80888	1.8
135.08194	2.6
150.06888	3.3
152.99608	6.3
171.08099	1.6
179.89291	2.0
180.89989	4.1
188.99989	1.7
204.03058	1.7
277.21765	4.4
307.20810	2.8
325.21738	26.1
326.22128	2.7
342.22107	4.2
343.22736	27.4
344.23166	2.3
593.27380	4.5
693.20105	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	693.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
59.01384	100.0
60.01719	0.9
61.98827	4.2
69.40755	2.0
69.41177	2.0
78.95913	1.4
96.96010	0.7
108.46728	0.5
109.06622	0.6
129.80159	0.5
135.08124	0.6
143.49406	0.6
147.76653	0.5
152.99622	1.3
157.87910	0.4
171.10338	0.5
207.10210	1.1
211.13513	1.0
225.11386	1.3
249.18652	0.9
277.21643	2.5
279.23291	0.5
291.19864	0.7
309.20895	1.6
314.91122	0.5
325.21622	1.0
327.21936	0.6
343.22977	0.6
391.26593	1.8
409.27625	3.4
693.38916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04016	0.6
57.03450	1.1
59.01382	100.0
59.66782	0.6
60.01697	1.3
61.38110	0.6
61.98832	3.1
70.74126	1.7
78.95951	0.7
83.05038	2.1
84.41991	0.6
92.49089	0.6
95.01320	0.6
100.73041	0.6
109.06613	0.8
132.52219	0.6
137.09819	0.6
152.99609	0.7
252.28778	0.6
278.95892	0.6
365.24799	5.1
382.25391	1.9
383.25952	4.4
384.26337	0.9
391.26498	5.2
403.17810	1.4
405.51889	0.6
409.27499	4.5
457.50119	0.6
589.91937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.0
61.98829	0.5
64.59335	0.5
66.37968	0.6
66.82867	0.5
71.01357	1.0
71.60110	0.6
73.76763	0.5
85.02922	0.6
93.03462	0.7
96.96025	1.5
99.69323	0.5
100.33868	0.6
105.98528	0.5
115.00406	0.9
116.05077	8.4
118.37084	0.5
123.04565	0.7
129.07042	0.5
133.01448	0.7
133.02925	0.6
135.92418	0.5
161.02422	0.9
163.00290	2.3
171.04495	0.5
176.01207	0.7
179.03423	0.5
183.04532	0.5
197.06050	1.5
199.04037	3.8
224.04659	0.7
225.05539	2.1
227.03532	6.0
236.07184	0.5
239.03491	14.5
240.03940	1.6
241.05049	2.6
248.07066	0.5
253.05066	1.9
255.03053	1.9
264.06653	0.9
267.03003	6.1
268.03748	3.6
269.04526	9.5
285.04016	1.7
295.02493	1.6
296.03232	6.7
297.04007	16.2
298.04361	1.0
340.09863	2.6
356.09274	9.8
357.09631	1.5
366.07727	2.6
384.08795	4.7
385.09326	1.6
386.09525	0.5
412.08246	2.7
413.09030	29.6
414.09671	6.3
429.08395	1.3
531.22699	0.8
546.14056	100.0
547.14380	15.3
559.14679	1.1
560.15350	0.5
692.20111	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63997	1.1
59.01382	6.8
61.98828	4.7
71.49342	1.4
72.24769	1.0
78.95908	82.0
84.66937	1.0
96.96979	8.6
116.97256	17.8
134.10881	1.0
134.98370	1.2
141.01691	5.8
150.97983	1.3
152.99594	58.2
171.00739	1.4
180.37413	1.1
198.97490	1.9
259.20523	1.2
269.12305	1.0
277.21725	100.0
278.22076	7.7
280.97809	4.6
362.97891	1.6
411.25562	1.1
413.20996	43.0
414.21332	2.5
431.22076	16.9
432.22495	1.7
434.06915	1.1
494.96219	1.2
568.48572	1.4
618.06525	1.1
691.43616	12.2
692.43903	3.0
717.81763	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.8
58.02974	1.6
59.01383	32.4
67.03006	1.0
71.01384	12.4
72.99297	1.0
73.02953	6.8
74.02475	1.7
78.95895	4.5
79.95744	2.7
82.02981	1.2
83.01392	1.9
84.04553	2.0
85.02955	3.0
87.00890	1.1
89.02451	3.1
96.96016	77.2
96.96916	7.0
97.95959	0.8
98.19736	1.1
98.95580	2.1
99.00899	0.7
101.02435	6.0
103.00402	1.0
107.02573	0.8
109.04089	6.0
113.02463	3.6
115.00375	0.9
115.08498	0.7
116.25434	0.6
119.03567	1.0
124.01714	0.6
125.03601	1.9
127.05145	31.8
128.03543	16.6
145.06204	25.9
159.14719	0.6
174.27478	0.7
186.23410	0.7
203.37149	0.7
249.19734	1.5
268.03775	3.8
283.06107	7.0
295.22607	0.8
317.26031	0.9
332.23608	0.8
361.28604	0.9
404.90027	0.7
457.28052	0.8
462.41864	0.6
466.24347	0.7
474.17102	0.7
492.16367	0.8
529.26617	3.1
567.33051	1.1
603.29083	5.0
627.34845	2.2
645.36102	100.0
646.36346	17.9
689.28015	3.5
689.40558	4.3
690.28595	0.9
690.39532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48633	0.5
59.01378	3.1
61.69859	0.6
61.98831	11.0
70.05108	2.6
73.02946	1.3
73.23835	0.5
78.95906	1.0
83.11875	0.5
92.54530	0.5
92.84308	0.5
98.20578	0.6
208.82527	0.5
256.95422	0.5
400.11041	0.6
438.13235	0.8
451.14529	1.3
452.14758	2.6
466.16476	0.8
481.15033	6.8
482.15390	1.6
484.14847	0.8
493.15475	1.3
494.15475	0.8
495.16779	12.4
496.17181	2.5
498.16806	0.8
508.17603	0.9
509.18457	0.8
512.12775	1.1
521.14636	0.9
535.16138	1.7
536.16797	2.5
539.15839	0.9
540.16583	2.6
551.19409	32.3
552.19690	8.6
553.19666	0.6
554.19611	3.7
555.19360	1.1
572.15735	2.5
586.17102	3.3
587.17365	0.7
595.18567	3.8
596.19580	0.8
598.18182	0.7
627.20984	100.0
628.21246	24.4
629.20868	0.7
630.21234	7.4
690.23370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64336	1.6
59.01377	3.2
61.98831	2.7
63.85907	1.7
69.03458	1.7
78.95911	33.5
96.96958	3.3
98.20730	3.3
152.99597	40.5
167.10777	3.4
171.00613	4.1
179.14403	4.0
189.03392	1.9
195.13867	8.4
205.12250	8.9
223.13402	69.2
224.13730	3.2
227.03241	4.2
229.13745	2.0
233.27219	1.7
253.21719	28.2
254.21858	2.4
255.23314	9.1
262.32883	1.8
277.21313	1.8
279.23523	2.0
280.23697	3.9
281.24805	8.3
359.12732	5.9
433.16583	2.5
451.17395	100.0
452.17773	9.4
473.50464	1.8
687.38788	27.6
687.49603	2.7
688.39124	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
66.86316	0.4
69.76301	1.4
69.76714	1.3
71.01388	13.1
74.57015	0.4
75.03641	0.4
76.87761	0.5
89.03959	0.7
98.20620	0.6
115.00375	8.0
117.03467	5.8
119.05099	0.6
133.01459	5.6
133.03000	0.6
134.03752	52.0
135.04091	1.8
137.02452	1.9
149.06102	6.1
163.04013	1.1
174.03192	0.7
175.03986	1.1
178.02744	5.4
193.05067	100.0
194.05345	4.0
309.06161	4.1
347.12878	0.7
365.13962	1.9
391.11993	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97562	2.4
58.02977	2.8
58.56326	1.2
59.01381	1.9
61.98832	8.9
71.01395	6.0
73.04079	13.3
74.02490	2.0
76.08321	1.4
82.02984	4.7
83.02509	1.7
85.02952	1.6
85.04037	1.3
90.00732	1.2
95.02501	3.4
96.96004	4.4
97.04070	1.7
98.02492	4.5
98.20615	4.4
98.25381	1.2
99.02014	2.1
104.27998	1.4
109.04073	2.4
110.02484	1.3
112.05152	3.7
113.03535	1.9
115.00375	9.0
115.05155	8.1
115.08771	2.9
123.05630	4.6
124.04069	2.3
125.03545	4.8
125.07227	1.7
126.01952	5.1
126.05578	4.0
126.48266	1.1
127.05148	16.2
128.01799	1.4
129.06773	1.5
130.06239	6.1
130.08745	66.7
131.09126	1.5
133.01450	13.3
133.27089	1.2
134.01747	1.9
135.04541	2.8
137.07211	5.1
139.05147	1.6
139.08783	1.3
141.06691	2.9
142.06250	1.9
144.07791	2.7
144.21550	1.3
145.06174	1.4
154.06229	1.4
155.04610	1.8
155.08199	1.5
156.56587	1.3
159.04637	1.5
160.05078	1.3
161.02388	2.0
166.06235	15.0
167.04619	3.3
168.09082	1.4
169.07295	2.9
169.13469	1.4
172.10864	1.4
172.50259	1.2
174.03027	1.2
175.04045	3.0
179.03496	5.2
180.07797	13.5
180.10310	1.6
183.08954	6.1
184.07269	10.3
185.16597	21.1
186.08708	1.2
187.08368	1.9
188.27226	1.1
197.12984	1.9
201.09923	8.8
203.03540	1.9
211.08330	3.8
211.14445	2.0
223.08481	1.6
225.09837	2.2
226.08357	3.8
227.03650	2.3
229.09297	3.4
229.15703	5.6
229.54860	1.7
239.11479	1.9
242.18755	1.5
243.10861	2.3
255.02940	2.3
258.12115	3.7
275.09335	1.4
282.12210	7.1
282.15149	1.2
284.03116	1.8
284.23428	19.8
285.04074	6.3
285.23709	1.9
300.13165	25.5
300.16577	1.5
301.13242	1.8
310.21259	1.7
328.22488	4.0
341.25623	9.5
347.12793	1.9
365.13882	1.7
366.14548	2.2
385.24521	7.7
392.12146	1.9
399.19873	1.3
436.10828	1.9
496.27640	2.5
511.25226	1.6
513.30267	3.7
556.74310	1.4
612.33765	26.7
613.34119	4.9
624.33600	4.3
642.34686	85.1
643.34979	12.5
651.74213	1.3
656.36145	14.5
657.36096	2.3
668.36481	3.8
686.37335	100.0
687.37817	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.0
61.98812	2.2
71.60298	0.7
78.95473	1.5
78.95910	24.2
89.83782	0.7
95.29650	0.6
96.92615	0.7
97.05302	0.7
110.97804	1.2
110.98534	15.0
152.99612	1.6
167.01143	13.6
185.02222	3.0
253.21735	20.7
254.22119	0.9
255.23303	5.7
272.45758	0.7
277.21719	95.3
278.22125	7.0
358.92325	0.7
401.79913	0.7
421.23865	0.8
423.25098	2.3
445.23608	100.0
446.23889	11.3
467.49023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20810	0.3
55.49925	0.4
59.01370	0.7
60.99313	16.2
71.01381	0.6
71.60262	0.5
84.35319	0.3
88.98814	100.0
89.89285	0.3
89.99157	1.2
115.00403	0.5
133.01433	0.5
134.03719	0.4
190.43483	0.4
193.05075	0.9
255.03133	0.4
265.07309	0.5
277.57791	0.4
278.01572	0.4
283.02475	1.3
284.03186	0.7
285.04169	0.5
330.44791	0.3
372.80231	0.3
447.09564	0.9
452.58578	0.4
487.50922	0.3
521.20282	0.4
593.15204	1.3
664.69897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.147
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	16.4
68.28745	0.5
69.29284	4.1
70.67846	0.4
71.01379	0.5
82.66442	0.4
88.98812	100.0
89.99139	0.6
98.19901	0.8
100.59133	0.4
116.92884	0.9
133.01408	0.6
165.00581	0.7
198.99260	0.5
255.03011	0.9
265.07336	0.8
271.02594	0.7
283.02499	1.7
285.04083	1.8
299.01892	2.1
301.03430	1.6
301.10907	0.6
430.09271	0.6
447.09247	1.0
465.78552	0.5
593.14984	7.0
594.16400	0.6
594.81195	0.4
601.48346	0.4
624.34485	0.4
682.86957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	12.7
59.01376	4.4
68.99831	1.9
69.11573	1.5
70.87406	4.1
71.01389	10.6
72.99332	1.7
83.01368	2.1
84.02171	3.4
85.02953	100.0
86.03292	1.6
89.02462	1.5
100.60107	1.6
103.00377	2.7
107.50492	1.4
111.00909	5.5
115.00365	7.9
119.05016	5.2
129.01932	6.4
132.94707	1.5
133.01431	16.3
133.02960	3.3
134.03731	6.1
135.04410	1.8
136.01640	4.2
147.02998	16.0
151.04024	7.2
163.04016	15.1
173.00928	2.9
177.01898	2.1
191.01976	65.7
192.02296	2.6
193.05055	5.8
194.05492	2.6
209.03038	13.9
357.13559	7.5
385.07819	17.3
448.89908	1.6
544.74640	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	681.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	10.0
58.35944	3.6
59.01396	6.2
63.76912	4.1
66.57171	3.6
67.48103	3.8
68.14436	5.0
69.46050	3.7
69.52589	30.1
71.01382	14.3
84.02191	4.3
85.02962	100.0
89.02476	4.1
98.85176	3.6
111.00891	5.7
115.00382	10.9
116.98883	4.0
129.01971	8.2
129.72351	3.6
133.01410	20.2
135.04526	5.8
136.01707	6.2
138.88696	3.6
147.02985	14.9
151.04021	13.9
179.03508	6.4
191.01984	67.3
193.05067	7.9
209.03033	64.1
256.44760	3.9
357.13718	18.3
385.07681	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	680.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.3
61.98833	100.0
71.21269	0.5
74.69602	0.3
87.44167	0.3
92.20766	0.3
94.30257	0.3
96.20152	0.3
96.96010	1.8
112.07349	0.3
121.24065	0.3
174.80986	0.3
191.60190	0.3
353.89951	0.4
680.33313	0.7
708.26996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92730	1.9
58.02970	4.4
59.01389	4.6
61.98816	4.4
63.96078	1.9
67.03014	2.4
69.89583	8.4
71.01370	5.9
73.04070	7.3
73.40350	1.9
75.74090	1.7
82.02981	6.8
84.04518	2.0
96.35783	1.9
96.96027	8.6
99.01988	2.2
99.05608	3.1
101.07208	2.7
108.00878	1.7
109.04081	8.8
110.02464	2.5
112.04089	2.0
115.05095	2.1
116.05038	5.0
118.06587	3.6
122.06036	1.7
123.05669	3.8
124.04047	9.3
127.04223	4.1
127.05144	68.4
128.03552	14.1
130.07887	2.7
130.08752	39.3
131.05049	2.4
133.01445	3.3
139.05132	5.3
141.06679	7.1
141.10283	2.3
145.06154	4.6
148.45335	1.8
149.07172	3.7
158.09364	2.2
166.06229	32.6
167.04649	3.7
172.04359	4.9
184.07300	15.4
185.05638	5.5
185.07314	3.2
186.05603	11.7
189.06900	7.1
190.05501	2.7
197.12941	2.0
199.09589	2.1
216.13928	7.3
240.08194	4.4
241.06535	7.4
247.07623	5.2
257.09302	2.5
258.09103	8.1
270.12381	3.8
277.15561	8.1
314.11447	2.2
318.11261	9.8
334.17734	2.9
388.18512	2.1
445.20917	24.1
446.21237	2.7
489.23529	8.0
505.17358	2.3
525.67969	2.2
576.24939	2.6
618.25952	18.1
619.26147	3.2
636.27112	64.3
637.27222	7.8
662.28522	11.3
680.29724	100.0
681.30115	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	679.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.5
58.00599	1.8
59.01388	35.4
61.98830	4.1
66.90007	0.7
69.03465	1.6
70.22652	0.9
71.01388	33.7
71.60815	1.0
72.99310	3.1
73.02950	4.9
78.95895	0.9
79.95767	1.0
81.03481	1.7
83.01400	4.0
85.02956	8.4
87.00881	8.1
89.02453	27.6
92.34527	0.7
95.01402	1.9
95.95241	6.3
96.96011	10.9
97.02951	4.7
99.00908	2.0
101.02447	27.9
102.05615	2.7
113.02456	14.3
119.03521	10.7
125.02448	11.2
127.40389	0.7
128.03526	1.8
131.03572	1.2
133.05127	0.9
143.03491	4.0
145.06198	2.1
146.04599	8.2
152.99538	1.1
161.04568	6.0
179.05637	5.8
183.10297	3.0
209.57153	0.8
211.13437	3.8
221.06691	2.1
235.08252	14.7
249.18629	4.5
253.09250	3.8
263.07785	1.7
277.21622	4.8
281.24863	100.0
282.25208	7.3
287.07764	2.2
305.08932	4.3
307.03253	0.9
323.09805	1.5
397.13516	80.1
398.14084	4.2
415.14590	32.1
416.14996	2.0
486.86731	1.1
540.43951	1.1
543.37292	0.9
679.24048	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	679.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.03439	1.2
58.00587	1.9
59.01384	35.2
61.98829	5.1
69.03457	1.4
71.01388	34.8
72.99313	3.3
73.02956	5.7
75.00880	0.8
78.95901	0.5
81.03446	1.7
83.01397	4.2
85.02956	7.8
87.00883	7.2
89.02448	28.6
91.04002	0.7
93.03477	0.5
95.01389	1.8
97.02953	6.3
99.00886	1.9
101.02451	26.8
102.02836	0.6
109.02917	0.8
111.00876	0.7
111.04513	1.0
113.02462	12.6
115.04025	0.7
118.54253	0.5
119.03509	10.9
121.02979	1.1
122.74628	0.5
125.01619	0.9
125.02457	9.5
131.03497	1.3
133.05087	1.1
139.03976	0.5
141.01898	0.6
142.08080	0.4
143.03511	5.9
149.04555	1.0
161.04584	7.6
167.03456	0.7
169.05167	0.8
179.05608	5.8
183.10266	1.7
199.06178	0.8
211.13371	0.9
217.07130	0.6
221.06624	2.0
235.08221	12.8
253.09142	2.3
263.07733	1.4
277.09354	1.0
277.21759	1.6
281.24863	100.0
282.25195	7.9
287.07745	2.5
305.08826	3.7
323.09772	2.0
379.12457	0.9
397.13522	83.1
398.13892	4.8
415.14590	31.8
416.14954	2.0
484.35175	0.6
574.04803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
59.01385	100.0
60.01717	1.0
61.98838	1.9
62.51936	0.6
66.60670	0.7
78.95901	0.8
83.05048	0.7
96.96060	0.7
109.06600	1.8
152.99605	0.8
174.68839	0.7
181.08760	0.8
209.11786	0.6
231.54945	0.7
249.18889	0.8
393.28180	0.7
483.33279	1.1
523.35406	1.5
541.36853	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	677.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	0.3
59.72404	0.1
60.14943	0.1
70.02919	0.1
70.54838	0.4
70.55191	0.2
71.01354	0.2
71.95499	0.1
80.05063	0.2
81.03463	8.4
83.05031	19.0
84.05367	0.4
100.07679	0.3
107.06161	0.3
108.04558	0.5
125.07205	1.2
126.05598	0.5
135.26047	0.2
143.08241	0.4
144.56895	0.1
173.06039	0.1
186.56918	0.2
187.50566	0.1
207.15031	1.3
223.81238	0.2
224.17690	2.7
225.16095	12.5
226.16432	0.7
242.18727	0.8
252.29517	0.2
268.16583	0.2
290.22406	0.3
291.20709	0.2
309.21652	0.7
324.26590	0.8
333.22870	0.8
339.27734	0.2
341.29205	1.0
351.24289	0.2
367.27133	0.9
407.33963	0.3
430.34213	0.2
433.31787	1.5
434.32745	0.2
450.34445	1.5
451.32892	6.0
452.33197	0.5
501.11151	0.2
550.43359	0.6
559.40186	0.4
565.44519	0.3
567.45703	0.2
593.43872	0.6
659.48773	1.5
660.48883	0.3
677.49701	100.0
678.50031	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	677.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	2.1
59.01386	11.2
61.98831	5.1
69.03425	1.3
71.01379	9.4
71.59937	1.8
72.99281	1.1
73.02939	2.9
83.01409	1.3
83.05027	1.8
85.02968	7.1
89.02471	1.4
89.91706	1.1
96.96015	3.9
97.02962	1.5
97.06605	2.8
99.00903	2.5
101.02455	2.5
113.02411	1.5
115.00402	3.6
117.76059	1.1
125.09724	1.8
133.01466	2.2
135.04579	1.5
137.09724	2.0
153.12840	1.5
163.11252	1.4
165.12856	12.0
171.10335	6.5
183.13918	2.4
191.01953	2.3
193.08467	7.9
199.13414	2.0
205.12231	1.9
205.23647	1.2
207.10023	12.7
209.03070	3.5
209.11745	1.4
211.13416	16.0
219.10045	4.1
221.11604	9.9
225.11366	2.3
229.14482	7.5
231.10066	8.7
233.11592	61.4
234.11873	3.4
243.10152	2.1
249.11172	11.3
251.12917	12.4
261.11069	14.6
295.22818	3.8
313.17896	3.9
327.21780	71.6
328.22058	4.5
331.18988	6.9
349.19962	100.0
350.20505	6.8
458.03677	1.3
475.29236	1.9
517.30188	20.6
518.30884	1.9
645.31110	4.0
677.43048	6.3
678.42627	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
57.98305	0.6
59.01384	100.0
61.66393	0.5
61.98833	17.4
63.15125	0.5
68.96752	0.6
69.85117	1.8
69.85526	1.1
73.71970	0.5
78.95927	1.5
80.96533	1.8
98.24183	0.6
109.06654	0.8
115.92068	1.1
116.92869	0.9
137.53427	0.6
139.72078	0.6
145.28876	0.5
152.99631	2.1
240.62025	0.6
241.01340	0.7
277.21848	0.9
279.23376	2.3
367.26044	0.7
483.32736	0.8
523.36011	1.6
577.27344	2.3
595.28979	3.1
613.04865	0.9
675.89001	0.6
698.92151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
56.45652	0.3
57.03441	1.2
58.00603	2.3
59.01383	36.4
60.01716	0.3
61.02916	0.3
61.98827	0.8
68.99828	0.8
69.03450	2.4
69.45111	0.3
71.01386	34.0
72.99313	2.9
73.02951	5.5
73.62734	0.3
75.00880	0.9
76.62518	0.3
78.95914	0.3
81.03453	1.6
83.01388	3.7
83.05028	0.4
85.02948	7.6
86.00125	0.4
87.00382	0.6
87.00884	7.9
87.04505	0.4
89.02448	30.5
90.02778	0.5
91.04012	0.4
93.03457	0.6
95.01382	2.3
97.02958	6.0
99.00896	1.8
101.02449	26.3
102.02802	0.9
103.03999	0.7
104.80324	0.3
107.25051	0.3
109.02993	0.4
111.00920	0.6
111.04525	1.0
113.02453	13.2
113.03245	0.7
115.03985	0.6
119.03508	9.3
121.02974	0.7
125.02452	11.6
127.03992	0.6
131.03539	1.6
133.05045	1.1
139.04030	1.1
141.01920	0.6
143.03510	6.0
144.12320	0.3
149.04536	1.1
152.99593	0.5
161.04568	6.9
163.03986	0.4
167.03506	1.1
167.44330	0.4
179.05603	6.9
185.04619	0.7
191.77733	0.3
199.06160	0.7
203.05571	0.8
217.07161	1.1
219.05231	0.6
221.06631	2.1
229.11307	0.4
235.08241	13.8
236.34309	0.3
237.31165	0.4
245.06552	0.7
250.38499	0.3
253.09299	3.4
261.22064	0.6
263.07697	1.5
271.87805	0.3
277.09250	0.9
279.23297	100.0
280.23633	9.0
287.07758	2.8
305.08813	3.3
323.09702	1.5
323.30838	0.3
379.12466	1.4
397.13504	80.2
398.13852	5.8
398.19034	0.4
415.14578	32.7
416.15012	2.0
416.20068	0.5
595.28497	0.6
700.88800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55801	0.4
55.01872	1.0
57.03445	1.4
58.00587	1.6
59.01382	38.4
61.98825	1.0
63.26085	0.4
67.98353	0.3
69.03466	2.0
69.60592	1.6
69.61001	1.0
71.01387	36.7
72.99308	2.8
73.02956	5.8
75.00870	0.9
76.14369	0.4
78.95911	0.6
80.96519	0.6
81.03470	1.8
83.01397	4.3
84.28569	0.4
85.02955	7.1
87.00881	8.2
89.02449	31.4
89.62254	0.4
90.02794	0.6
91.03999	1.0
95.01403	2.1
97.02954	5.3
99.00907	1.9
99.04527	0.6
101.02449	31.2
102.02873	0.5
103.04028	0.6
109.02931	0.4
111.00864	0.6
111.04508	0.8
113.02456	14.2
113.03246	0.8
115.04044	0.6
119.03510	10.7
121.02962	0.8
123.04517	0.4
125.02454	11.4
131.03546	2.0
133.05070	0.8
139.04030	1.2
141.01926	0.6
143.03511	5.7
144.30226	0.4
149.04489	0.9
161.04573	7.0
167.03564	0.4
169.05127	0.5
179.05617	5.9
185.04436	0.6
199.06088	0.6
203.05502	0.5
209.11833	1.3
217.07103	1.1
219.05043	0.7
221.06721	1.9
224.72096	0.4
235.08229	12.9
245.06689	0.9
249.18555	0.7
253.09311	4.0
261.22235	0.5
263.07736	1.8
277.09250	1.0
279.23297	100.0
280.23636	10.3
287.07773	3.4
293.24741	0.5
305.08762	3.7
321.24576	0.5
323.09833	1.2
361.11224	0.5
379.12750	0.5
397.13504	74.5
398.13895	6.0
415.14569	30.8
416.15042	1.9
471.84116	0.4
498.53290	0.4
577.26678	0.8
677.38367	0.8
679.74249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82609	0.3
51.31198	0.3
53.30709	0.3
55.01877	0.5
57.03438	1.1
58.00578	0.9
59.01384	24.7
60.01709	0.4
62.24625	0.4
69.03453	0.5
69.40418	3.1
71.01385	25.1
72.01687	0.4
72.99306	1.2
73.02949	10.3
76.19228	0.3
83.01394	2.5
85.02951	3.4
87.00884	1.7
89.02448	6.3
95.01386	1.0
96.95990	0.6
98.19897	0.7
99.00873	0.8
101.01782	0.5
101.02447	10.5
105.64803	0.3
113.02459	5.3
115.00372	11.4
119.03495	1.6
125.02460	0.6
129.09256	0.5
131.03484	0.6
133.01434	1.4
169.40631	0.3
179.10883	0.4
183.13875	1.4
193.08716	0.7
251.20169	1.5
277.21701	0.8
295.22787	16.3
295.78513	0.3
296.23181	1.0
301.43021	0.3
313.23853	3.7
373.75284	0.4
407.29547	0.4
457.28000	3.9
475.29175	11.9
476.29446	1.5
517.30182	100.0
518.30530	14.0
633.30750	0.5
702.68597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08824	0.4
59.01382	100.0
60.01722	0.8
61.98825	2.3
78.95917	1.5
119.44325	0.4
124.44949	0.4
131.90089	0.4
144.89764	0.4
148.46021	0.4
152.99637	1.1
277.21735	1.1
309.20923	0.6
397.13940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50170	0.6
64.63657	0.6
66.91115	0.6
70.73773	1.3
70.74106	0.7
71.01385	14.7
72.78751	0.6
74.95267	0.6
79.26276	0.6
89.03999	1.3
96.96011	1.0
115.00385	7.0
117.03480	3.8
119.05048	1.1
133.01443	5.7
134.03745	52.3
135.04060	1.5
137.02426	1.7
143.04631	0.7
149.06094	6.0
160.35432	0.7
163.04056	1.5
175.85301	0.7
178.02730	5.9
193.05057	100.0
194.05417	4.2
309.06042	3.3
348.22208	0.7
399.37854	0.6
469.18002	0.7
515.16791	0.8
525.77698	0.7
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
55.01867	1.8
57.03437	1.6
58.00602	2.5
59.01383	50.3
64.43986	0.4
69.03462	2.9
71.01387	39.4
72.01691	0.6
72.99319	3.3
73.02948	7.4
75.00861	0.9
81.03453	1.7
83.01401	4.9
85.02958	8.8
87.00880	11.2
89.02448	38.6
90.02744	0.7
91.04019	0.8
95.01411	3.6
97.02955	5.9
99.00871	2.3
101.02448	34.9
102.02822	0.5
103.03976	0.6
109.02962	1.0
111.04519	1.3
113.02457	16.5
114.02754	0.7
115.04018	1.1
119.03510	11.7
121.02955	1.0
124.01675	0.5
125.02457	14.4
127.04039	0.8
130.38826	0.4
131.03484	2.4
133.05034	1.2
135.23567	0.5
139.04024	0.9
141.01929	0.9
143.03517	7.3
144.03810	0.6
149.04536	1.3
161.04565	8.0
163.39815	0.5
167.03473	1.0
169.05042	0.7
175.98155	0.5
179.05629	9.3
185.04500	0.8
197.96193	0.5
199.06142	0.5
203.05624	0.5
217.07146	1.4
221.06636	2.8
235.08211	17.8
236.08609	0.7
245.06638	1.3
253.09265	4.5
263.07715	2.0
277.21719	100.0
278.22095	8.5
287.07715	3.9
287.27509	0.4
305.08829	3.8
323.09891	2.3
354.53671	0.5
361.11328	0.7
363.19693	0.5
379.12384	0.8
390.85867	0.5
397.13504	89.1
398.13828	6.2
415.14563	37.3
415.20404	0.6
416.14929	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	675.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.8
59.01382	100.0
61.98828	2.4
70.83678	1.5
70.84003	0.7
78.95911	2.1
83.26755	0.6
152.99638	1.5
163.58478	0.7
198.08365	0.7
277.21619	0.9
622.60321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97567	31.4
59.01381	100.0
61.98837	34.3
62.45010	10.8
69.33326	96.4
78.95905	22.5
84.52389	9.3
105.60374	11.1
114.86073	9.1
152.99513	23.1
211.07561	16.3
221.46231	10.6
277.21823	13.4
291.20013	12.2
381.13843	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03453	1.5
58.00593	2.7
59.01384	49.5
59.98476	0.2
60.01717	0.5
61.98849	0.2
65.13904	0.2
67.01900	0.3
68.99837	0.5
69.03465	2.4
71.01386	42.7
72.01709	0.6
72.99313	2.9
73.02953	7.2
75.00884	0.9
81.03457	2.1
83.00899	0.2
83.01394	4.9
83.05059	0.3
85.02956	10.2
86.00096	0.3
87.00880	11.0
87.04505	0.3
89.02450	38.4
90.02780	0.3
91.04025	0.9
93.03480	0.5
95.01392	3.1
95.05007	0.2
97.02959	7.0
99.00890	2.6
99.04533	0.6
101.02449	35.9
102.02787	0.6
103.00359	0.3
103.04043	0.5
109.02953	0.7
111.00886	0.7
111.04512	1.2
113.02457	16.9
114.02809	0.2
115.04022	0.9
119.03511	12.0
121.02953	0.6
123.00885	0.5
123.04507	0.4
124.01696	0.4
125.02457	14.2
126.02782	0.2
127.04024	0.8
127.07623	0.3
128.96986	0.2
129.01970	0.4
131.03516	2.1
133.05080	1.0
137.02423	0.3
137.65492	0.2
139.03973	1.1
141.01962	0.6
141.05608	0.2
143.03503	6.9
149.02521	0.3
149.04581	1.2
151.04004	0.3
155.03421	0.2
161.04568	8.3
165.01869	0.2
167.03519	0.8
169.05055	0.6
171.02974	0.4
179.05620	7.6
185.04532	0.9
199.06161	0.5
202.20015	0.2
203.05559	0.6
207.56511	0.2
217.07147	1.2
219.05159	0.6
221.06673	2.9
233.06699	0.2
233.22713	0.6
235.08244	16.1
236.08578	0.6
245.06659	0.9
253.09299	3.6
259.20697	0.7
263.07761	1.8
275.20175	0.5
277.09579	1.2
277.21725	100.0
278.22083	9.1
283.08209	0.2
287.07745	3.7
291.23279	0.6
305.08755	4.1
306.09174	0.3
323.09760	1.8
361.11453	0.6
379.12476	0.9
397.13510	81.5
398.13876	5.7
415.14581	35.0
416.14896	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.4
61.98834	33.9
70.24637	1.7
70.25024	2.7
71.01366	3.4
72.99313	0.9
73.02953	1.0
79.95737	6.3
80.96505	2.8
83.01364	1.1
85.02946	2.3
94.33955	0.7
95.95206	1.0
96.96016	100.0
98.95610	1.0
99.00859	0.9
101.02431	3.2
103.00381	7.5
113.02444	2.3
122.97601	0.9
128.03532	1.4
129.22041	0.7
133.67583	0.7
134.06090	0.9
145.06187	1.3
152.98677	0.9
164.98610	3.4
171.10240	1.1
175.21458	0.8
178.30519	0.9
180.98177	1.3
190.63188	0.9
199.13362	2.0
209.11848	9.7
210.12137	1.2
223.41289	0.8
227.12839	6.5
237.00873	0.8
241.00249	2.6
253.09146	0.9
487.32272	1.0
569.30048	2.0
587.31067	75.1
588.31226	9.3
629.32086	31.9
630.32471	5.8
655.30280	1.6
673.31018	49.8
674.31024	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	673.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39053	0.6
59.01383	21.3
60.01312	0.7
61.98832	9.1
69.42872	1.5
69.43281	4.2
71.01382	9.7
72.99307	1.3
73.02954	4.7
74.02470	1.3
82.02983	1.3
83.01382	1.7
84.04545	1.1
85.02943	2.6
89.02443	2.7
92.21121	0.7
96.96014	2.6
98.19840	1.3
99.39171	0.9
99.92594	0.9
101.02445	5.1
101.07218	1.1
109.04098	5.7
113.02451	2.9
115.00291	0.9
115.92094	1.5
116.92867	3.0
119.03452	1.6
125.03577	1.1
127.05142	27.3
128.03545	16.0
145.06198	21.6
179.72177	0.7
209.11862	1.3
249.19762	1.7
251.22466	0.9
267.20828	1.0
320.26648	0.7
379.38025	0.8
551.33484	0.9
569.34644	1.6
587.35504	2.3
611.35748	2.1
612.34662	0.7
629.36572	100.0
630.36963	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	672.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	1.5
59.01381	25.7
61.98525	1.6
61.98834	32.4
66.43652	0.9
69.39829	7.2
71.01388	13.6
72.99296	1.1
73.02958	6.7
76.67461	0.9
80.36401	1.0
82.02993	0.9
83.01406	2.1
84.04547	1.9
85.02980	4.5
87.00864	2.4
89.02440	4.4
96.96012	8.8
97.99463	0.9
98.57131	0.9
98.95544	0.9
99.00871	1.1
101.02457	8.4
102.05618	28.7
113.02452	3.7
116.92843	1.1
119.03516	1.8
128.03549	52.5
129.03978	1.0
146.04610	9.1
171.10223	0.9
209.11768	1.2
218.10696	0.9
223.17307	1.0
277.21683	5.2
295.22662	3.1
390.78091	1.1
439.26889	1.2
457.28122	6.4
499.29089	19.7
500.29477	2.5
542.33289	1.4
584.34448	1.6
586.30280	4.6
610.32532	8.9
628.33441	100.0
629.33661	14.6
672.29834	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	673.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.4
60.60942	9.7
61.98832	49.1
71.01389	13.1
71.60123	10.0
74.72242	9.8
77.83886	10.2
78.95941	17.6
84.73266	9.7
89.02425	13.4
101.02441	15.9
125.06097	24.1
125.09753	18.0
133.94142	10.2
139.64326	11.6
143.07144	95.8
144.07497	28.3
153.09146	13.4
170.58948	10.4
171.10303	100.0
172.10551	21.2
174.98022	10.6
223.13382	18.4
253.09238	19.6
254.09636	12.1
281.17834	12.7
291.19830	14.1
309.20551	20.5
310.21152	20.5
564.73419	11.4
672.36908	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	671.2681
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
50.61065	5.6
51.20312	6.0
61.98837	14.6
71.60319	8.1
71.60669	9.4
74.15611	6.7
78.95919	22.9
102.48814	6.0
152.99571	15.3
255.23279	19.0
547.64868	8.2
671.26642	100.0
672.27020	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	671.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
58.02985	1.0
59.01384	26.3
63.16365	0.5
67.03011	1.2
71.01387	11.2
71.09438	1.1
72.79423	0.5
72.99324	0.8
73.02952	5.9
74.02480	2.0
79.95748	0.8
82.02995	1.5
83.01389	2.0
84.04565	1.4
85.02970	2.5
89.02446	3.3
95.01385	0.8
96.96017	10.3
97.33488	0.5
98.02470	0.6
98.20758	0.5
99.00903	0.8
101.02448	4.9
101.07204	1.6
107.02508	1.4
109.04083	6.0
111.00880	0.5
113.02492	2.6
119.03494	0.7
125.02420	0.5
125.03556	1.5
127.05144	31.3
128.03540	16.7
145.06197	26.3
156.17632	0.5
169.36214	0.6
198.56367	0.5
241.00081	0.5
270.53125	0.5
277.21857	0.6
285.12451	1.0
286.12778	1.0
287.13107	0.8
289.22885	1.6
307.23990	0.8
361.29099	0.7
436.27948	0.6
549.31995	1.0
567.24683	0.7
567.33118	0.9
585.28809	6.3
593.29291	0.6
609.33710	3.0
627.35107	100.0
628.35413	12.7
671.29523	3.6
672.29095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08012	0.8
61.98840	7.0
69.64574	5.0
71.01402	1.4
78.95914	1.5
113.56401	0.8
115.00381	2.2
133.01427	3.6
151.00360	3.6
163.03943	1.5
166.95940	0.8
179.03333	0.9
202.24879	0.8
215.03552	1.3
227.03529	1.7
229.05051	1.3
243.02950	2.4
244.42351	0.9
255.02972	3.0
271.02469	30.9
272.02881	2.1
285.03925	1.4
299.01971	70.2
300.02521	9.2
301.03546	33.3
302.03854	3.4
427.53159	1.0
446.08511	22.9
447.09204	12.4
448.10056	1.0
463.08722	5.4
609.14587	100.0
610.15039	11.9
614.34515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.26991	1.3
69.27410	2.2
73.93590	0.4
78.95921	1.4
84.72978	0.3
88.00336	0.3
98.19927	0.9
149.97397	0.3
152.99577	0.5
159.00444	0.4
166.21017	0.4
197.91342	0.7
201.11337	0.7
203.69911	0.4
249.18666	0.6
256.07068	0.4
273.55206	0.4
277.21664	0.9
345.99100	0.4
451.15793	0.4
527.43744	0.4
581.89020	0.4
692.55267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.70419	0.8
78.95905	0.5
85.11279	0.2
107.95570	0.2
110.67373	0.2
149.06288	0.3
151.05411	0.3
152.99615	0.5
163.87688	0.2
171.10283	0.7
185.11574	0.2
200.14641	0.3
222.17485	0.3
277.21649	0.6
278.22180	0.3
529.22504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23108	0.6
56.32931	0.6
58.00576	0.8
58.02974	1.7
59.01384	23.6
61.98827	2.1
62.21570	0.6
67.03017	1.0
71.01391	12.3
71.60116	1.0
72.99300	1.6
73.02946	7.1
74.02473	1.6
82.02968	1.3
83.01379	2.5
84.04558	1.7
85.02959	1.9
87.00907	0.7
89.02463	2.7
95.01376	0.9
96.96013	7.4
99.00891	0.9
101.02456	5.1
101.07208	1.2
103.85492	0.7
107.02528	1.1
109.04079	7.2
113.02477	2.5
115.00359	0.9
115.92091	0.9
125.03568	1.2
125.07203	1.2
125.33849	0.7
127.05147	34.3
128.03552	16.8
128.05521	0.8
141.07498	0.7
145.06206	25.5
146.06544	0.8
258.52472	0.8
263.20203	0.7
275.20557	0.7
281.01956	0.8
283.06400	0.8
289.22723	1.0
294.91635	0.9
341.25766	1.0
343.27316	1.2
359.27130	0.8
377.35553	0.7
403.26041	2.7
405.27579	1.9
493.33145	0.8
501.44739	0.7
518.64124	0.8
583.27386	2.3
607.32483	3.0
625.33472	100.0
626.33832	16.8
643.58502	0.7
669.28363	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	669.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	34.8
61.98827	2.8
69.03450	1.3
69.35979	9.6
71.01403	7.1
73.02951	4.1
79.95769	1.1
82.02944	1.4
84.04536	2.0
85.02966	2.2
89.02474	1.8
96.96012	8.5
101.02437	2.5
106.06637	3.7
109.04107	3.2
113.02444	1.7
120.08192	2.6
121.05346	3.5
122.06142	19.4
125.03557	1.4
127.05147	28.5
128.03560	13.7
134.06126	12.3
145.06209	19.1
148.07718	1.6
160.06468	8.9
198.12843	1.8
213.10349	48.7
214.10611	4.4
214.12448	1.2
225.10356	2.9
226.11081	3.4
237.10411	1.3
239.11893	11.5
241.13483	23.2
242.13802	2.2
251.11946	3.5
267.11487	2.4
267.15027	9.7
269.12866	2.1
279.11404	10.7
285.12466	100.0
286.12741	7.3
311.14212	1.7
328.42554	1.2
339.13464	13.0
340.13754	1.6
351.19220	4.8
358.15787	1.9
372.91580	1.3
405.27621	1.4
521.25513	3.0
553.25165	1.3
565.24548	21.1
566.24622	2.5
581.27600	3.4
583.27679	3.7
584.26904	1.9
625.26239	46.7
625.33606	68.5
626.26764	10.1
626.34125	8.5
651.24866	1.4
669.27740	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	667.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
71.01380	13.5
71.59915	1.8
79.89686	1.1
89.02428	1.9
89.22799	1.2
93.03474	2.0
96.96004	1.8
105.03473	1.2
108.02040	1.2
113.02454	2.0
115.00384	17.4
119.05023	5.6
121.02964	3.3
122.03757	4.0
123.04530	6.1
129.34804	1.4
130.82182	1.2
133.01440	10.8
133.02980	3.5
134.03745	69.0
135.04489	5.2
136.01668	2.9
137.02457	9.8
139.04033	3.3
147.04497	2.1
149.02443	13.9
149.06079	20.4
150.03230	36.9
151.04012	22.8
160.01631	1.5
163.03995	10.1
164.04764	2.6
165.05559	36.8
166.05917	1.9
175.04022	4.6
176.04784	3.3
178.02707	29.2
179.03059	1.8
180.04221	3.2
181.05078	10.3
191.07104	4.3
192.04323	2.3
193.05052	78.5
193.55208	1.2
194.05392	3.3
195.06598	11.9
230.15845	1.5
231.51491	1.2
235.06085	13.6
238.77592	1.3
239.99573	1.2
252.72137	1.3
263.29871	1.2
267.06546	1.4
282.08981	5.6
297.11353	3.1
303.06989	1.3
341.10254	12.7
365.62384	1.4
389.12408	100.0
390.12686	8.2
431.13367	5.7
551.17706	78.9
552.18127	13.0
588.11438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08981	1.5
51.40026	1.3
52.81598	1.4
54.36251	1.3
59.01382	100.0
61.98829	2.3
62.49655	1.5
71.60081	1.6
78.95904	3.6
124.69443	1.5
152.99561	3.5
329.27798	1.6
330.97302	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69361	0.6
69.27232	6.4
71.01383	8.0
82.71646	0.6
91.06985	0.6
93.03478	1.1
95.25516	0.7
96.55350	0.6
100.29955	0.7
115.00374	7.3
121.02961	4.8
122.03741	2.8
133.01407	2.0
133.02980	1.3
134.03746	42.4
135.04166	0.7
137.02448	5.7
139.04012	1.7
149.02444	8.0
149.04895	0.7
149.06085	14.4
150.03226	29.0
150.06424	1.1
151.03633	1.1
160.64508	0.6
163.03989	1.3
164.04768	1.8
165.05571	35.8
166.05917	1.5
176.24510	0.6
178.01163	1.5
178.02721	28.0
179.03140	0.6
180.04251	1.7
193.05054	100.0
194.05435	4.3
195.06622	22.7
196.07062	1.1
228.56732	0.6
250.06256	0.8
282.09085	2.7
341.10333	12.5
342.10635	0.8
389.12421	45.5
390.12793	5.1
551.09351	1.1
551.17743	22.1
551.25995	1.3
552.18201	2.2
566.57764	0.8
573.66925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42717	0.4
59.01371	0.7
69.38584	1.0
69.38990	3.7
71.01383	10.1
72.99306	1.6
76.98314	0.5
77.34000	0.5
84.27681	0.5
85.02935	1.2
87.00884	0.7
89.02458	2.0
89.80110	0.5
95.01306	0.4
96.96022	0.7
105.03411	0.6
107.05075	0.5
115.00375	30.8
121.18812	0.5
123.04637	0.6
133.01439	100.0
133.03038	2.9
134.01753	1.7
134.03838	2.6
135.04533	21.0
136.04909	0.9
140.48778	0.6
159.04590	1.0
175.02531	0.6
177.01958	2.1
178.02440	0.6
179.03503	24.2
180.03845	1.0
187.65422	0.5
193.05017	1.2
209.03085	0.7
241.05054	1.2
256.07382	0.5
271.09784	2.8
295.04449	5.4
325.10910	0.8
369.09747	0.9
387.10962	5.7
389.13516	0.5
429.11597	1.0
489.14014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03455	4.2
58.29612	0.7
59.01368	2.2
63.85051	0.7
70.99253	1.4
71.01386	6.7
72.99318	1.9
75.00878	1.6
82.61925	0.6
82.62513	0.7
83.01377	0.6
84.02171	1.0
85.02957	45.0
86.03291	0.7
86.52219	0.7
87.00892	0.8
89.02448	2.5
108.65496	0.8
111.00882	3.2
115.00386	5.2
118.58698	0.8
129.01958	4.4
133.01442	13.8
133.02972	1.8
134.03760	1.2
135.04567	4.7
147.02997	2.1
173.00938	1.7
179.03490	3.3
181.71179	0.8
185.67113	0.7
191.00339	1.1
191.01971	20.6
207.42476	0.9
209.03032	100.0
210.03360	2.9
216.99060	1.7
230.65875	0.7
234.99265	2.7
248.97235	0.9
277.06363	0.8
289.00275	4.9
370.95273	1.6
371.06265	6.5
390.98932	0.9
434.98123	0.9
532.71606	0.8
667.01575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
58.00600	0.8
59.01382	22.5
61.98826	2.6
70.37057	2.1
71.01387	25.0
72.99290	1.0
73.02951	9.2
83.01393	3.2
83.28859	0.5
85.02959	4.0
87.00868	2.2
89.02450	7.2
95.01381	0.9
95.60201	0.6
96.95998	0.8
101.02452	10.5
113.02452	4.4
114.99639	0.8
115.00385	9.6
119.03493	2.3
125.02481	0.7
133.01437	1.2
177.61084	0.5
183.13901	1.7
226.64716	0.6
279.23291	10.3
280.23660	0.7
297.24341	3.1
373.68655	0.6
441.28677	3.8
442.29370	0.7
459.29620	13.6
460.29956	1.3
501.30707	100.0
502.31052	12.2
515.51929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.173
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64491	0.9
71.01389	14.4
96.27003	1.1
115.00367	5.4
117.03476	4.6
133.01418	3.8
134.03748	50.5
135.04025	1.2
149.06149	5.4
163.04272	0.9
178.02756	4.5
193.05069	100.0
194.05414	4.3
194.69185	1.1
195.44795	0.9
307.08478	1.0
309.06082	1.8
369.71414	1.0
436.02335	0.9
662.24432	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82995	5.5
52.41715	5.1
57.03441	15.9
59.01374	7.7
69.82781	31.2
71.01366	14.4
85.02953	100.0
105.68169	6.8
111.00893	5.0
115.00368	26.0
119.04990	9.0
128.20433	5.7
129.01906	9.2
133.01445	51.3
134.03770	13.1
135.04541	10.6
147.02972	18.4
163.03960	9.3
179.03438	8.6
191.01978	81.9
193.05093	14.5
209.03027	14.8
385.07544	17.3
387.10806	16.4
456.55524	6.2
501.35031	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	659.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90878	0.3
59.01383	100.0
60.01723	0.7
61.98844	1.9
71.02412	0.8
78.95905	5.4
96.97018	0.6
109.42960	0.4
118.47659	0.4
127.53929	0.4
129.31381	0.3
152.99609	2.5
171.10291	0.5
181.87218	0.4
201.15060	1.3
208.05827	0.4
225.11427	0.8
245.76385	0.4
251.91771	0.4
272.86118	0.4
277.21713	0.4
279.23373	1.3
295.17627	0.4
361.10623	0.9
379.11838	0.4
415.22592	0.4
478.81482	0.4
519.78265	0.4
541.37518	0.6
545.38007	0.9
563.39081	0.8
581.39758	0.5
641.35040	1.2
659.35339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57915	0.5
59.01384	100.0
60.01718	0.9
61.98848	2.6
69.65030	1.9
69.65456	1.1
71.26366	0.4
78.00134	0.5
78.95915	2.4
96.96943	0.5
115.59244	0.5
152.99628	1.3
155.10779	0.5
220.82852	0.5
255.23239	0.5
255.44853	0.5
279.23389	0.9
302.93924	0.5
541.36823	0.6
641.35022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	31.5
60.01726	2.5
61.01809	0.4
61.98837	100.0
69.53519	1.8
78.95908	4.7
88.98650	0.3
96.87827	0.2
96.96976	0.3
109.49603	0.3
119.11085	0.2
130.27196	0.3
152.22383	0.3
152.99612	3.0
153.64436	0.3
201.11354	1.1
201.15076	0.9
209.11858	2.4
227.12965	0.6
279.23288	2.3
363.12372	0.4
381.13376	0.9
415.23026	0.5
445.68109	0.3
606.99469	0.3
643.36591	1.5
661.37781	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01719	0.7
61.98838	0.9
71.31186	0.5
78.95901	0.5
86.14568	0.2
88.03553	0.2
131.11569	0.2
204.11623	0.2
364.95694	0.2
478.71732	0.2
541.37555	0.4
607.15479	0.3
612.74451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08655	0.9
58.87392	0.9
59.01382	28.8
61.98830	5.0
64.15057	0.9
68.53164	1.1
69.32117	2.9
69.32530	5.9
71.01386	23.5
72.99331	0.9
73.02946	8.6
83.01387	3.3
84.40829	0.9
85.02960	3.1
86.75722	0.9
87.00909	1.5
88.98834	1.8
89.02454	6.3
95.01392	1.3
96.21248	0.8
96.96021	1.7
99.42207	0.9
101.02444	10.3
113.02464	5.2
115.00383	11.6
118.90818	0.9
119.03492	1.7
120.13236	0.9
125.02477	1.2
133.01439	2.4
135.42764	1.1
138.36215	1.0
211.13434	1.0
223.17117	2.0
277.21790	7.9
281.17581	1.7
295.22833	5.3
439.27014	4.4
457.28152	15.6
458.28598	1.9
499.29123	100.0
500.29584	10.9
659.27972	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	659.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01384	100.0
60.01728	0.7
61.98838	4.3
64.67312	0.2
70.10186	0.9
78.95918	3.4
81.22451	0.2
96.97005	0.3
98.19966	0.5
110.86062	0.2
126.79812	0.3
152.99628	1.1
171.10301	0.4
201.15001	0.8
201.50932	0.3
201.76982	0.3
225.11317	0.7
277.21970	0.4
279.23380	0.8
319.15930	0.3
379.11887	0.5
409.60059	0.2
502.15234	0.3
541.37213	0.3
563.39178	0.4
659.35278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.8
59.81231	1.4
61.98830	5.6
63.08756	1.3
69.61968	2.7
69.62370	6.1
71.01396	7.7
73.02937	2.0
80.05052	3.4
81.03456	1.5
83.01373	1.5
85.02969	2.4
87.00900	1.6
88.98804	1.7
89.02441	3.2
94.06614	2.9
96.96004	15.5
98.02454	2.0
98.19789	1.5
101.02434	3.5
106.06633	5.9
107.03767	5.6
108.04546	4.3
110.02482	3.4
111.04514	5.7
113.02499	2.0
115.00385	2.6
120.04567	1.9
120.08195	13.0
121.05328	4.0
122.06125	48.4
127.05132	2.0
132.04578	5.5
133.01434	3.2
134.06139	9.8
136.07660	5.6
139.02792	2.0
146.06123	3.2
148.07718	2.3
150.05617	3.5
152.07175	44.9
153.18422	1.4
160.06470	6.9
160.07631	2.5
162.09268	4.7
163.03911	1.6
164.07158	2.1
171.10301	3.0
180.06685	12.4
198.13005	2.0
201.10313	4.5
209.11844	1.4
211.08702	2.8
213.10339	34.9
214.10608	1.8
221.15242	1.7
223.08716	3.6
225.10388	2.4
226.11020	3.4
227.12021	1.8
229.09785	7.4
233.47514	1.7
237.10271	1.8
239.08223	5.3
239.11916	16.0
241.13458	21.4
251.08371	2.6
251.11888	4.7
253.09727	4.9
253.13411	2.6
257.13028	3.6
265.09882	1.7
265.13443	1.8
266.10458	1.6
267.11441	6.7
267.14883	9.7
267.66315	1.5
268.12271	4.4
269.12924	2.6
279.11356	6.5
280.12186	3.4
281.12943	4.9
285.12439	87.7
286.12714	4.4
297.12448	25.1
298.13062	2.2
301.11942	15.1
306.07684	1.9
311.10330	1.7
311.13940	1.9
313.11972	1.7
316.14728	1.8
319.12964	15.3
374.18790	3.5
386.60754	1.5
432.19272	5.9
433.19986	2.3
450.20389	6.5
477.19067	9.5
478.19742	21.6
492.21423	47.6
493.21832	6.1
511.23224	2.1
523.23810	1.7
539.26416	6.4
555.26215	8.6
565.24353	2.1
581.23798	4.9
583.25616	100.0
584.25916	16.2
615.28302	58.7
615.38538	1.8
616.28400	7.1
641.26495	7.8
642.26978	2.1
659.27362	19.4
659.40009	8.7
660.27661	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	657.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78510	1.5
57.30841	1.4
59.01104	1.9
59.01383	34.3
61.98823	6.7
69.03458	1.7
69.52599	1.5
71.01382	37.4
71.59975	2.1
73.02951	16.2
83.01373	5.1
84.08842	1.4
85.02957	4.0
85.36249	1.5
87.00849	1.6
89.02436	4.4
96.73992	1.5
96.95997	1.8
101.02447	20.2
113.02441	5.3
115.00374	13.8
129.78061	1.5
141.16933	1.7
143.07118	1.6
161.04530	2.2
275.20111	11.7
293.21304	8.7
417.76089	1.6
455.26300	10.6
497.27567	100.0
498.28110	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	658.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
61.98833	100.0
64.52557	0.4
67.56261	0.3
68.59037	0.3
70.65971	0.8
75.84789	0.3
231.09451	0.3
240.74786	0.4
272.03418	0.4
383.03000	0.3
468.64880	0.3
598.32141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	20.8
69.49576	0.7
70.60513	2.1
82.38004	0.8
100.18964	0.7
104.83154	0.7
119.18889	0.6
121.03023	0.8
124.98257	0.6
129.97873	0.7
131.39442	0.7
151.00365	3.3
183.04520	1.1
185.06064	0.8
199.04060	1.1
202.81996	0.7
203.03654	0.8
211.03883	0.8
215.03322	0.7
227.03522	1.6
229.05113	1.4
243.03038	2.4
255.02995	3.4
271.02496	30.8
272.02948	2.2
283.02518	2.2
285.04153	1.3
299.01978	55.0
300.02530	8.6
301.03537	43.2
302.03833	3.6
446.08505	17.5
447.09241	14.8
448.09473	1.7
593.15125	100.0
594.15533	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	656.126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92406	1.5
56.87610	1.6
59.01377	1.5
61.98834	100.0
62.52557	1.5
62.89796	1.5
70.31425	1.7
70.31741	4.4
88.26964	1.7
94.68020	1.5
97.49506	1.6
121.02963	25.7
133.01396	1.8
209.04559	19.3
244.00130	1.7
445.70636	1.9
519.79523	2.0
549.09985	2.5
593.13068	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	656.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34182	0.3
61.98833	100.0
65.74374	0.3
68.97332	0.2
69.02719	0.2
74.63300	0.3
78.01056	0.3
80.16296	0.3
108.48289	0.3
118.90786	0.2
143.31981	0.3
148.95013	0.2
151.00378	0.5
211.04048	0.5
213.05476	0.3
227.03529	1.5
255.02998	5.2
256.03580	0.7
257.04855	0.4
283.02496	15.1
284.03137	3.3
285.04037	6.8
285.07047	0.4
286.04529	0.4
414.44052	0.3
430.08987	3.8
431.10077	0.8
447.09381	8.9
448.09769	1.0
526.08917	0.3
593.15143	17.7
594.15619	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	656.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36106	0.2
61.98832	100.0
62.98575	0.3
71.01400	0.3
71.60480	0.6
72.35677	0.3
76.89306	0.3
80.12231	0.3
93.95685	0.3
106.26779	0.3
115.00410	0.5
120.01204	0.3
120.11984	0.3
120.61415	0.3
133.01437	1.4
134.03760	0.7
137.02533	0.3
151.00421	0.4
169.06578	0.3
183.03014	0.5
187.03987	0.3
193.05122	1.1
193.96167	0.3
194.05457	0.5
227.03545	1.0
255.03009	7.5
256.03464	0.8
257.04425	0.3
283.02484	19.8
284.03165	2.7
285.04059	14.2
286.04333	1.3
346.08710	0.6
430.09064	4.7
431.09833	5.2
432.10367	0.4
435.87225	0.3
447.09299	5.5
448.10120	0.6
511.17163	0.3
593.15106	25.9
594.15387	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	655.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53070	0.5
53.53347	0.6
59.01371	2.9
59.13700	0.5
61.98831	1.8
69.03465	3.5
70.25737	1.8
70.26125	1.2
71.01367	3.0
73.02962	1.1
78.95924	1.4
81.03468	1.1
83.01358	0.7
83.05035	1.9
83.86068	0.6
85.02947	1.3
87.00874	1.5
89.02438	2.0
93.03451	0.8
95.05030	42.7
96.05392	1.1
97.06593	100.0
98.06943	2.3
101.02428	3.2
109.02925	0.5
111.04598	0.8
113.02452	2.2
115.07660	8.2
126.12643	0.6
141.05582	2.0
145.05106	1.3
145.48363	0.6
150.23766	0.5
159.06641	32.0
160.06976	1.2
161.04535	1.3
235.08240	3.8
253.09319	2.5
277.21725	40.0
278.22122	3.4
297.25137	0.6
377.14581	4.8
395.15619	4.9
442.84619	0.5
655.36981	86.8
656.37372	14.1
664.22375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.4
66.16718	0.4
66.94486	0.5
67.53908	0.4
71.01385	14.9
71.59704	0.7
72.99309	0.8
87.00919	0.4
89.02428	0.7
96.95966	0.5
97.41424	0.4
115.00380	20.0
116.92842	1.5
119.05030	47.4
120.05369	1.4
133.01440	55.1
134.01762	1.5
163.04018	100.0
164.04353	4.0
174.44910	0.5
198.12767	0.5
279.05023	5.2
350.69901	0.5
408.29224	0.5
424.62756	0.5
450.38239	0.4
499.48239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.37
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	4.1
59.01384	25.0
61.98840	3.1
69.03453	0.7
69.47740	4.6
71.01392	5.0
73.02978	0.7
78.95896	1.2
83.05027	1.0
85.02946	0.9
87.00878	1.0
89.02460	4.3
94.32196	0.5
95.05051	0.9
96.01313	0.6
97.06586	13.9
101.02439	4.6
102.02827	0.5
113.02438	2.8
119.03526	1.3
123.08161	7.5
125.09733	100.0
126.10081	3.2
141.01714	11.6
143.10812	1.0
152.99602	1.5
158.89423	0.6
161.04575	1.3
169.08765	2.7
179.05574	1.3
187.09767	74.4
188.10127	3.4
211.09805	0.9
249.18620	12.1
250.18805	0.8
253.09352	1.5
261.13464	1.7
279.23264	0.7
339.00049	1.0
380.36276	0.6
390.58923	0.6
398.13956	0.6
399.52402	0.6
405.17694	5.1
406.18323	0.7
423.18756	18.1
424.19040	1.4
593.07245	0.7
595.28961	1.5
655.36993	91.5
656.37341	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	654.257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
71.59694	2.0
87.25539	2.5
100.16012	2.2
188.35580	2.2
235.02637	2.6
513.08691	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	654.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
67.72536	1.3
70.20631	2.7
70.21028	3.9
78.95927	2.0
101.65616	1.5
104.29591	1.6
108.90022	1.8
110.16533	1.3
121.85013	1.4
124.45220	1.6
132.90495	1.8
145.31491	1.5
147.54355	1.5
206.84007	1.6
508.80792	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
57.03445	1.1
58.00597	2.2
59.01380	43.8
60.01714	0.4
67.01897	0.5
68.99807	0.5
69.03456	2.3
70.43256	0.6
71.01383	36.1
72.99298	2.7
73.02950	7.6
73.03345	0.5
75.00883	0.9
81.03468	1.6
83.01392	4.8
85.02950	8.4
86.00114	0.3
87.00879	9.3
87.04472	0.3
89.02446	33.5
90.02776	0.5
91.04024	0.7
93.03478	0.3
95.01385	2.6
95.05030	0.3
97.02945	6.0
97.03547	0.3
99.00887	2.5
99.04517	0.5
101.02444	29.5
102.02789	0.5
103.00394	0.3
103.03973	0.4
109.02956	0.6
111.00917	0.5
111.04517	1.1
113.02451	15.3
114.02795	0.5
115.04016	0.7
119.02645	0.5
119.03497	10.6
119.20486	0.2
121.02962	0.6
123.04536	0.5
124.01669	0.4
125.02447	13.2
127.04003	0.7
127.81772	0.3
129.01978	0.4
131.03513	1.6
133.05026	1.2
137.02480	0.5
139.03976	1.1
141.01958	0.6
143.03499	6.1
149.02359	0.3
149.04538	1.0
151.03964	0.4
161.04549	7.4
167.03546	0.6
169.05038	0.4
171.03036	0.4
179.05600	6.2
185.04668	0.6
199.06175	0.6
203.05550	0.5
205.18521	0.3
217.07147	1.0
219.05023	0.3
221.06618	2.2
235.08224	13.4
236.08548	0.5
237.22348	0.3
245.06648	0.7
253.09315	2.7
255.23289	100.0
256.23642	7.7
263.07861	1.6
269.24783	0.7
277.09241	1.1
287.07761	3.6
305.08771	4.1
323.09842	1.9
361.11356	0.5
379.12424	1.0
397.13498	83.1
398.13882	5.7
415.14560	32.0
416.14993	1.7
500.68515	0.3
587.84418	0.3
615.87317	0.3
653.36908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24128	0.2
61.98835	0.4
62.96400	0.6
65.31675	0.2
69.04940	0.2
71.04510	0.2
71.37623	0.3
77.13616	0.2
78.95909	100.0
96.96945	0.3
149.00099	5.1
152.99582	0.5
179.01152	0.4
205.15997	2.1
255.23300	0.5
285.12616	4.2
286.12927	0.2
355.16779	2.4
385.17709	1.4
391.22839	0.2
447.13464	5.8
448.13690	0.5
487.12527	0.3
653.30127	56.0
654.30450	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	653.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77158	0.3
54.59170	0.2
55.01885	1.7
57.03446	1.0
58.00603	2.1
58.86114	0.2
59.01384	39.9
60.01720	0.3
61.98837	0.8
67.01893	0.3
68.99804	0.5
69.03459	2.3
70.21240	1.1
71.01388	34.2
72.01716	0.4
72.99304	2.2
73.02551	0.4
73.02955	5.9
75.00885	0.8
81.03468	2.0
83.01406	3.9
83.05026	0.4
83.65635	0.3
85.02954	8.0
86.00132	0.3
87.00882	9.4
87.04514	0.4
89.02450	34.7
90.02808	0.4
91.04021	0.8
93.03446	0.3
95.01391	2.8
97.02957	6.4
99.00903	1.9
101.02449	27.4
103.00410	0.3
109.02971	0.6
111.00883	0.4
111.04546	1.1
113.02456	15.6
115.04025	0.7
119.02638	0.6
119.03504	9.2
121.02966	0.7
123.00877	0.6
123.04552	0.4
124.01656	0.3
125.02453	13.5
127.04026	0.6
131.03500	1.6
133.05095	1.5
137.02448	0.3
139.04059	1.2
141.01918	0.4
143.03505	6.1
149.02602	0.3
149.04561	1.0
155.03632	0.2
157.05042	0.3
159.03143	0.2
161.04568	7.1
167.03531	0.7
169.05118	0.6
171.02939	0.3
174.83832	0.3
179.05612	6.3
180.05875	0.3
181.05014	0.3
185.04573	0.7
199.06107	0.7
203.05591	0.5
217.07211	1.1
221.06680	2.4
228.54446	0.2
235.08235	13.6
236.08653	0.6
245.06656	0.8
253.09264	2.8
255.23297	100.0
256.23630	6.8
263.07678	1.5
269.24973	0.7
277.09259	0.8
287.07736	3.6
297.24576	0.3
305.08759	3.8
323.09772	1.7
361.11273	0.6
379.12457	1.0
397.13507	80.3
398.13803	4.9
415.14569	30.8
415.20358	0.7
416.14816	2.4
653.37994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30220	0.7
55.01885	1.5
57.03439	1.1
58.00597	2.1
59.01384	30.4
61.98822	1.2
69.03440	2.0
71.01391	27.9
71.59962	1.1
72.99310	3.1
73.02959	4.9
78.95898	1.6
81.03450	2.1
83.01394	4.4
84.51949	0.6
85.02962	6.4
87.00883	6.5
89.02451	26.0
89.03001	1.5
91.55964	0.7
93.03462	0.7
95.01390	2.2
97.02942	5.0
99.00877	1.6
101.02454	22.5
111.04524	0.8
113.02463	12.0
113.52783	0.6
119.03505	8.3
120.17233	0.7
121.02966	0.8
125.02461	10.3
131.03496	1.0
137.54332	0.7
143.03513	4.7
161.04590	5.7
179.05617	5.0
188.51984	0.7
214.48645	0.7
217.07146	1.4
221.06734	1.6
235.08235	12.0
245.06723	0.8
253.09309	4.3
253.21744	100.0
254.22093	7.3
260.65378	0.7
263.07886	1.3
277.09479	0.8
287.07672	2.4
305.08813	3.3
323.10086	1.7
331.92365	0.7
394.58566	0.9
397.13541	71.6
398.14044	4.3
415.14597	28.2
416.14792	1.5
480.87076	0.7
651.25006	3.7
651.34454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01727	0.8
71.01389	8.1
71.60092	0.7
73.02953	3.5
83.01397	1.3
85.02965	4.6
87.00904	1.2
96.96017	1.1
98.45272	0.6
99.00886	1.4
101.02451	8.4
101.03066	0.8
113.02433	3.7
113.99683	0.8
115.00379	6.2
116.05059	4.8
124.41755	0.6
128.03479	0.8
159.02917	0.8
161.04562	4.5
175.02467	5.4
244.06233	2.0
258.31522	0.7
261.13409	18.5
262.13641	0.8
303.14499	13.0
303.17862	0.9
304.15097	0.8
347.13483	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84494	0.4
55.01881	0.9
57.03444	1.0
58.00594	0.5
59.01097	0.6
59.01383	10.1
61.98820	0.7
65.70695	0.4
69.80038	0.4
70.91610	0.7
71.01392	9.7
72.99287	0.7
73.02945	1.3
74.02479	0.5
82.02997	2.2
83.01373	1.6
84.04559	0.5
85.02947	3.1
87.00877	1.2
89.02454	2.4
95.01382	1.3
96.95998	1.8
98.72802	0.4
99.00890	0.9
101.02447	4.4
107.02502	0.6
109.04097	3.8
111.00900	0.4
113.02450	2.7
115.00345	1.2
116.92850	0.5
125.03564	0.4
127.05148	18.5
128.03551	20.9
133.01431	1.7
136.03947	0.4
136.54977	0.4
143.04620	0.6
145.06212	6.7
151.66360	0.4
156.13960	0.9
196.87286	0.4
227.03522	0.6
241.05061	1.0
251.17569	0.5
271.09653	0.9
285.03918	1.3
292.22766	0.5
294.24344	0.5
359.28036	3.4
373.22058	0.5
377.28055	0.7
379.29657	4.3
407.32742	0.8
417.08475	0.9
425.33978	4.9
426.33896	0.6
503.31992	3.0
521.33051	0.9
526.43115	0.4
607.13562	0.5
631.38147	2.7
632.38403	0.5
649.39197	100.0
650.39667	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	651.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
66.91411	0.6
71.01387	14.1
71.54892	0.8
72.87263	0.7
89.03960	1.1
94.98732	0.6
101.26732	0.7
115.00374	6.5
117.03475	5.2
118.68605	0.6
133.01447	4.6
133.02969	3.3
134.03746	54.8
135.04057	1.4
137.02440	1.8
149.06102	6.7
161.02454	9.9
163.03992	2.0
177.02028	0.8
178.02733	4.9
179.03488	2.1
191.01978	0.9
193.05060	100.0
194.05443	4.4
209.02962	1.2
232.72481	0.6
297.21408	0.7
309.06137	3.6
341.08820	3.8
389.57190	0.6
547.93835	0.7
660.95831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03455	0.6
58.00588	1.8
59.01385	34.0
60.01706	0.4
61.98818	0.9
63.48534	0.4
69.03459	2.0
71.01386	31.2
72.12707	0.3
72.99313	2.6
73.02947	5.3
75.00876	0.7
81.03461	1.7
83.01389	3.7
83.05033	0.8
85.02959	7.7
86.00131	0.5
87.00881	6.8
87.93596	0.5
89.02450	30.9
93.03482	0.6
95.00868	0.4
95.01377	2.2
97.02953	5.8
99.00910	1.9
101.02448	26.4
103.03973	0.5
111.00920	0.6
111.04523	1.2
113.02457	14.4
113.03246	0.9
115.03996	0.5
116.67754	0.4
119.02659	0.5
119.03508	8.9
121.02969	0.6
122.41280	0.4
125.02451	11.2
131.03502	1.5
131.31841	0.4
133.05064	0.9
133.80943	0.4
139.04013	0.9
141.01979	0.9
141.85098	0.4
143.03499	6.2
149.04585	0.9
161.04573	6.1
171.03020	0.6
179.05615	5.2
185.04523	0.5
199.06093	0.6
217.07114	0.9
219.05106	0.7
221.06705	2.2
233.19212	1.1
235.08229	14.2
245.06633	0.6
251.20164	100.0
252.20531	6.4
253.09285	3.3
263.07602	1.2
268.85834	0.4
277.09213	0.9
287.07806	3.7
305.08771	4.1
323.09933	1.4
361.11734	0.5
379.12546	0.9
397.13507	75.3
398.13898	4.5
415.14563	33.2
416.14929	2.4
457.88889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03447	1.4
58.00603	1.5
59.01383	34.5
61.98839	1.3
68.99820	0.7
69.03470	2.4
71.01388	32.4
72.99310	2.5
73.02947	5.3
75.00858	1.1
81.03458	1.5
82.21284	0.6
83.01398	3.9
83.05043	0.5
85.02959	7.2
87.00883	8.9
89.02451	30.2
93.03492	0.6
95.01386	2.0
95.95263	0.6
96.95990	0.6
97.02956	5.8
99.00846	2.6
101.02448	27.3
111.04523	1.1
113.02460	14.7
115.04019	1.0
119.03516	9.5
121.02943	0.7
125.02456	11.9
131.03535	2.3
133.05090	1.1
141.01910	0.7
143.03526	5.9
149.04562	0.9
161.04543	7.3
169.05023	0.6
179.05640	6.3
199.06003	0.7
217.07083	0.9
221.06682	1.8
233.19049	0.9
235.08231	13.4
236.08600	0.6
245.06653	0.7
251.20166	100.0
252.20576	6.4
253.09235	3.1
263.07635	1.1
265.21924	0.6
277.09506	1.2
287.07791	2.5
287.31601	0.5
305.08740	3.3
323.09863	1.5
333.24591	0.6
361.11389	0.7
379.12384	1.3
397.13507	72.6
398.13828	4.3
415.14587	31.9
416.14941	2.0
437.64560	0.6
513.97467	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2531
Annotation	15-Hydroxyansamitocin P-3
Peak:m/z	Relative Intensity
59.01384	14.6
61.98827	4.3
69.75262	9.2
71.01393	3.8
76.21062	1.5
78.95887	1.9
79.95744	42.3
80.96539	2.1
95.95243	12.0
96.96017	100.0
100.93285	1.6
103.00387	7.1
109.89913	1.8
112.35051	1.6
116.92863	3.2
150.97058	6.0
152.98671	2.0
159.28703	1.6
164.98650	2.0
182.66208	1.7
192.10756	1.7
194.99678	2.5
230.82890	1.9
241.00240	5.2
256.99756	10.2
545.24347	2.7
563.16376	3.3
563.25281	70.6
564.25201	9.3
605.26331	36.8
606.26538	6.5
631.25299	2.3
649.25299	48.1
650.25793	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	649.272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01776	0.5
55.32335	0.4
57.03442	0.6
58.00610	0.6
59.01385	26.9
61.98827	0.7
69.27814	4.0
69.28231	0.9
71.01387	26.4
72.99295	1.2
73.02951	11.2
83.01385	3.7
85.02963	3.9
87.00877	2.3
89.02441	7.3
95.01391	1.4
96.96012	4.3
99.00909	0.6
101.02450	11.7
109.06634	0.5
112.24083	0.5
113.02441	4.7
115.00381	11.8
119.03489	1.8
127.05178	0.8
131.03531	0.6
133.01428	2.3
137.27324	0.5
145.06200	0.8
147.27158	0.5
155.10791	2.0
161.04517	0.6
223.17006	1.7
249.18521	0.7
267.19653	19.0
268.20062	1.6
285.20752	3.8
429.25000	3.6
447.25970	11.2
448.26303	1.3
489.27066	100.0
490.27396	10.4
533.30194	1.0
563.24084	0.7
605.26050	0.8
649.24200	1.2
649.39435	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69936	1.3
70.05271	3.3
70.05663	3.0
71.01381	22.2
76.91533	1.3
81.88493	1.3
96.96024	2.0
115.00379	21.4
121.02958	3.6
133.01445	2.7
145.02939	2.3
147.04517	4.4
148.05301	3.7
162.06819	1.5
176.04805	1.8
191.03574	6.9
191.07169	9.1
192.04295	1.9
193.05081	1.5
206.05730	2.9
220.03867	1.7
222.06836	1.9
223.07582	2.6
235.06053	4.7
238.04756	4.0
239.07094	4.1
249.05565	2.8
250.06320	2.3
251.07172	8.4
262.06384	2.7
263.07092	6.1
264.07776	2.8
265.05179	2.6
266.05841	7.0
267.06622	21.1
268.07019	1.9
277.04993	2.4
279.06714	19.4
279.09946	2.1
280.07043	2.6
281.08194	4.5
282.08920	12.6
294.05334	15.2
294.08978	10.3
295.06100	6.5
297.11267	4.8
307.05801	2.0
309.07724	26.4
310.08084	3.5
321.07813	2.5
322.08459	6.8
323.05630	14.1
323.08963	2.6
325.07263	2.7
326.07980	7.6
327.08612	2.2
327.12329	2.4
337.07178	3.6
338.07962	35.0
339.08344	3.9
340.09445	2.4
341.10284	51.1
342.10834	2.3
353.10306	63.6
354.10574	6.8
371.11371	86.7
372.11774	7.8
395.11310	1.4
465.84424	1.6
503.16086	2.0
528.47437	1.5
533.16650	100.0
534.16992	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	649.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07473	4.1
52.21711	4.3
65.08099	4.0
69.26199	20.8
69.26626	21.2
71.01384	41.9
98.19925	11.9
115.00401	23.2
117.03467	5.1
121.02945	6.8
133.01428	12.0
134.03760	54.0
149.02467	27.4
149.06024	4.6
164.04771	22.0
193.03304	6.3
193.05072	100.0
208.03778	5.3
223.06133	81.6
223.50114	5.5
235.23795	4.6
267.06570	5.3
279.06842	4.9
294.04926	5.2
322.78418	4.5
323.05786	4.6
330.13443	4.0
335.58044	4.9
338.07983	8.1
341.10291	9.2
353.10309	14.3
354.95071	4.0
365.31259	4.1
371.11426	10.5
378.48514	4.7
533.16510	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	649.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97832	0.6
67.90870	0.6
71.01389	18.9
71.59687	1.3
72.99303	0.8
75.00260	0.6
87.48424	0.7
115.00385	11.3
121.02955	1.9
132.24640	0.7
133.01450	2.6
149.68031	0.7
157.90341	0.7
193.05031	1.1
206.07335	0.8
207.08221	0.9
209.06123	0.9
222.06720	1.1
223.07631	1.7
235.07582	1.5
239.07097	3.2
249.05466	1.8
250.06389	1.4
251.07138	7.5
255.46877	0.8
261.05453	1.1
262.06433	2.1
263.07059	4.7
264.07886	2.4
265.05075	1.2
266.05905	1.5
267.06622	15.6
268.07050	1.1
277.05057	1.4
277.08719	1.2
278.05817	0.9
279.06653	15.3
280.06998	1.4
281.08243	1.4
282.08972	8.9
293.08203	1.2
294.05353	4.7
294.09009	5.8
295.06131	5.0
295.09277	1.3
297.08380	1.0
297.11252	4.5
307.06161	3.0
308.07013	1.2
309.07721	10.4
309.11154	1.1
310.08344	3.9
311.05725	1.6
321.07629	1.7
322.08401	9.5
323.05646	16.5
323.09103	2.3
324.06143	1.1
326.07907	7.0
337.07166	2.9
338.07965	18.2
339.08441	1.5
341.10309	54.9
342.10495	4.1
353.10318	100.0
354.10617	7.9
371.11362	11.6
497.58704	0.8
533.16766	5.4
534.17401	0.9
557.65503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.376
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96135	0.6
59.01383	14.5
61.25809	0.6
70.18159	2.7
71.01386	10.1
72.35188	0.6
72.99319	0.7
73.02942	1.7
74.02451	0.8
77.10938	0.6
78.95888	0.7
82.02977	1.8
83.01354	0.8
84.04556	1.3
85.02966	3.2
87.00871	1.3
89.02451	4.7
95.01363	0.8
96.96015	1.1
101.02460	5.8
101.07188	0.8
105.64456	0.7
107.02484	0.6
109.04060	2.7
113.02469	3.3
115.00368	0.7
119.03502	1.1
121.10245	0.7
127.05143	16.3
128.03549	21.6
145.06194	5.9
251.17644	1.5
265.19330	1.5
268.03665	0.8
283.05972	1.6
300.08539	0.6
339.25500	1.8
357.26416	2.4
393.30902	1.1
501.30542	2.4
629.36316	3.3
647.37616	100.0
648.37970	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	648.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88592	1.0
59.01378	4.3
61.98833	100.0
71.60384	1.0
77.83089	1.0
78.95894	6.3
88.55404	1.1
116.92888	1.4
136.37321	1.1
151.05293	1.1
152.30028	1.2
152.99593	4.1
175.63449	1.0
238.37541	1.1
333.72430	1.3
348.30856	1.2
413.15686	1.4
568.24121	1.2
651.30511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01388	4.8
61.98831	1.4
71.01387	6.9
71.60861	0.9
73.02941	0.7
79.95706	0.5
81.50283	0.5
83.01366	0.8
85.02959	1.8
88.74735	0.5
89.02451	1.6
95.05022	0.8
95.95227	0.9
96.96015	3.3
101.02436	2.7
111.08121	1.3
113.02525	0.8
115.00390	6.4
116.05041	0.9
121.06777	0.6
133.01460	6.4
155.10797	1.5
165.12857	17.8
166.13161	0.7
167.01662	0.9
183.10394	7.0
183.13904	58.2
184.10661	0.6
184.14246	2.5
209.11772	1.5
211.13409	2.4
227.12897	100.0
228.13245	6.3
253.09375	1.7
262.08762	2.6
263.09534	2.8
278.11871	6.5
279.12177	1.2
287.23788	4.4
305.24963	0.9
306.07755	1.0
313.21722	2.2
322.10886	1.6
331.22797	3.7
349.23825	6.3
356.09689	5.2
357.09830	0.7
367.24884	1.9
419.19324	1.3
542.27863	0.7
568.27997	0.7
585.32416	3.4
603.33807	2.1
647.32526	15.0
647.48602	0.7
648.33173	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	647.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71152	0.3
55.01888	1.6
57.03456	1.7
58.00599	2.7
59.01384	55.6
60.01726	0.5
62.86194	0.3
68.99813	0.7
69.03460	2.6
70.03849	1.7
71.01387	42.8
72.99310	2.8
73.02955	6.8
75.00876	1.3
81.03462	2.3
83.01395	6.5
83.05036	1.1
85.02959	10.5
86.00118	0.4
87.00883	12.2
87.04544	0.5
89.02449	40.8
89.23128	0.3
90.02798	0.4
91.04015	0.8
93.03458	0.5
95.01383	2.5
97.02952	6.8
97.06599	0.6
98.76828	0.3
99.00895	3.2
99.04530	0.4
101.02450	35.7
102.02771	0.6
103.04058	0.3
109.02959	0.6
111.00894	0.9
111.04533	1.2
112.01645	0.4
113.02457	18.2
115.04036	0.9
118.67581	0.3
119.03515	11.9
121.02938	0.8
123.04543	0.4
124.01752	0.4
125.02454	14.0
127.04042	0.4
131.03505	1.8
133.05081	0.8
137.02419	0.6
139.04005	0.7
141.01926	0.9
143.03506	7.2
143.04590	0.5
144.03864	0.4
149.04549	1.3
154.97992	0.3
157.05022	0.5
161.04558	8.7
167.03526	0.8
167.48473	0.3
169.05077	0.8
171.03064	0.3
179.05635	7.5
185.04504	1.1
199.06075	0.5
205.19592	0.8
217.07237	1.6
219.05008	0.5
221.06670	3.2
231.17577	1.4
235.08243	16.3
236.08606	0.6
245.06644	1.0
247.17068	0.8
249.18607	100.0
250.18932	7.5
253.09317	4.9
263.07816	2.1
263.19986	0.5
276.06461	0.4
277.09232	0.7
287.07715	4.3
305.08734	4.5
323.09747	2.0
361.11401	0.6
379.12411	1.9
397.13516	85.7
398.13885	5.3
415.14569	39.3
416.14966	2.7
502.09848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68265	0.3
55.01880	1.8
57.03448	1.4
58.00589	2.4
59.01384	53.4
60.01726	0.4
60.43052	0.3
62.18053	0.3
68.99815	0.5
69.03452	3.0
71.01386	42.1
72.99308	3.1
73.02954	7.6
75.00882	1.0
77.41350	0.3
81.03455	2.0
83.01390	5.3
83.05032	0.9
85.02959	10.7
86.00130	0.6
87.00884	10.6
87.04497	0.5
89.02450	39.1
90.02776	0.5
91.04022	0.9
93.03457	0.6
95.01392	3.7
95.05048	0.4
97.02962	7.7
97.06615	0.6
98.20724	0.6
99.00887	2.5
99.04520	0.8
101.02451	35.8
102.02785	0.6
103.04012	0.5
109.02962	0.9
111.00881	0.8
111.04543	1.3
113.02457	17.4
115.04025	0.7
119.02641	0.7
119.03503	12.2
121.02948	0.8
123.04568	0.4
124.01702	0.5
125.02451	15.0
125.79931	0.3
127.04038	0.4
131.03516	2.2
133.05067	1.4
139.04025	1.1
141.01947	1.1
143.03499	7.0
149.02446	0.3
149.04553	1.1
151.04120	0.3
157.05063	0.5
161.04562	10.3
163.19232	0.3
167.03494	0.9
169.05171	0.7
175.14943	0.5
177.16399	0.4
179.05629	7.9
185.04636	0.8
199.06163	0.6
203.05632	0.4
205.19641	1.2
217.07147	0.7
219.05101	0.5
221.06717	2.3
228.12257	0.3
231.17549	1.1
235.08240	15.9
236.08539	0.6
245.06630	0.9
249.18607	100.0
250.18982	6.3
253.09297	6.2
254.09718	0.4
263.07703	1.6
277.09335	1.4
287.07703	2.9
291.19498	0.4
305.08838	4.1
323.09744	1.9
361.11401	0.7
379.12427	0.9
397.13519	80.3
398.13815	6.1
415.14587	35.9
416.14682	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	647.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
66.73125	1.2
70.90219	1.1
71.01382	19.7
71.60302	2.2
72.99297	1.6
73.13371	1.4
89.02404	1.4
96.96008	1.4
108.24152	1.2
115.00376	24.6
119.05035	49.5
133.01442	78.7
134.01720	1.5
134.03758	8.5
135.04521	8.9
163.04016	100.0
164.04407	4.1
176.03572	2.8
179.03481	9.5
185.53720	1.6
193.05054	14.9
194.86658	1.3
279.05042	7.2
338.08795	3.3
354.01480	1.4
445.55280	1.4
445.61996	1.6
567.90265	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22284	2.0
57.03446	4.8
59.01383	100.0
61.98826	3.7
70.34784	4.4
70.35165	4.8
70.80763	2.1
71.01385	57.9
73.02949	20.8
83.01385	9.4
85.02965	26.1
87.00887	6.3
89.02441	22.1
95.01385	6.8
96.96005	8.1
97.02949	3.4
99.00858	6.5
101.02444	29.9
109.04143	2.6
110.65849	2.4
111.00832	3.3
111.04490	2.6
113.02473	29.4
115.00406	2.9
119.03500	7.4
124.01677	3.0
125.02493	3.6
127.05134	11.5
128.03558	12.6
143.03468	3.5
145.06219	11.3
159.02902	2.9
161.04523	9.6
201.10896	2.6
221.74164	2.3
268.03760	2.8
283.06052	7.4
381.22934	3.2
399.23648	7.2
411.94766	2.8
443.35043	2.4
536.42334	2.7
543.28076	87.8
544.28717	12.7
561.19885	7.7
561.29108	67.0
562.29504	9.0
603.30206	7.7
646.35889	3.2
647.37744	49.4
648.37964	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	645.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.08368	0.5
60.01717	1.1
61.98837	5.5
71.50111	0.6
71.51183	0.5
78.95908	1.6
87.46323	0.5
87.68295	0.5
92.55535	0.5
92.66846	0.5
100.67932	0.5
102.72358	0.5
102.73155	0.5
112.57050	0.5
148.05315	18.0
149.05635	0.9
152.99620	1.2
163.07651	18.7
164.08133	0.7
168.42589	0.6
202.90596	0.6
208.09589	0.6
211.13385	0.8
277.21780	3.0
322.45099	0.5
411.79651	0.6
599.32452	0.5
620.06635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09407	0.3
58.70041	0.3
61.29095	0.3
62.26799	0.3
67.65631	0.3
70.09248	0.7
70.09606	1.3
71.01385	13.6
71.82867	0.3
72.99321	0.6
85.02969	0.5
89.02460	0.5
89.03983	0.9
96.96046	0.7
115.00384	9.2
117.03466	4.2
121.03004	0.5
133.00427	0.7
133.01442	13.3
133.02946	0.6
134.03749	50.6
135.04056	1.6
137.02475	1.2
139.04022	0.6
149.06094	6.7
149.07228	0.5
177.02031	0.3
178.02733	4.5
193.05061	100.0
194.05379	4.0
194.56766	0.4
194.95453	0.3
266.94250	0.4
307.09634	0.4
309.06161	5.7
337.05743	0.4
350.96515	1.2
647.27289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08835	0.5
51.39884	0.5
55.01878	0.6
57.03429	0.9
58.00579	1.0
59.01383	18.6
61.98826	0.9
64.12030	0.4
70.50569	0.5
71.01391	11.1
71.60285	0.7
72.99310	1.7
73.02939	3.2
74.02477	1.5
76.81750	0.4
78.21644	0.4
79.95756	0.7
82.02975	1.7
83.01381	1.4
83.05015	0.5
84.04554	0.9
85.02954	3.4
86.99227	0.4
87.00851	1.1
89.02441	5.2
95.01407	0.8
96.96002	3.4
97.06609	0.5
99.00897	0.5
101.02440	6.0
107.02544	0.6
108.04572	0.6
109.04095	4.0
111.00786	0.5
113.02443	3.6
115.00360	1.3
119.03526	0.8
120.08200	0.7
121.10192	0.5
122.06121	1.1
125.02382	0.7
125.26206	0.5
127.05142	21.5
128.03545	20.4
132.81648	0.5
133.01399	1.0
134.06079	0.5
145.06203	13.0
146.06415	0.5
150.05571	0.5
152.07207	0.6
153.12833	0.9
155.10744	0.6
161.04536	0.4
171.10280	1.0
180.06535	0.6
181.08658	1.4
183.10258	1.6
183.13885	0.5
199.09813	0.8
209.11855	3.2
211.13452	2.6
226.18179	1.2
227.12886	2.5
230.81477	0.6
253.09444	1.4
268.03732	0.8
269.13095	0.5
283.06161	1.5
285.04095	0.5
285.12518	1.3
293.22308	1.3
337.23770	0.8
342.59360	0.5
355.24918	2.6
391.29572	0.9
421.30856	0.6
463.22137	0.6
478.19879	1.5
485.23401	0.7
499.29202	2.1
517.64374	0.5
529.26733	0.8
583.25470	0.9
601.27118	3.3
627.34949	2.2
645.36102	100.0
646.36517	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	645.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69435	27.3
59.68228	32.5
69.25497	28.6
69.80530	34.4
71.01392	35.8
71.59928	59.0
75.07090	28.9
83.25426	40.0
85.02941	60.8
106.43401	30.3
107.93811	31.3
115.00376	100.0
116.05061	34.8
128.03578	31.6
130.08722	35.1
133.01445	73.4
143.04628	33.4
175.02368	72.5
179.56508	34.5
280.02823	32.2
285.04025	52.4
330.88211	34.9
340.22440	75.4
401.81046	31.3
437.95471	33.2
441.25711	35.5
562.85217	38.1
575.19098	38.4
610.92725	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91820	1.4
52.29902	1.7
66.96342	1.5
67.13263	1.4
71.01386	20.8
71.79189	2.0
72.99315	18.8
87.92543	5.0
93.03486	2.3
96.95402	1.8
96.96024	1.9
99.00885	2.1
103.92033	32.1
104.92818	15.8
114.94875	7.2
115.00375	25.4
116.96462	6.7
121.02953	8.6
123.94613	3.6
128.03555	4.3
130.94380	11.6
132.02176	4.6
132.95941	3.1
133.01440	44.7
133.02910	13.0
134.01727	2.0
134.03717	6.5
135.04541	32.9
146.93816	1.8
148.95302	2.2
148.96951	2.0
158.93890	25.6
159.94330	2.1
160.01669	2.5
161.97720	1.9
167.98766	3.5
168.95908	2.2
171.31267	1.6
174.93246	1.6
175.94229	2.5
177.02049	2.2
177.97220	7.6
178.02740	1.9
179.03491	16.2
185.96234	3.0
188.94893	22.6
188.96465	35.1
189.96738	2.1
190.98009	17.8
192.95944	6.5
193.96727	4.1
201.97229	6.3
203.93626	5.2
204.94374	20.0
204.96025	7.2
206.97502	38.9
213.95724	26.4
214.96196	2.3
214.98010	11.6
216.95990	15.0
216.99573	6.7
217.96707	3.7
220.95367	6.0
221.96205	5.5
222.96942	2.2
223.97765	6.2
229.95229	3.2
230.95929	100.0
231.96652	8.5
231.98672	1.8
232.95406	10.8
232.99019	6.7
234.96982	39.4
235.97464	2.0
243.98392	2.6
247.94089	8.6
247.97754	6.4
248.94823	5.6
249.05513	3.9
249.95660	9.5
250.96486	51.5
251.97020	3.5
257.94550	3.9
258.97122	13.8
259.97437	3.2
260.93347	2.9
260.98605	27.1
261.99164	6.1
262.96518	3.4
265.95169	4.1
274.94904	14.1
275.97345	13.1
276.98145	5.4
277.98816	3.8
278.99695	2.4
279.96741	2.3
286.96683	3.4
286.99866	2.2
288.94336	3.5
301.93808	5.7
303.97147	1.8
304.97577	27.4
305.98212	7.8
306.95453	3.3
307.95978	2.2
319.94513	14.7
321.97653	10.8
323.00278	2.9
324.00797	6.1
335.65964	2.0
347.95685	38.7
348.96463	51.4
349.97238	58.9
350.97739	4.9
351.03183	1.9
365.96719	14.2
366.97449	6.2
367.99734	3.0
381.96222	6.3
393.97522	10.1
394.98203	2.4
411.98489	10.1
412.99509	6.1
434.12793	2.2
437.98825	3.3
440.02155	4.0
463.97034	2.4
469.12979	1.9
481.97885	62.9
482.98352	8.0
484.01007	3.1
509.98981	8.6
528.00006	15.7
529.01019	9.3
644.00934	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30676	1.1
57.97546	3.9
59.01384	27.0
60.05354	1.1
61.98829	3.5
66.95394	1.2
69.03458	1.3
71.01389	13.0
71.60764	1.2
72.99300	3.0
73.02941	4.8
74.02466	2.9
78.95857	1.3
83.01400	1.2
84.04562	2.1
85.02956	7.8
89.02440	3.5
93.19530	1.4
96.96017	9.6
100.78280	1.2
101.02425	7.8
106.06599	1.3
107.02549	1.3
109.04069	6.5
111.00889	1.7
113.02459	3.0
127.05149	32.6
128.03535	19.6
128.05531	1.3
133.01378	1.3
143.04605	1.3
145.05019	1.4
145.06189	28.5
159.77975	1.1
167.26682	1.2
171.10297	1.6
193.89835	2.0
209.11833	1.9
223.11801	1.4
225.11292	3.1
227.12991	1.4
234.52740	1.3
261.19565	1.4
279.20676	1.3
342.31665	1.3
402.98492	1.3
461.20166	1.6
515.17041	1.3
557.31055	2.5
561.27661	1.2
581.30511	2.9
599.31915	100.0
600.32135	12.3
606.72461	1.6
625.27380	2.1
643.25330	2.2
643.36169	6.6
653.21228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.5
61.98838	11.8
68.65380	0.5
69.89716	2.3
71.01362	0.7
80.61654	0.5
83.01390	0.6
99.52759	0.5
101.73473	0.4
107.01390	0.6
108.17413	0.5
133.01401	1.3
151.00407	2.8
167.74173	0.4
199.03999	1.3
211.04013	0.8
215.03600	0.5
225.11426	0.7
226.02702	0.6
227.03539	1.6
229.04936	0.6
232.26582	0.5
237.50854	0.5
243.02995	2.3
255.02922	2.6
271.02493	31.8
272.02820	2.0
299.01987	72.3
300.02499	8.1
301.03543	17.2
302.03986	1.6
332.20465	0.4
357.34143	0.5
375.69388	0.5
377.74667	0.5
396.12817	0.5
433.07822	3.6
446.08560	30.9
447.09204	7.5
579.13593	100.0
580.13885	10.0
641.26794	0.6
642.26794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	97.6
60.01726	1.1
61.98837	3.7
69.62879	0.5
77.41027	0.5
88.71938	0.5
90.97147	0.6
92.48248	0.5
118.96607	0.5
132.98209	1.6
157.03563	3.9
159.01520	3.0
174.97719	0.9
174.99254	22.1
176.98114	4.4
201.02565	62.9
202.02701	4.6
217.00310	100.0
218.00650	2.9
219.63541	0.5
219.97809	1.3
343.03711	15.6
344.04074	2.2
359.01477	83.2
360.01740	6.5
490.31244	0.6
501.02765	5.5
502.02261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.99293	0.5
57.03415	0.7
58.00592	0.8
58.02989	0.5
59.01384	17.3
61.98835	7.5
62.35140	0.5
69.68533	0.5
71.01388	12.9
72.99295	1.5
73.02943	1.0
75.42388	0.4
78.19432	0.4
78.95899	0.6
79.95741	0.4
80.96479	0.6
82.02985	2.1
83.01377	0.7
83.80908	0.5
84.04517	0.5
85.02962	3.6
87.00870	0.8
89.02459	6.3
95.01393	1.0
95.05009	1.6
96.95996	1.4
98.06123	1.3
98.20654	1.0
99.00861	0.6
101.02455	5.7
101.07198	0.7
106.63308	0.4
109.04066	1.5
113.02479	3.2
113.06084	0.8
115.00378	0.8
116.92921	0.6
119.03474	1.3
124.07617	0.5
125.78627	0.5
127.05157	11.6
128.03548	11.9
133.01436	1.1
134.03738	0.8
135.04553	0.6
139.08771	1.2
145.06187	3.4
150.05536	0.9
151.04030	0.9
165.10364	3.2
183.11452	1.3
186.85939	0.4
193.05176	0.6
201.16545	0.6
201.53676	0.5
208.08603	0.7
209.08862	0.4
215.42528	0.4
233.16664	0.5
239.67137	0.4
284.03064	0.5
285.04034	0.8
357.13477	1.1
372.22437	0.5
443.25714	0.6
463.28278	1.0
464.77573	0.5
578.15906	0.7
623.32361	4.4
624.32153	0.7
641.32947	100.0
642.33276	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	0.7
61.98826	3.3
62.49918	0.7
66.80109	1.0
74.20837	0.9
76.49058	0.9
78.95913	0.7
79.91798	0.7
88.87177	0.7
98.19932	2.3
105.81512	0.8
115.90288	0.9
121.02970	1.7
147.81384	0.8
171.10280	6.8
249.18582	3.3
367.68945	1.1
417.17120	2.3
418.17944	5.1
419.18692	1.1
431.18826	2.5
432.19504	6.1
433.20474	12.0
434.17303	1.5
446.21204	1.2
447.21820	3.1
448.18634	1.7
449.19785	3.2
461.19833	30.5
462.20132	5.2
475.21701	5.6
476.22031	2.0
479.20865	3.1
491.20944	2.5
492.21057	1.0
517.22687	1.1
520.21448	9.1
521.21698	1.0
534.22540	1.4
535.23352	2.2
538.22455	8.7
552.23773	3.6
553.16046	1.4
553.24567	25.4
554.24609	3.8
593.27924	2.7
609.26721	1.1
621.27362	4.2
639.28235	100.0
640.28394	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	640.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93304	0.1
60.01825	0.1
61.98833	100.0
75.03991	0.1
81.51736	0.1
104.12924	0.1
146.94887	0.1
161.02621	0.1
165.52254	0.1
169.06635	0.3
185.06084	0.1
197.59315	0.1
211.04050	0.1
213.05649	0.3
227.03606	0.2
229.04913	0.2
239.03664	0.1
241.05098	0.2
246.54778	0.1
255.02974	2.2
256.03555	0.2
257.04504	0.3
275.14215	0.1
283.02496	5.6
284.03052	0.6
285.04062	8.2
286.04495	0.5
427.49182	0.1
430.09149	1.2
431.09836	3.5
432.10257	0.3
499.74957	0.1
577.15680	9.7
578.15808	1.3
578.22900	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	639.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29932	2.1
59.01382	58.3
61.98829	13.6
71.01398	10.5
71.08743	4.1
73.02956	4.2
78.95908	3.8
79.95747	9.4
80.96518	5.0
85.02960	6.0
89.02444	6.0
96.96016	100.0
99.00914	2.1
101.02434	11.6
103.00368	8.5
106.22284	1.9
113.02484	4.3
128.75279	2.2
164.98648	5.7
194.88499	2.1
223.13399	2.8
241.00171	3.1
321.85895	2.5
326.48038	2.1
455.26572	2.9
473.27408	3.9
515.28583	17.5
529.31427	2.9
535.22192	7.7
553.23303	16.1
595.24231	75.4
596.24664	7.5
603.41931	2.7
621.21246	3.1
639.23291	45.2
639.32935	4.5
640.23224	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	637.2666
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
63.20335	1.0
65.98293	1.0
70.42078	2.1
70.42460	1.6
78.95911	1.1
80.96514	4.5
116.92854	3.7
122.46442	0.9
133.01408	1.2
138.49541	0.9
139.64630	0.9
152.99593	1.5
159.86742	1.0
421.20511	1.3
460.19446	1.2
475.17499	13.5
476.18271	3.4
477.19409	5.3
481.25656	2.0
485.77899	1.0
490.20819	1.3
491.21042	2.3
531.20209	5.2
555.28375	7.5
577.24432	21.2
578.24768	2.7
605.24280	2.5
637.26660	100.0
638.27002	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73961	2.7
53.27466	2.6
59.01380	3.1
61.98827	9.1
63.94710	2.8
71.14605	3.1
74.99102	16.0
78.95909	91.7
96.96980	7.0
109.27611	3.1
113.17513	2.9
131.13838	2.9
152.99603	100.0
153.02962	2.8
176.02110	39.7
177.02365	8.2
178.01692	4.2
196.65105	2.7
201.11360	9.7
209.11804	24.6
227.12952	3.6
258.17261	3.2
277.21719	22.9
278.22009	12.2
279.23248	5.6
280.23691	3.6
363.12192	6.2
381.13116	38.8
390.02649	2.9
393.09576	3.1
399.14233	50.4
436.12103	3.5
617.34656	4.5
635.25720	5.8
635.34869	17.2
636.35809	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	637.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13537	0.6
55.72576	0.7
65.27039	0.6
71.01385	10.5
71.60015	1.2
72.99302	1.9
89.02442	1.7
93.03461	1.1
96.96071	0.6
98.40429	0.6
115.00378	28.4
117.03471	0.9
119.05032	1.0
133.01437	100.0
133.03041	2.8
134.01807	1.4
134.03729	2.0
135.04532	22.8
137.02434	2.6
149.06107	0.7
161.02451	7.4
163.04012	2.3
177.01950	1.5
179.03499	26.6
180.03941	1.1
209.38811	0.7
242.51508	0.6
243.06651	1.9
295.04559	6.1
315.08911	0.7
323.05942	0.7
341.08875	3.8
388.80417	0.8
490.17209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	3.2
62.49085	1.2
70.84071	2.3
70.84420	1.6
74.02480	2.9
78.95898	2.2
80.96505	5.4
83.83084	1.3
111.14698	1.3
116.92851	6.2
125.98296	1.5
132.30829	1.4
152.99600	1.4
225.00836	1.5
249.27910	1.3
433.16388	6.1
434.17313	5.3
447.18469	10.1
448.19031	7.5
449.19843	2.2
454.66418	1.5
462.20779	9.1
463.21234	4.4
475.18253	1.8
492.18088	2.2
493.18295	1.8
506.19626	2.8
507.20248	5.1
520.91882	1.5
521.22101	13.9
522.22229	3.8
535.19604	2.9
550.22375	2.7
551.22656	2.0
555.28290	9.6
577.24683	3.1
593.23706	1.6
608.26373	18.5
609.27393	6.3
622.24493	5.3
637.26660	100.0
638.26794	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	635.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95018	2.1
59.01377	10.2
60.74213	2.4
63.05819	2.4
69.76448	13.4
71.01384	38.0
72.99295	2.4
78.95921	3.3
85.02953	6.5
89.02446	9.4
93.03464	9.3
96.96024	32.3
96.96969	4.2
113.02422	7.9
115.00379	43.5
117.03439	8.0
119.05031	75.9
120.05414	2.6
121.02962	3.9
123.04501	3.0
133.01450	29.0
133.02960	3.2
133.06570	4.3
134.03746	37.9
135.04547	13.3
135.05481	3.1
145.01855	3.6
145.02951	47.4
146.03397	2.7
147.04468	2.6
148.05240	3.3
149.06107	14.5
159.04544	5.0
160.01654	12.1
161.06065	9.4
163.03998	52.6
175.03989	21.5
176.04776	3.7
178.02698	9.4
179.03435	2.6
187.03993	11.3
191.07039	4.3
193.05078	31.1
205.05046	8.1
211.07661	3.2
217.05003	5.5
226.06308	3.5
235.06062	8.7
238.06358	21.1
240.07863	3.4
241.08684	5.1
251.07220	4.7
252.07820	3.1
253.08670	42.9
254.09468	24.5
255.09952	2.8
265.07220	7.1
267.10196	15.3
269.09119	2.8
269.11719	13.3
280.07413	9.0
283.09814	4.6
291.46753	2.3
294.08893	2.5
295.09879	18.4
313.07364	4.3
313.10751	28.1
325.09296	29.8
355.10684	21.7
357.09796	100.0
358.10037	9.7
399.10846	45.9
400.11096	4.8
403.10330	4.8
429.11746	7.5
459.13049	25.4
478.86960	2.5
519.15540	12.8
577.24896	2.7
626.20154	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	634.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38259	1.3
51.91941	1.3
61.98829	4.2
65.20792	1.5
71.13792	2.2
71.14110	1.2
74.99097	29.0
78.95912	17.6
95.70006	1.1
96.96947	1.4
101.29135	1.4
128.01790	2.4
144.70279	1.4
152.99580	14.8
176.02090	100.0
177.02391	2.7
201.11282	2.5
209.11792	2.7
249.18532	1.6
277.21719	56.0
278.22067	4.5
279.23276	42.8
280.23523	2.0
381.13123	3.8
399.14249	5.3
549.21210	1.6
634.38788	7.1
635.25891	2.6
635.35718	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	635.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.8
59.01394	4.7
65.00302	0.5
70.76525	1.0
70.76894	1.0
71.01385	13.9
76.22022	0.4
78.07250	0.4
80.54547	0.4
83.01366	0.7
85.02955	1.0
87.00896	0.6
89.02455	4.7
91.01918	2.2
93.03462	4.1
96.99301	3.1
98.22585	0.5
98.39328	0.5
101.02444	1.4
108.02169	1.1
113.02455	2.2
115.00378	11.8
117.03450	1.3
119.03485	1.9
119.05033	5.9
123.04546	6.8
124.71133	0.5
131.03458	0.5
131.05089	1.5
132.02179	0.6
133.01442	11.3
133.02910	2.5
134.03784	4.8
135.04532	0.8
143.03380	0.7
143.05038	10.6
143.06017	0.4
145.02943	2.9
146.03755	3.4
147.04474	0.9
148.01601	0.7
149.06085	0.8
158.03757	3.8
159.04543	5.7
160.01709	0.5
161.04631	0.6
161.06085	1.5
163.04025	5.5
171.04518	1.0
173.06102	2.6
174.03169	0.5
175.03938	0.6
177.01840	0.6
178.02657	0.6
179.05659	2.3
187.04005	1.5
190.12646	0.5
193.05070	3.5
226.06361	23.4
227.06754	1.1
235.07726	1.0
237.05721	0.5
238.06438	0.8
241.08711	28.3
242.09027	1.8
250.06374	1.9
251.04703	1.0
251.07152	15.9
252.07802	6.3
253.08727	3.8
254.09593	1.2
263.07080	1.1
265.08676	1.5
267.10233	2.7
279.06680	4.8
280.07410	14.6
281.07901	1.0
292.07672	0.7
295.09769	14.8
296.10132	1.2
313.10864	0.7
324.06339	1.9
339.08725	9.9
340.09119	1.0
355.11728	1.8
357.09805	100.0
358.10104	7.3
359.11325	0.9
371.11459	1.2
399.10837	12.8
400.11151	1.1
403.10437	0.8
429.11978	3.5
440.77304	0.6
459.13007	7.7
460.13815	0.8
519.15118	5.1
520.15601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58780	0.5
57.03440	0.7
59.01384	25.0
61.98827	2.8
66.34788	0.5
69.03487	0.6
71.01391	26.4
71.16020	1.1
72.99326	1.4
73.02950	10.4
83.01383	3.6
85.02959	2.8
87.00876	2.1
89.02457	5.9
94.66867	0.6
95.01424	1.0
96.96010	1.3
99.00892	1.2
101.02454	12.9
113.02482	4.9
114.17144	0.6
115.00378	11.2
119.03503	2.0
126.82523	0.6
131.03516	0.7
133.01443	2.0
142.75264	0.6
143.03529	1.0
155.10748	0.7
157.14287	0.5
160.25648	0.6
161.04535	0.8
167.70293	0.5
183.10287	9.3
183.13939	1.8
195.13916	1.8
209.11722	0.8
211.13394	15.6
222.08917	0.6
249.18567	7.4
253.09329	1.4
267.19736	3.4
341.67535	0.6
411.23932	4.7
419.18906	1.0
429.24942	18.5
430.25348	1.6
471.26013	100.0
472.26324	9.4
515.28772	2.1
613.32343	1.0
614.87085	0.6
631.29974	1.2
631.39105	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	631.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74887	0.2
61.98835	100.0
70.07797	0.6
70.08221	0.4
73.47786	0.2
73.49687	0.2
84.19376	0.2
98.20002	0.3
260.27090	0.2
283.47354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00250	0.4
55.01875	0.4
58.00584	0.7
59.01387	27.1
61.98849	3.0
69.38837	3.0
69.39260	1.4
69.48430	0.5
71.01389	29.3
72.99326	1.1
73.02952	11.7
83.01398	2.9
83.63856	0.5
85.02959	3.4
87.00893	2.9
89.02448	7.7
95.01366	0.7
96.95995	0.7
97.02962	0.5
98.19859	0.9
99.00871	0.7
101.02457	12.7
113.02475	4.4
115.00380	12.6
116.05072	0.6
119.03494	2.3
125.02477	0.8
130.57034	0.5
133.01411	1.2
147.07259	0.6
155.10760	1.7
158.76187	0.5
161.04555	0.6
171.10258	0.8
251.20183	16.1
252.20532	0.5
269.21332	2.7
376.18875	0.5
413.25397	4.4
428.37433	0.6
431.26505	15.4
432.26953	1.1
473.27573	100.0
474.27908	10.8
633.24768	0.5
633.38873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47597	1.7
58.06749	1.9
58.37672	1.7
58.94827	1.8
61.98819	6.5
67.03148	1.7
71.60799	3.1
73.02954	5.0
75.00911	2.9
87.85643	1.8
99.39590	2.0
99.92602	14.2
116.07172	5.4
116.92870	100.0
117.01952	7.5
117.92830	3.3
156.72855	2.0
171.94714	2.2
179.38165	2.0
234.17323	1.9
379.39371	2.0
521.30042	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	629.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16068	1.1
59.01386	17.8
61.98837	6.7
69.03446	2.0
71.01391	12.6
71.60411	1.1
71.60846	2.1
72.99319	1.8
73.02959	1.3
74.02483	1.0
83.05048	5.9
84.74439	1.1
85.02955	3.8
85.06609	1.7
87.00854	1.7
89.02438	6.1
91.75848	1.1
95.01386	1.1
95.05038	5.7
96.96028	7.1
97.06588	12.2
101.02464	8.7
103.40659	1.2
109.06589	3.0
109.08182	1.3
111.08168	2.9
113.02451	3.9
118.35885	1.4
119.05029	1.2
120.08186	3.3
122.06125	3.8
123.08147	2.0
125.06151	1.5
125.09748	1.7
127.05116	1.6
133.01396	1.2
133.06654	1.6
134.06126	3.1
135.08165	1.7
140.13402	1.2
143.07146	10.1
145.06192	2.7
152.07175	3.5
155.10869	1.6
161.04553	1.2
161.09698	1.6
171.10315	2.3
181.08751	4.4
183.10292	4.1
183.13904	2.0
187.15010	1.4
196.39186	1.2
199.13301	1.6
205.12369	1.6
205.15962	2.3
209.11891	5.6
211.13362	13.4
213.14919	1.6
215.14354	3.0
221.15424	1.9
227.12924	6.7
231.13994	2.3
233.15459	21.9
234.15692	1.6
249.14964	8.4
251.16551	2.7
253.09271	5.5
253.13318	2.5
287.23691	1.4
291.19345	1.3
303.23358	2.0
313.21759	3.1
331.22702	3.8
339.19638	4.0
347.22284	2.2
357.20712	9.8
375.21780	26.9
375.26355	2.2
393.22858	14.0
433.19986	1.4
505.21848	1.6
506.22122	6.2
513.27106	4.2
516.28601	1.5
585.27319	2.6
611.22858	1.0
611.30664	43.6
612.30573	6.0
629.31769	100.0
630.32538	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	629.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69791	1.1
59.01388	13.7
61.92353	1.3
61.98817	3.5
64.06319	1.1
65.03951	3.0
67.86736	1.2
71.01058	1.2
71.01384	9.5
71.60000	1.6
72.99279	2.5
73.02929	1.5
78.95885	2.0
83.05016	6.1
85.02940	4.1
87.00877	2.0
89.02458	7.0
91.22903	1.2
95.05038	6.1
96.96009	3.3
97.06603	9.8
101.02460	8.3
109.06637	1.9
113.02412	3.6
115.00335	2.4
119.03442	1.4
122.06106	1.4
125.09715	10.5
133.01430	2.1
135.08182	2.5
143.07162	2.4
161.04509	1.9
161.13312	4.4
169.10283	2.0
171.10260	17.4
177.12830	3.6
179.10805	1.7
181.08711	1.3
182.31078	1.3
183.10231	5.3
183.13898	1.8
185.11824	2.1
187.11269	4.3
196.12184	1.3
203.10843	1.6
205.12325	23.2
209.11794	5.8
211.13396	8.0
215.14484	1.8
221.11803	4.4
223.13416	1.3
227.12877	3.9
233.15460	23.2
234.15744	1.7
235.13422	1.5
237.15053	1.2
253.09224	5.0
255.15964	1.6
263.16470	1.8
303.23276	3.3
313.21664	2.0
331.22641	4.5
339.19684	3.1
347.22351	2.5
349.23788	1.5
357.20792	8.3
365.23093	1.4
375.21765	31.4
376.21973	2.9
393.17889	1.8
393.22858	20.4
393.27887	2.0
394.23380	2.2
431.29596	1.6
462.20383	1.3
505.92343	1.5
521.48389	1.6
611.30780	39.3
612.31030	5.5
629.31744	100.0
630.32147	11.4
654.35406	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96525	1.0
56.44490	0.7
57.03445	1.1
59.01096	1.2
59.01381	17.2
61.98843	4.3
65.03967	1.5
69.03443	1.5
70.27416	1.0
70.79250	0.9
70.79593	1.7
71.01385	12.0
71.05006	1.4
73.02953	2.9
73.93925	0.7
81.03467	2.2
82.87616	0.9
83.01379	1.4
83.05036	8.7
85.02948	4.7
85.06610	1.0
87.00897	1.5
89.02445	6.5
91.05538	2.5
93.03440	1.3
93.07101	1.2
95.01446	1.1
95.05025	2.1
96.96014	5.7
97.06591	2.1
99.00863	1.1
101.02454	7.7
107.05029	2.1
109.06586	5.2
113.02449	4.3
115.00364	3.0
116.05069	4.1
116.92859	1.7
119.03491	1.5
119.05017	2.3
121.06581	1.4
123.08157	2.3
125.09715	6.7
131.08643	0.9
135.08202	1.4
137.09589	1.2
145.06172	1.0
145.51439	0.9
152.07133	2.4
159.11835	2.5
161.04570	2.0
161.13364	3.1
163.11307	1.0
167.20499	0.8
171.10278	32.4
172.10664	1.0
175.11278	2.2
177.12833	9.6
181.08736	1.2
183.10233	5.5
185.09729	1.6
185.11853	1.4
187.11324	1.4
203.10782	3.1
205.12347	11.4
209.11867	7.7
211.13376	2.4
221.11842	7.5
227.12878	2.6
237.14992	1.8
249.14970	1.6
253.09309	6.0
255.16020	3.2
263.16507	2.0
265.14386	3.4
269.12766	1.1
281.17844	1.0
303.23389	2.1
313.21738	2.9
321.24307	1.2
329.21167	1.2
331.22855	7.5
339.19315	1.2
347.22324	1.5
349.23792	4.7
357.20969	4.1
375.21729	18.9
376.22156	2.2
377.92490	0.9
393.22794	22.8
394.23166	2.0
427.19513	1.6
430.17639	1.9
431.17987	1.8
469.20740	13.3
470.21506	1.6
513.26947	1.6
585.23828	0.9
585.35999	1.5
611.30780	9.3
612.30920	2.0
629.31842	100.0
630.32269	16.5
644.71704	1.1
654.94092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	1.2
59.01098	1.8
59.01383	31.1
61.98817	3.4
71.01387	34.2
71.30472	0.8
71.60741	1.2
72.99337	1.1
73.02956	13.7
79.95743	14.9
82.27096	1.0
83.01385	4.5
85.02965	5.1
87.00893	3.2
89.02448	6.3
95.01344	1.2
96.95999	5.2
99.00893	1.2
101.02445	14.9
106.06647	1.3
113.02462	4.8
115.00371	11.7
116.05141	1.3
122.06141	1.6
125.09708	1.8
128.03596	1.2
133.01447	2.0
136.07661	2.9
137.55115	0.9
161.04526	1.6
171.10277	2.7
180.06638	2.0
181.08717	2.5
183.10271	5.9
184.00583	1.0
195.13965	1.7
199.13393	1.8
205.12364	5.1
209.11813	3.8
211.13351	6.5
216.46417	1.3
225.11378	1.1
227.12953	6.9
247.17052	4.7
249.18602	1.4
252.07352	6.7
253.07405	2.0
253.09714	1.5
265.18185	2.1
281.12802	1.5
357.20883	1.5
375.21884	2.4
387.87259	1.0
393.22910	1.1
409.22192	3.7
427.23370	14.0
428.24081	1.4
451.71399	1.3
462.20248	8.6
469.24429	100.0
470.24734	7.8
513.26672	1.6
585.26575	1.3
611.30914	5.9
612.31256	1.3
629.31396	4.4
630.34399	1.2
648.08484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21827	0.4
59.01388	1.1
61.98826	1.5
69.72924	0.4
70.84124	0.4
71.01385	12.6
72.99307	0.8
74.02473	0.5
77.03969	2.6
77.51097	0.3
89.03990	0.7
93.03474	0.8
95.05034	5.3
96.96014	1.4
98.39376	0.4
100.63440	0.5
105.03467	17.3
106.03838	0.6
114.99642	0.7
115.00385	6.9
123.04558	2.4
132.02200	1.1
133.02962	100.0
134.03386	2.3
135.04529	23.8
136.04930	0.5
137.02429	0.7
151.04074	0.5
172.05272	4.1
173.06129	1.3
177.01935	95.3
178.02339	4.9
179.03502	28.6
180.03833	1.1
221.98311	0.5
306.08008	0.4
307.09863	0.5
335.11380	4.0
336.11792	0.4
373.34787	0.4
433.11588	1.0
451.12515	1.1
504.36752	0.4
513.14008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.8
59.01101	1.5
59.01389	30.4
60.01742	0.9
60.74025	0.8
61.98827	3.5
71.01387	29.7
72.99316	1.5
73.02953	14.6
74.02476	1.6
79.95753	7.8
83.01393	5.5
83.05036	0.9
85.02942	5.3
87.00885	2.7
89.02458	6.6
96.96023	3.6
97.02914	1.1
98.20630	2.0
99.00876	1.5
100.46529	0.8
101.02454	14.4
108.04545	0.9
111.00911	0.9
112.43684	0.9
113.02458	6.4
115.00378	12.5
119.03499	2.9
125.09762	1.1
133.01453	2.2
134.06111	1.2
136.07675	2.8
143.03520	1.3
145.06215	1.3
161.04489	1.3
171.10312	1.4
180.06673	2.5
181.08582	1.4
183.10265	5.7
195.13895	2.1
199.13437	0.9
203.18086	0.9
205.12289	1.9
209.11786	3.2
211.03490	0.9
211.13426	6.2
227.12886	5.0
239.11952	0.8
247.16972	4.2
249.18594	1.5
252.07324	2.7
253.07373	1.0
253.09590	1.0
265.18039	3.5
281.12991	1.4
284.11502	0.8
313.21552	0.8
346.25296	0.8
357.20743	1.2
375.21838	1.8
393.23010	1.4
409.22244	3.2
413.10727	0.9
427.23349	14.2
428.23416	1.7
462.20276	11.0
463.21167	3.0
469.24432	100.0
470.24802	6.1
482.15427	0.8
600.50995	0.9
611.30859	4.6
629.22217	1.8
629.31421	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	629.056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53330	0.4
67.99091	0.3
71.01389	16.6
71.60268	0.5
72.99313	5.9
74.27673	0.3
76.35856	0.4
87.00897	0.5
89.02449	2.1
91.05558	0.3
96.96034	0.9
107.05056	0.4
115.00380	48.5
116.00697	0.6
117.03457	0.6
128.03523	0.5
133.01443	100.0
133.02863	5.2
134.01799	1.6
134.03743	7.3
135.04536	54.7
136.04854	1.5
136.14986	0.4
137.02428	0.5
151.04039	0.4
152.95975	5.3
161.02454	19.5
170.97005	5.1
177.01985	0.5
179.03505	57.7
180.03862	1.7
191.00272	1.2
204.99045	2.3
216.99083	46.1
217.99486	2.0
218.04520	0.5
234.99179	1.1
245.01428	0.5
248.97255	0.6
271.10950	0.8
286.98007	0.6
289.00394	3.3
295.04584	6.2
333.00183	46.6
334.00549	2.2
351.01230	0.7
361.02386	1.3
394.41571	0.4
467.02347	0.8
473.76291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24256	2.2
59.01377	5.4
60.50451	1.9
61.98830	23.4
71.01392	4.3
71.60024	2.4
71.60452	3.2
77.65421	2.1
85.02964	2.6
96.96040	4.6
99.99355	2.4
100.70531	2.3
115.00401	4.0
115.58940	2.3
116.56918	2.4
125.12865	2.7
133.01439	4.8
161.36890	2.5
171.10246	4.2
227.03467	3.5
243.02724	2.7
255.02989	21.8
271.02478	9.1
283.02460	47.1
284.03104	8.0
285.04053	33.4
286.04288	3.4
299.02005	26.1
301.03473	22.6
397.13434	6.7
430.09225	11.1
431.09827	11.5
446.08487	8.9
447.09354	20.0
566.14459	3.8
593.15076	100.0
594.15515	5.6
628.24103	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	629.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.0
70.72934	1.3
71.01388	16.8
72.99313	5.2
87.00883	1.2
89.02465	1.2
93.03463	0.6
107.05015	0.7
115.00381	49.4
115.34348	0.6
116.00758	0.9
117.03478	0.6
133.01440	100.0
133.02858	4.6
134.01799	2.0
134.03741	7.8
135.04533	52.8
136.04861	2.2
146.96643	1.0
152.95940	5.0
161.02452	18.8
161.03732	1.2
162.02773	0.6
170.96999	5.2
179.03503	54.8
180.03868	1.8
191.00343	0.8
193.02690	0.5
195.03143	0.6
201.01695	1.4
204.99095	2.6
213.00153	0.8
216.99088	45.1
217.99419	1.4
233.53949	0.5
234.99237	0.8
248.97125	0.8
286.98303	0.7
289.00394	4.0
295.04602	7.4
296.05051	0.6
333.00180	49.7
334.00595	2.1
351.00977	0.8
467.02484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32076	0.9
70.12969	3.6
71.01389	16.3
71.21612	1.1
72.99313	4.2
96.96048	1.4
98.19971	1.4
107.05081	1.8
114.84788	1.0
115.00378	46.8
133.01443	100.0
133.02870	5.7
134.01779	1.0
134.03752	8.4
135.04527	55.3
136.04883	1.4
152.95984	4.6
161.02460	17.4
170.84941	1.2
170.96994	3.8
177.01888	2.0
177.43378	1.1
179.03502	51.1
180.03802	2.0
191.00273	5.9
192.20062	1.1
200.97211	1.5
204.99107	2.5
216.99113	41.7
217.99367	1.4
222.99278	2.4
234.99147	7.0
242.98547	1.1
245.01311	2.4
248.97220	3.4
289.00302	21.5
290.00476	1.3
295.04596	6.3
333.00168	49.0
334.00519	1.4
351.00397	1.8
353.03537	2.2
361.02338	9.8
397.02332	2.6
405.01331	2.6
449.00195	1.6
469.04489	4.1
513.03217	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
56.68898	0.2
57.03461	0.2
58.00593	0.8
58.02969	1.1
59.01382	25.4
59.76034	0.2
61.98833	0.8
67.03011	0.7
69.03462	0.3
70.20545	0.6
71.01384	10.1
72.99315	1.0
73.02954	4.7
74.02484	1.6
78.95893	0.2
82.02988	1.6
83.00935	0.4
83.01379	1.8
84.04562	1.6
85.02952	2.6
87.00858	0.5
89.02448	2.7
95.01394	0.6
96.96024	0.6
97.02944	0.3
97.04050	0.3
98.02486	0.7
99.00864	0.5
101.02445	5.0
101.07186	1.4
107.02527	1.3
109.04083	5.7
113.02463	2.7
119.03503	0.6
120.08257	0.2
122.06142	0.4
125.02600	0.2
125.03580	1.4
125.07247	0.4
127.05145	32.6
128.03549	15.5
128.05487	0.8
129.03902	0.4
129.86040	0.2
131.03468	0.2
134.06123	0.5
135.65363	0.2
143.03571	0.2
145.06197	24.8
146.06606	0.3
152.87395	0.2
211.13313	0.4
213.10368	0.6
214.10684	0.5
225.11440	0.3
228.85503	0.2
241.13589	0.3
277.21851	0.5
285.12466	1.1
286.12881	1.1
287.13010	0.6
289.22964	1.6
295.22968	0.3
307.23920	0.6
343.27478	0.9
361.28534	0.6
387.26959	0.3
439.27310	0.6
481.27945	0.6
549.32086	0.8
567.25061	0.4
567.33099	0.6
583.27386	0.3
585.33838	0.7
609.33777	2.9
610.33917	0.5
627.35046	100.0
628.35388	13.7
628.46100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41053	1.6
58.75659	1.7
59.01126	2.4
59.01386	24.7
61.98831	13.3
69.96545	5.5
70.30572	1.6
71.01385	13.4
72.04531	2.3
73.02979	2.4
79.95723	1.6
80.96517	5.0
82.02980	3.6
85.02957	6.5
89.02439	3.1
95.01380	2.4
96.96020	6.6
98.06116	2.6
101.02455	4.6
113.02460	4.2
115.00391	3.4
127.05136	17.4
128.03525	10.6
133.01472	2.7
133.02850	1.7
134.03741	3.1
139.08755	4.3
145.06145	2.2
149.21187	1.8
165.10271	3.7
168.03053	1.6
177.01915	2.5
191.01953	2.5
209.11839	2.7
220.16666	1.9
227.03342	2.1
241.05164	4.2
242.05478	2.4
247.18192	2.2
255.03021	5.3
256.07550	3.5
271.09753	6.8
284.03113	3.6
285.03970	10.3
286.04410	3.3
301.22858	2.5
328.33911	1.8
345.21768	6.4
363.22873	12.9
431.09598	2.0
432.09805	2.1
537.17920	3.7
541.27600	4.6
565.27826	4.7
583.28735	100.0
584.29071	9.5
627.27307	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	627.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12840	6.3
59.01379	100.0
61.75492	7.6
61.98809	18.2
68.66650	6.5
71.15877	13.7
85.87667	6.7
87.92540	11.2
96.95985	6.1
103.87926	7.7
104.25704	7.5
130.21352	5.9
141.01717	64.4
148.71245	6.4
171.94682	39.3
249.18536	7.9
315.18536	6.8
339.00232	40.5
397.87833	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	627.2101
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
73.03107	0.7
77.39407	0.3
82.60580	0.3
94.71455	0.3
116.24863	0.3
121.11063	0.3
149.00037	0.4
166.16812	0.3
168.69737	0.3
193.12405	0.3
197.37779	0.4
229.54701	0.3
271.00259	0.3
407.69052	0.3
437.12872	1.0
438.13501	1.0
449.15945	0.6
451.14618	1.0
452.14966	4.3
453.15219	0.8
455.17447	0.5
465.16199	1.0
466.16681	0.8
467.17157	0.4
469.11365	0.4
479.17462	0.9
480.14310	0.8
481.15042	9.0
482.15530	1.1
483.19821	0.4
484.14252	0.8
492.16614	0.3
493.15662	1.4
494.16315	0.7
495.16797	15.8
496.17236	2.7
507.16803	0.7
508.17874	2.4
509.18301	1.2
512.13428	1.0
518.16461	0.4
521.14685	0.9
523.16437	1.3
524.17468	0.3
526.15131	1.0
533.17883	0.5
535.16309	2.4
536.16907	2.5
539.15698	0.8
539.22754	0.6
540.16321	3.1
540.23450	0.6
541.16595	0.4
551.19427	40.2
552.19696	6.1
553.17004	0.4
554.17596	1.0
555.18750	1.2
567.19019	0.8
568.15857	0.8
572.15527	3.3
573.15137	0.5
582.18414	0.3
586.16846	2.4
587.17188	0.4
595.18378	9.9
596.18805	1.9
626.27039	0.9
627.20886	100.0
628.21283	17.8
628.29376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43802	0.5
51.79428	0.4
55.44463	0.5
57.03450	0.8
58.00587	0.8
58.02985	2.1
59.01383	26.1
61.98845	2.0
63.04953	0.5
66.64754	0.5
67.61454	0.6
68.27644	0.6
71.01388	12.2
71.01765	0.8
71.05031	1.0
71.60540	0.5
71.60948	0.5
72.99321	1.0
73.02948	7.0
74.02501	1.6
78.95913	4.2
79.95740	0.9
82.02994	1.4
83.01405	1.8
84.04566	2.5
85.02934	2.8
86.23923	0.6
87.00901	0.8
89.02448	2.5
95.01403	1.0
96.96024	4.2
97.02960	0.5
99.00884	1.0
101.02451	5.3
101.07224	2.1
107.02547	0.6
109.04088	4.5
113.02431	2.7
119.03480	0.9
122.06166	1.5
125.03629	1.5
125.07281	1.5
125.09727	0.7
127.05142	34.5
128.03548	15.8
128.05504	0.6
131.03503	0.7
134.06129	1.0
145.06198	25.1
152.99605	3.3
157.71208	0.6
197.11897	2.5
209.11934	0.8
211.13383	0.7
213.10411	2.4
231.21191	0.9
241.01224	1.9
241.13428	1.1
275.20187	0.8
285.12415	6.4
315.04935	0.7
341.26138	1.0
385.25058	2.3
389.19720	0.8
403.25986	7.2
405.27652	1.1
547.30951	0.8
565.24237	0.9
565.31824	0.9
581.23279	0.8
583.32690	2.1
607.32813	2.6
625.33813	100.0
626.25079	1.0
626.34174	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	625.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.6
59.01384	16.1
61.98834	3.9
67.10936	0.5
69.03445	1.0
71.01390	13.5
71.59995	0.6
72.99303	1.2
73.02946	2.4
74.02465	1.2
74.52749	0.5
78.38872	0.5
80.02703	1.2
81.03445	1.4
83.01396	1.8
83.05038	5.5
84.02177	1.3
85.02960	3.6
86.02496	0.8
87.00880	3.8
89.02451	15.1
95.01385	1.1
95.05060	0.6
95.95263	0.6
96.96022	4.4
97.02966	2.7
97.04057	0.7
99.00861	1.4
99.05639	0.9
101.02455	12.1
105.99681	0.9
107.64255	0.5
113.02453	5.9
115.00370	1.2
118.55978	0.5
119.03503	4.9
125.02471	4.3
125.06094	0.7
128.03558	4.9
129.03899	0.7
133.01381	0.9
135.08133	1.1
143.03497	2.0
143.04628	4.5
151.00346	0.6
153.06688	1.2
160.00812	1.7
161.04521	2.8
163.11316	4.9
165.12866	2.9
169.06287	0.7
175.01860	1.5
176.02109	0.9
179.04312	0.7
179.05806	2.6
179.06975	0.6
181.12248	0.7
191.10869	1.6
199.13420	4.0
209.11839	100.0
210.08850	1.2
210.12204	4.1
221.06723	1.1
223.13741	0.6
227.12897	31.6
228.13286	1.0
235.08273	4.9
253.09282	2.1
255.03027	1.0
271.02594	1.2
272.08856	2.0
283.02521	0.7
285.04028	0.8
287.07809	1.2
300.02823	2.4
301.03235	0.8
304.06094	9.5
305.09036	1.0
306.07614	4.7
307.07892	2.8
313.03555	0.6
338.04803	1.1
397.13525	31.5
398.13861	2.5
415.14578	18.2
416.14737	0.9
545.03558	1.0
563.13904	0.9
625.13647	1.0
625.26990	5.3
626.27283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61575	0.5
52.29231	0.5
55.01873	0.6
57.03449	1.3
58.00580	0.6
59.01103	1.1
59.01381	20.4
61.98845	4.0
69.03447	1.5
71.01385	16.7
71.59499	0.8
72.99313	1.1
73.02940	2.3
81.03471	0.7
83.01378	1.9
85.02951	3.5
87.00877	3.4
89.02453	13.4
95.01367	0.8
96.95995	2.0
97.02941	2.5
101.02449	11.3
111.00914	0.6
111.08161	0.8
111.83319	0.5
113.02459	5.2
119.03497	3.7
122.78385	0.5
125.02474	2.6
130.94913	0.5
131.03532	0.8
143.03525	1.6
161.04597	1.3
165.12845	9.0
179.05569	1.3
183.13901	67.2
184.14207	2.7
185.04433	0.6
209.11755	2.3
221.06609	1.4
227.12854	9.8
235.08228	2.4
285.03900	0.8
296.20554	0.6
327.16083	0.8
397.13501	7.8
415.14554	5.4
521.31604	0.7
607.26282	1.1
625.27130	100.0
626.27454	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.9
58.00606	0.7
59.01385	19.2
61.98830	5.0
69.03455	0.8
69.72362	3.4
71.01385	16.6
71.50774	0.6
72.99300	1.5
73.02947	1.9
75.00896	0.7
80.96506	0.9
83.01386	1.7
85.02958	3.6
87.00882	2.8
89.02450	11.5
95.01392	1.5
96.96022	3.6
97.02953	1.6
97.06569	0.6
99.00875	1.3
101.02459	10.6
103.00440	0.8
111.08181	1.6
113.02456	5.8
115.00387	2.6
115.16612	0.6
119.03509	3.5
121.02979	0.9
122.06116	0.8
125.02457	2.7
133.01433	2.8
133.02965	1.2
134.03725	0.7
143.03510	1.0
161.04556	1.8
165.12868	9.4
174.04124	1.0
179.05602	1.6
183.13911	73.5
184.14256	3.2
189.83310	0.8
209.11784	1.6
214.04466	0.7
221.06633	1.5
227.12909	14.1
228.13194	0.7
232.09758	0.6
235.08174	1.9
241.04993	0.8
253.09235	0.7
255.03084	1.0
263.07892	1.0
284.03278	1.0
285.04059	2.8
285.12518	0.8
341.76547	0.6
382.26230	0.9
397.13538	7.1
415.14578	4.4
431.09979	0.9
466.18842	3.4
510.17841	1.2
625.27112	100.0
626.27362	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	625.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03435	0.7
58.00579	1.3
58.02946	0.5
59.01101	0.8
59.01385	15.9
61.98831	4.0
64.16508	0.5
67.72424	0.4
69.03450	0.7
71.01389	13.4
71.59963	0.7
72.99301	1.1
73.02955	2.5
74.02470	1.4
79.21526	0.5
79.95728	1.0
80.02682	1.2
81.03467	2.5
83.01379	1.8
83.05030	5.7
84.02170	1.1
85.02960	4.0
86.02491	0.9
87.00896	3.1
89.02451	14.4
91.92012	0.5
93.03487	0.8
95.01389	1.1
95.05029	1.4
96.96034	6.0
97.02962	2.3
97.04052	0.6
99.00894	1.0
99.05653	0.8
101.02451	12.8
105.99683	0.8
113.02466	5.7
115.00356	1.1
119.03517	4.0
125.02456	4.9
125.06012	0.6
126.95313	0.9
128.03542	5.8
131.03535	0.9
133.01451	1.0
135.05682	0.7
135.08234	0.8
141.01901	0.6
142.99815	0.5
143.03516	2.1
143.04637	3.9
144.04922	0.6
146.04587	0.5
149.04546	0.5
149.15051	0.5
160.00772	1.5
161.04587	3.2
163.11308	4.8
165.12889	3.2
167.03452	0.7
175.01825	0.9
176.02127	1.1
177.03326	0.5
179.05753	3.5
181.12315	1.3
183.13959	0.7
185.01341	0.5
191.10710	1.1
197.05861	0.5
199.13390	4.3
209.11838	100.0
210.08913	0.8
210.12216	4.1
221.06693	1.3
227.12904	32.4
228.13239	1.4
229.14494	0.5
235.08224	5.3
245.06697	0.7
245.13850	0.7
253.09151	1.3
254.07686	0.7
255.03036	1.3
271.02390	1.2
272.08896	1.7
273.09305	0.8
273.34122	0.5
283.02505	0.7
285.04050	1.2
300.02820	2.0
301.03366	1.3
304.06116	10.3
305.08929	1.1
306.07703	4.5
307.08008	2.5
397.13495	33.7
398.13660	2.5
415.14606	20.1
416.15088	1.8
463.08838	0.9
545.03064	1.0
563.14532	0.6
625.13892	1.4
625.27234	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	625.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22020	1.4
61.98823	4.5
69.39531	4.7
69.39951	5.6
96.96036	2.2
126.35382	1.4
134.06082	2.2
174.95438	1.3
193.17120	1.5
213.10419	5.3
213.20251	1.4
299.14258	2.1
392.10706	1.4
398.15045	1.6
433.13284	3.9
434.13297	2.1
447.14615	3.8
448.15366	8.4
449.16211	6.0
461.11969	1.6
463.17865	17.6
464.18378	3.9
471.09363	1.5
477.19974	2.8
478.19989	2.5
479.20853	11.9
480.20996	2.8
491.17218	24.4
492.17407	3.2
505.18799	4.0
506.19785	5.0
520.21301	2.8
523.20093	3.4
538.22235	18.1
539.22888	6.5
593.24121	8.7
625.26703	100.0
626.27081	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	625.267
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.05463	0.5
52.88149	0.6
61.98824	1.3
65.98384	0.6
70.74099	1.4
73.02964	0.7
78.31113	0.6
84.72254	0.6
86.10368	0.6
88.82040	0.6
91.57464	0.6
93.19303	0.7
98.20513	0.8
113.86710	0.6
134.06149	2.2
213.10345	11.1
215.11920	1.0
249.36540	0.6
255.50731	0.6
256.00311	0.6
259.54758	0.7
297.12512	0.8
299.14008	2.7
325.11731	0.9
327.10193	0.9
328.10724	1.5
342.12421	1.0
346.11899	0.9
356.09589	0.8
385.14410	1.6
398.15326	0.9
405.14026	1.1
406.14960	0.8
418.10696	1.2
421.17319	1.1
432.12259	1.5
433.12936	4.6
434.13742	2.6
435.13702	0.7
435.19012	1.1
439.21365	1.3
447.14612	4.5
448.15408	10.5
449.16031	7.0
450.16589	1.5
463.17783	22.8
464.18195	2.6
465.19287	1.5
475.14438	1.6
477.19287	2.5
478.20126	2.7
479.20886	16.4
480.21277	2.4
490.16858	1.1
491.11533	0.5
491.17249	31.2
492.17377	2.9
505.18646	5.0
506.19400	7.3
507.20398	4.4
519.20355	1.8
520.21216	2.2
523.19891	2.3
538.22223	33.5
539.22949	10.0
540.23749	0.8
593.24017	10.2
594.24475	1.1
625.26715	100.0
626.27039	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	623.162
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
57.51393	0.9
57.97558	2.8
59.01369	3.0
66.87532	1.0
69.55024	2.4
69.55434	5.3
71.01381	4.1
83.01385	1.1
84.26628	1.2
89.02457	1.9
96.95988	1.6
98.20621	2.3
107.01382	1.2
115.00373	3.9
133.01456	5.9
143.04680	1.2
151.00372	4.5
163.00351	1.5
165.84656	1.1
184.05251	2.3
200.04662	1.5
202.02516	1.2
207.10298	1.2
209.48940	1.0
211.04070	1.4
214.02687	3.2
216.04236	1.2
225.11279	2.6
226.02675	1.0
227.03497	2.7
229.01248	1.1
241.01505	1.6
242.02240	18.6
243.02989	9.4
243.06517	1.3
244.03732	1.0
245.00885	5.5
254.02269	1.1
255.03001	3.4
256.03772	1.2
257.04568	1.6
270.01706	32.9
271.02444	13.3
272.03207	3.4
283.09811	1.5
285.04074	14.1
286.04663	2.1
298.01144	8.3
299.01984	10.4
300.02756	20.9
301.03265	1.6
313.03546	100.0
314.04202	16.2
315.05121	71.0
316.05396	3.8
445.07880	5.4
447.09872	1.3
460.03677	1.6
460.10165	24.1
461.10895	62.6
462.11499	4.8
477.10394	66.0
478.10727	5.3
623.16162	60.3
624.17108	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	621.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48884	0.6
52.99945	0.5
61.98832	4.5
70.40232	2.0
72.66205	0.6
74.46655	0.5
78.95893	0.8
98.20649	0.5
125.96367	0.6
152.99583	0.7
431.14804	1.0
445.16837	2.5
446.17459	2.7
448.96323	0.6
459.21777	2.4
460.18896	7.2
461.19763	25.0
462.20358	2.8
462.26083	0.6
474.20627	2.0
475.21378	3.5
478.01474	0.7
519.20392	14.2
519.27625	1.1
520.20764	2.4
533.22278	0.9
534.22247	0.7
535.23767	0.9
621.27179	100.0
622.27515	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38328	1.3
52.65541	1.1
53.10350	1.3
57.03433	2.7
59.01382	97.5
61.98830	3.8
62.73455	1.3
63.68246	1.2
69.03458	1.7
70.12769	4.9
71.01386	22.6
72.99296	1.8
73.02950	6.9
74.33427	1.5
79.95699	1.6
83.01375	2.2
85.02951	8.6
85.87761	1.3
87.00865	3.6
88.98843	1.4
89.02439	9.6
96.96022	18.4
97.06567	2.0
99.00868	2.9
101.02457	14.8
103.00397	1.8
113.02432	9.4
115.00369	2.4
116.05083	1.7
119.03488	5.2
123.08157	1.5
125.02315	1.3
125.09794	1.4
128.03520	3.1
136.04047	5.1
143.03517	2.3
145.06209	2.7
161.04559	4.2
167.10802	1.8
179.05583	2.1
179.14401	1.6
188.07205	1.3
195.13905	3.1
205.12431	3.4
223.13388	24.0
235.08255	1.7
262.08786	2.9
263.09439	2.5
270.07709	6.8
277.21515	1.5
278.11823	13.5
279.12317	1.5
285.20685	3.0
325.23944	2.8
326.14453	1.3
349.26120	1.3
355.24866	4.0
373.25946	37.9
374.26358	3.1
397.13516	18.0
415.14722	7.2
432.13089	2.1
439.26776	3.1
457.28058	4.9
475.29282	1.9
517.29755	1.6
535.21991	10.7
535.30664	3.5
577.23724	4.4
577.32233	100.0
578.32788	10.7
580.00360	1.3
621.21545	4.2
621.31787	6.8
622.29230	2.2
643.47308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
67.94360	1.8
68.83067	1.9
70.41936	1.8
78.95897	3.1
80.59824	1.7
86.40502	1.7
149.89632	1.8
314.49582	2.3
350.79480	2.0
352.90329	2.7
376.68918	2.0
391.87271	1.9
494.92035	2.1
517.11774	2.1
544.83569	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50150	2.1
65.68147	2.0
68.69759	2.1
69.29036	18.4
71.01383	14.4
73.61703	2.0
85.24700	1.9
88.11452	2.3
115.00407	15.1
119.05032	44.0
133.01431	28.4
133.02968	3.0
135.59033	2.3
161.02432	8.7
163.04013	100.0
164.04326	3.4
177.01924	3.0
179.03516	4.0
279.05133	6.4
309.35715	2.4
335.71002	2.6
343.08627	2.5
586.64587	2.2
613.42474	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33040	5.9
69.34122	8.5
69.34533	43.7
71.01382	36.9
82.83564	4.9
83.85271	5.3
84.94550	5.2
100.38416	5.0
111.04430	5.0
115.00373	33.3
119.05009	45.2
133.01431	77.4
133.02919	10.9
146.33905	4.7
163.04002	100.0
165.00078	20.1
167.01740	14.9
179.03502	6.0
208.46767	5.3
208.99123	13.8
211.00626	9.9
229.70184	4.9
291.04776	4.8
301.05087	7.7
307.41321	5.4
371.02054	8.7
381.60983	5.0
404.25238	4.7
627.40961	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	619.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48005	1.5
61.98838	12.4
69.85149	6.8
78.95909	12.2
120.60072	1.6
138.24344	1.7
138.62943	2.0
148.84360	1.6
152.99591	9.3
160.79787	1.9
232.76793	2.2
255.23260	5.6
365.13965	2.1
383.14441	3.8
401.13974	1.8
415.16141	2.5
416.16382	10.0
430.18289	2.8
431.18692	2.1
444.15353	2.2
459.18274	100.0
460.18726	9.1
473.19724	14.8
474.20547	5.9
479.30502	1.9
501.19131	2.9
503.17453	2.5
517.19373	3.3
518.19641	45.3
519.19855	3.5
532.21069	6.3
533.21930	81.4
534.22406	9.1
587.23022	5.6
619.25714	64.3
619.35590	3.3
620.26190	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	620.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58537	0.5
58.02969	1.9
59.01362	1.5
61.98821	1.4
68.44341	0.5
70.05283	2.4
71.01369	0.7
72.00905	2.7
73.04074	2.4
74.02480	0.7
79.50610	0.6
80.96524	0.9
82.06627	0.8
87.75659	0.5
91.05518	1.2
91.71149	0.6
96.96026	6.1
99.05648	2.3
103.00332	0.7
112.07756	0.8
115.98047	0.6
116.92838	0.9
122.24210	0.6
129.10349	11.7
130.08725	1.2
136.07658	0.8
139.08772	3.5
141.06720	1.1
141.10332	1.1
146.89284	0.5
147.04535	9.5
147.05788	0.9
151.07719	0.5
151.08736	3.4
164.07175	12.7
164.08525	0.7
165.10243	0.8
168.11400	4.5
169.09804	3.9
177.10411	0.9
178.08681	1.3
185.17766	0.6
186.12477	16.5
187.12718	0.7
189.07022	1.6
191.11884	0.8
194.12996	1.3
195.11417	1.2
196.10876	0.8
210.12405	0.7
212.14056	2.1
213.14420	0.7
233.16574	4.1
236.14067	1.2
242.13425	1.2
243.11687	0.6
254.14960	1.1
259.14481	0.9
260.14423	3.5
269.16174	0.8
277.15564	2.3
281.19812	5.0
284.14386	7.4
290.18704	3.8
302.15442	6.0
317.16583	0.9
334.17853	0.8
359.17352	1.1
403.27048	2.0
429.67831	0.7
442.66824	0.7
535.22473	3.9
576.32788	0.7
577.22870	3.0
585.28223	0.7
620.31219	100.0
621.22272	2.5
621.31525	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	617.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98825	2.6
69.90566	2.0
69.90958	2.0
70.00494	0.8
78.95902	3.5
98.20513	1.8
99.36317	1.0
104.04551	1.0
148.05312	17.6
152.99559	4.7
163.07671	16.5
164.07948	1.6
209.12068	1.1
249.18668	2.4
381.13095	3.0
429.46030	1.0
507.96478	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2564
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.24024	1.0
54.83503	0.9
61.98832	6.9
85.34780	0.9
86.07233	1.0
92.26687	1.1
96.43572	1.0
115.17844	1.3
136.40681	1.1
150.33545	1.0
229.64938	1.2
385.88892	1.1
401.13876	2.1
415.15533	4.0
416.16263	12.7
430.17966	3.0
431.18536	1.5
444.15714	2.2
459.18283	98.3
460.18704	11.3
473.19720	15.4
474.20300	5.9
500.17136	1.1
501.19131	1.2
503.17395	3.4
518.11554	2.0
518.19568	48.9
519.19958	5.9
532.21045	8.6
533.21979	100.0
534.22241	12.8
587.23029	8.9
619.25574	76.9
620.26074	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	617.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.5
59.01382	6.7
60.13443	0.4
60.53365	0.5
61.98829	1.0
68.73409	0.6
68.99824	0.6
69.03461	0.7
69.35941	3.6
71.01389	20.6
72.46218	0.4
72.99323	2.4
73.02947	0.6
75.00879	7.7
80.02680	1.3
80.47904	0.5
85.02960	10.8
87.00876	4.1
89.02457	3.8
95.01390	2.3
96.96014	1.6
99.00880	5.2
99.04498	2.8
101.02426	0.7
103.00393	1.0
113.01688	1.1
113.02458	14.9
115.00381	17.3
116.84295	0.6
117.01955	1.5
118.18319	0.5
121.06612	1.5
127.05158	0.9
128.03590	0.6
129.01947	1.1
133.01445	20.1
134.03764	0.7
134.04720	1.1
145.06175	1.7
152.04761	0.7
157.01469	0.7
160.02646	1.1
162.87288	0.5
166.77725	0.6
175.02455	1.4
189.12880	6.2
196.67632	0.6
205.07083	0.9
207.05054	0.6
207.13937	3.8
222.99513	0.6
239.70261	0.5
249.06183	6.6
251.12848	4.3
267.07214	19.0
325.16553	1.7
436.63629	0.6
439.19702	2.0
467.89124	0.5
483.18570	1.5
501.19803	100.0
502.20255	9.0
511.22574	0.5
598.01532	0.6
617.20599	0.7
617.30640	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35702	1.5
54.11337	1.4
58.40355	1.4
59.01379	3.7
59.22773	1.4
69.03446	3.2
71.01393	3.4
71.60717	2.3
83.05029	2.7
85.06589	6.2
85.70301	1.9
87.00888	5.6
88.52520	1.8
96.96013	2.9
97.06606	4.5
111.00903	2.5
113.02479	1.6
115.00386	85.1
116.05047	7.9
123.08202	3.3
134.62041	1.4
139.00414	3.5
139.11302	100.0
140.11646	3.3
142.06619	13.7
156.00627	7.6
157.01430	9.4
175.02516	14.6
180.70108	1.6
183.10272	62.1
183.84682	1.3
184.10541	3.4
186.05623	13.3
199.61949	1.7
214.08731	2.9
242.08260	23.8
243.08533	1.8
244.06218	20.1
256.06250	2.2
286.07007	2.3
297.97385	1.9
304.08408	1.9
373.12100	3.2
441.03760	1.7
464.56866	1.5
553.19598	1.7
617.31665	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41933	0.8
54.98390	0.8
69.91722	4.6
71.01388	12.7
72.99318	0.9
96.96005	4.4
115.00378	10.3
119.05033	41.7
133.01437	28.5
135.04530	2.9
163.04013	100.0
164.04369	3.2
179.03543	2.6
279.05112	5.4
282.93344	1.0
335.07901	1.9
352.98041	0.8
361.76764	1.1
376.86932	0.9
615.23358	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	615.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48634	0.7
59.01379	2.6
61.21569	0.8
61.98831	3.0
70.91245	1.3
71.01385	38.5
71.89165	0.8
72.99309	2.3
96.96029	1.2
110.53813	0.7
113.02335	0.8
115.00380	54.2
116.05063	6.4
121.02987	0.7
133.01437	63.4
133.75604	0.8
134.01765	1.0
135.04556	0.8
142.06627	2.5
151.99387	5.8
167.01733	11.7
183.10228	1.0
206.18523	0.9
211.13356	1.8
212.13838	1.0
217.42619	0.9
244.07762	0.8
246.09196	3.1
262.08734	32.9
263.09500	42.2
264.09854	3.1
278.11865	100.0
279.12265	6.0
289.11172	0.8
303.90305	0.8
322.10861	13.2
356.09644	90.3
357.09985	7.4
472.10049	1.6
491.20667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63716	0.5
57.07925	0.4
58.02990	5.9
59.01377	0.9
61.98814	1.6
66.03485	0.5
68.83134	0.4
70.02972	1.0
70.24378	0.4
71.01396	1.0
71.60564	0.6
72.00900	0.7
74.02478	12.0
81.04583	0.7
82.02998	1.2
83.13735	0.4
84.04560	1.0
85.02920	0.5
85.04062	0.4
86.02489	4.2
86.99100	1.3
87.05634	2.6
90.00201	1.3
96.96014	1.3
97.04063	1.1
99.05659	11.3
101.07207	2.0
102.05616	1.5
107.06172	0.7
109.04070	1.8
111.05617	0.8
112.04047	1.7
113.03539	0.6
116.01730	0.7
123.05627	1.7
125.03565	1.1
127.05124	2.6
128.03545	29.7
129.03864	0.5
131.04634	0.9
135.05643	4.0
137.07207	1.1
141.06737	2.4
143.04634	38.0
144.01224	0.6
145.06174	2.0
146.04587	3.9
149.07126	0.6
153.06754	2.9
160.00739	12.1
166.09830	1.5
167.04645	2.5
167.08293	1.3
170.03177	0.6
177.03358	3.5
179.03183	0.7
179.04631	8.2
181.06221	1.0
184.10823	0.8
185.05698	1.6
190.02917	0.5
197.05707	1.2
197.11775	0.9
198.08725	0.8
210.08827	7.9
213.03397	0.9
228.09908	0.7
242.07790	1.2
254.07841	11.5
255.08040	0.8
272.08887	20.9
272.11887	1.0
273.09436	0.7
288.06567	7.7
306.07657	100.0
307.07983	3.8
401.06107	0.5
563.51825	0.6
614.28717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94433	3.1
69.34229	27.3
70.33588	2.8
71.01391	15.5
82.70827	2.7
91.56555	3.3
94.07931	3.2
100.06824	2.8
115.00362	5.8
119.04988	3.1
134.03743	46.9
149.06042	6.0
163.03989	3.9
193.05060	100.0
194.05440	5.1
271.31824	3.0
285.03998	6.1
303.64545	3.4
309.06161	5.8
330.01614	2.9
358.70538	3.6
410.45926	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	614.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	4.7
59.01366	1.4
60.85553	0.6
61.98842	3.8
66.03493	0.7
70.02975	0.7
71.01366	1.5
71.59927	0.8
72.00914	1.1
74.02477	12.8
74.99070	0.6
82.02990	1.8
84.04534	0.7
85.02950	1.1
86.02475	5.2
86.06148	0.7
86.99110	1.5
87.05648	3.5
90.00166	1.3
95.83430	0.6
96.96018	1.9
97.04057	2.0
99.05647	10.2
101.07211	1.7
102.05611	1.1
102.97513	0.5
107.06136	0.6
109.04078	1.7
109.07733	0.8
111.05632	0.9
112.04062	1.9
113.03604	0.6
116.01765	1.0
123.05616	1.2
124.04030	1.0
125.03558	1.9
127.05143	3.1
128.03548	30.1
129.03749	0.7
129.73985	0.6
131.04597	0.7
135.04649	1.2
135.05643	3.2
137.07193	0.9
141.06705	2.2
143.04630	42.6
144.04977	0.8
145.06186	2.0
146.04568	4.3
146.33810	0.7
149.07240	0.6
153.06694	3.3
160.00735	12.5
166.09856	2.2
167.04623	3.4
167.08241	1.9
170.03366	0.6
171.10214	0.7
173.37238	0.6
177.03371	4.9
179.03201	0.7
179.04640	8.2
181.06242	1.2
185.05644	1.7
186.06023	0.5
192.07785	0.9
195.12132	0.7
197.05675	1.0
197.11699	0.7
209.11752	0.7
210.08858	9.4
211.09042	0.6
225.97467	0.6
242.07832	0.7
254.07823	12.4
272.08881	22.8
273.09180	0.7
285.12601	0.6
288.06628	9.7
306.07654	100.0
307.07932	3.8
571.24719	1.0
614.27167	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	613.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76762	1.1
69.48754	10.1
83.01405	1.5
98.19860	1.3
109.99625	1.2
110.99915	1.1
111.29335	1.1
135.04576	1.2
161.02446	1.2
169.06630	2.2
177.96902	1.2
189.05597	1.6
211.03896	2.0
213.05486	2.2
215.03436	1.3
227.03488	2.8
241.87996	1.2
255.03018	28.7
256.03394	2.8
257.04477	2.4
283.02496	70.4
284.03189	8.9
285.04059	100.0
286.04294	7.0
392.53751	1.5
427.81995	1.5
430.09155	14.1
431.09805	36.2
432.10281	2.6
445.97406	1.4
577.15649	89.7
578.15784	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	613.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00431	0.8
55.28215	0.8
59.01382	9.2
61.98840	4.8
69.03441	1.0
70.57024	3.0
71.01385	6.5
73.02951	1.3
83.05031	3.4
83.19046	0.9
85.02962	2.3
87.00896	1.4
89.02468	4.5
96.95979	2.3
101.02435	5.7
107.05038	2.3
111.08126	1.1
113.02476	2.4
119.03493	1.2
161.04605	1.8
181.12292	1.5
183.10268	18.1
183.13837	2.3
185.11775	1.9
187.64566	1.2
211.13400	31.2
212.13678	1.2
221.15532	1.2
239.16426	4.5
247.17081	1.4
251.16504	1.2
253.09357	5.7
265.18039	3.3
275.16235	1.1
285.22119	1.1
287.23788	1.7
289.25626	1.1
297.22202	3.8
305.24634	4.9
313.21762	3.6
315.23172	7.6
323.20340	1.6
331.22742	4.4
333.24326	9.5
334.24808	1.1
341.21378	6.6
349.23602	1.5
359.22250	18.3
360.22522	1.7
377.23355	33.1
378.23666	2.9
424.94351	1.0
447.22296	1.8
579.29736	1.6
595.31445	1.9
613.32306	100.0
614.32458	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2513
Annotation	Karajinone B
Peak:m/z	Relative Intensity
53.41979	2.5
59.01377	10.8
61.44479	2.7
61.98829	6.4
69.03466	2.5
90.59666	2.5
103.16618	3.0
122.06099	10.7
131.13466	2.4
134.06114	4.8
138.13101	2.4
160.06412	5.5
213.10362	29.7
215.11914	19.4
226.11092	3.4
239.11964	21.9
241.13443	21.5
267.11313	4.6
285.12460	100.0
286.12756	6.7
325.12009	4.8
449.15985	4.6
463.17929	6.4
464.18188	4.5
467.24533	4.1
478.19952	3.7
479.20868	9.7
491.24515	7.3
493.22577	30.5
494.23547	4.1
535.23547	70.9
536.23737	7.5
537.21277	3.7
538.21948	16.3
579.22461	20.4
611.24719	20.4
636.08154	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	613.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75060	0.6
54.39296	0.6
70.11877	2.7
71.01386	19.2
72.99306	3.9
89.02462	1.8
94.79811	0.7
96.96003	0.9
107.05030	0.7
112.98552	1.5
115.00378	47.8
115.14748	0.6
116.00733	0.8
128.55347	0.7
133.01437	100.0
134.01758	2.2
134.03749	17.4
135.04532	71.4
136.04860	2.9
136.98553	8.3
137.02472	1.0
154.99648	7.1
161.02451	10.0
175.02538	2.0
179.03503	64.2
180.03865	3.0
189.01701	13.2
201.01706	82.9
202.02042	2.4
218.04320	0.7
219.01494	1.5
252.99724	1.5
271.00769	1.6
273.03915	11.0
277.61288	0.7
289.01880	2.2
295.04590	4.2
296.04938	0.8
317.02768	74.5
318.03293	3.8
335.03833	3.4
345.04578	1.5
389.03741	0.9
422.44180	0.8
433.03818	2.2
451.04840	4.8
613.07629	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46687	2.8
71.01384	11.8
71.59103	3.7
105.03468	7.0
108.02151	8.4
115.00394	40.1
128.03650	4.0
133.01443	100.0
133.02939	31.6
134.01768	3.4
134.03743	4.5
135.04523	26.6
143.04597	3.1
150.04135	3.6
152.01184	3.1
161.02396	2.5
175.02515	3.4
177.01886	20.0
179.03499	32.7
199.36411	2.6
201.01669	9.5
240.69231	2.5
272.08844	4.2
278.18384	2.8
295.04544	4.8
306.07690	10.5
314.57538	2.6
315.07028	5.3
317.02777	11.1
379.03424	2.8
475.30338	2.9
584.11224	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98867	23.2
66.02116	11.2
71.60085	15.5
78.95940	12.6
85.12923	12.3
98.55920	11.8
120.19244	12.1
141.40424	10.7
221.51331	13.6
271.02582	15.7
279.23322	100.0
391.49979	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	611.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	17.7
69.47297	100.0
75.52377	13.4
77.85689	13.6
78.95917	28.4
82.22081	13.4
152.99596	21.7
163.19720	15.1
462.90131	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	609.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09958	2.3
57.03438	5.6
59.01384	100.0
61.98837	12.7
69.03447	3.8
69.49465	6.3
69.49890	10.3
71.01388	50.5
72.99309	3.8
73.02945	8.6
79.95742	10.0
83.01375	6.3
85.02509	2.3
85.02956	15.6
87.00877	8.1
89.02451	20.4
95.01406	3.8
95.95222	8.3
96.96017	62.7
97.02961	4.1
99.00875	4.5
101.02454	29.1
103.00361	7.7
113.02428	15.0
115.00356	7.1
119.03497	5.0
125.02441	5.6
129.01907	2.5
133.01419	3.3
153.03169	2.1
157.48523	2.1
161.04526	5.6
164.98659	3.8
179.10851	2.0
183.13875	6.1
209.11736	4.0
211.11420	4.8
211.13393	76.2
212.13618	3.0
225.00613	3.7
227.03888	2.6
235.08141	2.9
253.09283	3.2
256.99954	2.6
271.02512	7.7
285.04120	3.7
298.50497	2.3
299.01913	11.7
301.03537	5.4
310.10538	2.3
313.23749	9.0
331.24936	19.8
361.29477	5.9
397.13470	33.8
415.14456	13.3
447.08987	3.1
493.30215	87.5
494.30518	7.8
505.33856	76.6
506.34091	8.1
523.18176	8.9
523.34735	26.6
565.19751	35.5
565.35724	6.5
566.19684	3.0
609.15686	10.1
609.29602	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	609.313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13041	0.6
55.01867	0.9
57.03439	0.7
59.01379	16.9
61.98829	0.7
69.37432	5.0
71.01385	18.7
72.99313	1.4
73.02950	1.7
74.75616	0.5
75.00853	0.7
79.95740	0.9
83.01371	1.6
85.02955	4.6
87.00889	1.9
89.02447	7.4
93.10734	0.6
95.01392	0.7
95.95242	1.7
96.96005	4.7
97.94813	1.6
98.20599	0.9
98.95615	1.1
100.48417	0.6
101.02456	8.1
113.02459	3.8
115.00379	8.0
119.03513	2.3
125.02454	1.2
127.11311	1.5
133.01404	1.1
134.08859	0.6
143.03485	0.9
145.54787	0.6
154.87381	0.5
155.10817	0.8
157.12332	0.8
161.04588	1.0
171.10211	1.4
183.13918	1.5
183.15530	0.6
211.13399	21.1
212.13750	0.8
222.82779	0.5
227.03520	0.6
235.08173	1.2
246.11188	0.6
253.09529	0.7
271.02466	2.3
295.22922	1.1
299.01987	3.3
301.03555	1.2
311.22528	0.7
313.23840	11.1
329.23193	1.6
331.24878	23.1
332.25229	1.9
361.29822	0.8
397.13483	10.2
415.14697	4.7
446.08673	1.3
447.09442	0.7
473.05762	0.6
493.30194	100.0
494.30432	8.9
505.33752	2.9
508.41898	0.6
523.34796	0.9
565.19275	1.0
609.14185	3.2
609.31042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90200	2.4
52.38890	2.7
57.03433	2.8
59.01381	71.8
59.53334	2.7
61.98825	7.1
71.01388	23.7
72.99309	3.4
73.02936	5.2
74.16037	2.8
79.95738	4.0
83.01405	5.4
85.02972	10.5
87.00861	4.1
88.98803	4.0
89.02454	8.2
95.01426	2.9
95.95228	10.9
96.96011	21.1
97.04737	2.7
101.02441	14.9
113.02449	8.8
115.00389	10.2
116.92864	5.7
133.01433	4.3
148.07475	2.4
150.93787	3.1
211.13399	10.2
271.02454	10.7
299.01929	16.1
301.03613	9.9
313.23798	3.6
331.24924	9.5
338.25702	2.7
361.29584	8.4
397.13495	9.2
415.14908	4.8
446.08420	6.1
447.09076	6.1
493.22131	4.0
493.30139	53.1
494.30109	5.3
505.33838	100.0
506.34317	8.6
523.34802	20.6
565.35748	5.8
609.01453	4.0
609.14636	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	609.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03439	0.8
57.85745	0.3
58.00597	0.9
59.01385	14.6
59.39918	0.3
61.98822	1.3
64.41598	0.3
69.03457	0.4
69.35003	1.3
69.35428	2.1
71.01389	18.9
72.99314	1.0
73.02943	1.4
78.37215	0.4
78.95907	0.6
79.95721	0.6
83.01376	1.5
85.02953	3.6
87.00881	1.3
89.02449	6.3
95.01374	1.0
95.95242	1.1
96.96024	4.0
97.94814	0.8
98.95599	1.0
98.96418	0.4
99.00845	0.6
101.02457	8.1
113.02454	4.3
115.00388	8.1
119.03498	2.6
125.02443	1.2
125.09756	0.4
127.11319	1.4
131.03499	0.4
133.01372	1.2
143.03517	0.4
154.11476	0.4
155.10789	0.9
157.12311	0.8
161.04561	0.6
171.10271	2.1
179.05597	0.8
183.13841	1.6
185.24721	0.3
193.12215	0.4
211.13393	16.2
212.13763	0.7
235.08125	0.8
235.81055	0.4
253.09421	0.5
255.02884	0.9
258.30914	0.4
266.10883	0.3
271.02509	2.2
285.04105	0.6
287.08023	0.5
295.22794	1.9
299.02005	3.6
300.02194	0.5
301.03497	1.3
313.23856	10.5
314.24121	0.7
329.23331	2.5
331.24908	25.6
332.25104	2.1
397.13510	8.6
398.13934	0.4
415.14606	4.0
446.08456	0.8
447.09088	0.5
463.08704	0.6
475.29437	0.9
493.30200	100.0
494.30548	9.7
505.33655	3.1
523.34863	0.5
565.19250	1.1
609.13892	3.0
609.30823	1.0
610.14423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91678	0.4
69.74959	1.2
69.75375	1.7
82.17114	0.4
91.26192	0.5
96.45033	0.4
98.19877	0.9
107.01413	1.1
109.02978	1.1
129.60553	0.4
132.44907	0.5
133.02980	0.6
151.00385	5.4
159.04529	0.7
163.00391	1.1
171.04538	1.0
175.04097	0.7
178.99889	0.7
190.99969	0.6
199.04033	2.3
201.01889	0.9
201.05550	0.9
211.03990	1.0
215.03473	2.0
226.02736	1.2
227.03479	3.3
229.04951	1.3
243.02965	4.9
255.02946	2.7
271.02484	55.1
272.02890	3.2
273.04031	0.6
277.47437	0.6
299.01974	100.0
300.02582	12.2
301.03537	34.3
302.03860	1.9
446.08542	28.3
447.09286	19.8
448.09601	1.3
463.08884	10.8
464.09308	1.0
609.14612	63.9
610.14941	6.6
637.96844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68837	0.5
63.02439	0.6
65.00345	1.0
67.65612	0.6
69.33398	5.1
69.33716	0.9
75.68527	0.5
83.01408	1.0
98.20686	0.8
107.01404	0.9
109.02946	1.1
121.02965	0.7
135.00917	0.8
151.00380	5.7
159.04506	0.7
163.00340	1.1
171.04535	0.7
175.04005	0.8
178.99913	1.2
183.04492	0.8
185.06140	0.9
187.03999	0.9
199.02376	0.6
199.03975	3.7
201.01941	1.0
201.05539	0.7
211.04039	1.4
215.03563	2.5
226.02904	0.8
227.03491	2.9
229.05028	1.3
243.02951	5.3
255.03047	5.4
271.02472	64.2
272.02747	3.8
298.30548	0.6
299.01974	100.0
300.02612	11.5
301.03525	38.3
302.03967	2.1
446.02216	1.1
446.08530	31.4
447.09290	31.9
448.09564	1.6
463.08813	12.3
464.08942	0.8
540.11639	0.6
609.14612	89.1
610.15045	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	609.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58489	0.9
59.01383	4.6
70.80246	1.1
70.80592	1.9
71.01382	6.2
74.99074	2.3
78.64522	0.8
79.95747	13.4
80.96529	1.7
85.02913	1.4
87.00864	0.9
89.02442	5.2
95.95236	37.8
96.96014	100.0
101.02418	2.8
113.02428	2.3
115.00342	1.8
129.01921	2.0
133.01375	0.9
134.04697	1.4
145.03108	1.0
145.85477	0.8
151.00389	0.9
163.03928	1.4
165.01859	0.9
177.01950	1.8
179.05569	1.2
193.04950	1.4
205.04347	1.5
221.06584	2.9
239.97510	0.8
245.41331	0.8
255.02992	2.4
271.02408	1.5
283.02365	3.2
285.03934	2.3
287.64093	0.9
298.70233	0.9
299.01938	3.2
301.03622	1.1
335.26437	0.8
383.72418	0.9
447.09424	2.3
470.50119	0.8
505.53162	0.9
609.10504	52.8
610.10980	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	3.7
63.96221	1.2
71.01390	5.3
71.59859	1.4
73.02924	1.1
74.99093	3.2
78.24158	0.9
78.95900	2.1
79.95740	11.9
80.96487	2.0
85.02932	1.1
87.00882	2.0
89.02438	3.3
95.95240	39.6
96.96019	100.0
101.02424	2.2
102.50420	1.1
107.03641	1.1
113.02425	2.1
115.00265	1.2
127.92463	1.3
133.01410	2.1
134.03781	1.5
134.04706	8.1
141.43123	1.0
163.04059	2.1
193.05002	2.0
221.06577	2.2
255.02911	1.6
283.02426	3.1
284.03308	1.2
285.03934	2.2
299.01895	2.0
437.04239	1.6
447.09045	2.8
470.64597	1.2
609.10516	50.8
610.10938	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	609.1446
Annotation	LMPK12111730
Peak:m/z	Relative Intensity
55.47725	0.7
59.01371	0.7
63.02415	1.0
65.00327	0.8
69.48424	4.7
83.01402	0.8
93.03475	0.8
96.96028	1.1
98.19884	1.5
101.02417	0.8
102.05598	0.7
107.01450	1.0
115.00379	2.0
117.03467	0.7
125.02465	1.1
127.05172	1.3
128.03557	1.4
133.01410	2.5
133.02986	1.1
134.03801	0.7
135.04526	0.8
136.01566	1.1
145.06203	7.2
146.04607	1.7
151.00366	4.9
151.03995	0.7
159.04475	0.8
163.03995	1.2
169.06612	0.8
179.03491	0.8
183.04477	3.2
185.02550	0.7
185.06064	1.3
187.04013	0.9
201.05614	0.8
211.03993	3.5
227.03487	13.4
229.05125	0.9
243.03041	0.8
255.02983	57.8
256.03540	4.9
257.04605	1.2
271.02505	10.2
272.02991	0.9
283.02481	98.9
284.03186	28.5
285.04041	57.1
286.04407	2.8
297.04013	2.0
299.01990	20.2
300.02573	2.7
301.03568	8.2
326.04202	1.2
327.05087	2.0
331.06845	0.8
446.02240	0.7
446.08548	20.5
447.09326	100.0
448.09653	9.0
459.09131	1.0
463.08765	2.8
489.10410	9.3
490.11090	1.0
531.11401	1.2
609.14575	55.9
610.14771	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	607.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.5
59.01382	79.7
61.98820	5.4
69.84760	2.4
71.01385	26.4
71.05011	3.7
71.60916	4.1
73.02953	6.8
77.26269	3.0
79.95772	3.3
83.01373	7.1
85.02962	13.5
85.28439	2.9
89.02448	7.1
89.67020	2.9
96.96004	11.1
99.00896	5.4
100.59925	3.1
101.02446	15.7
113.02450	14.6
115.00374	4.3
125.56914	2.8
131.80649	3.0
145.06223	3.6
161.04527	4.8
163.41220	3.2
265.71344	3.2
294.36749	3.0
319.17392	3.9
324.16656	3.1
341.27075	4.8
359.27936	6.6
503.32260	100.0
504.32324	8.6
521.33447	26.6
607.36713	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.1
59.01382	68.0
64.38107	1.4
66.12294	1.6
69.32655	8.2
69.33078	4.7
71.01382	15.7
73.02957	5.4
83.01393	4.7
85.02960	10.4
89.02444	2.0
89.58467	1.5
91.49715	1.4
94.03778	1.5
95.01386	1.6
96.96037	2.9
97.02928	1.8
99.00910	2.3
101.02451	9.9
112.01705	1.4
113.02473	7.4
126.14603	1.5
137.09724	1.7
143.03522	2.1
155.10794	5.4
164.20406	1.5
201.14909	3.7
230.15256	2.3
251.25508	1.5
359.27991	11.0
425.35159	1.6
433.27844	2.9
491.28870	2.3
503.32303	100.0
504.32895	7.3
521.33325	28.7
522.33447	2.8
545.33466	1.9
563.34589	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	607.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	93.5
61.98830	5.5
69.98055	4.3
71.01394	8.0
72.05721	1.1
73.02937	3.3
78.61707	0.9
82.65559	1.0
83.01385	1.8
85.02953	4.0
89.02479	1.8
94.73541	0.9
96.96009	3.4
97.76554	1.2
98.19821	1.2
99.00901	1.6
101.02460	5.6
106.90541	1.0
113.02465	3.8
119.03487	1.0
144.04314	1.1
161.04585	1.0
164.64511	1.0
206.99438	1.0
299.26010	2.2
306.93353	1.0
345.21658	1.1
443.30011	2.6
461.31378	2.8
487.31134	1.3
503.32309	1.3
521.33344	1.9
563.34357	100.0
564.34570	12.8
569.85101	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01795	0.4
50.44269	0.4
57.59323	0.5
58.02978	4.4
58.35092	0.4
66.03520	0.4
70.02995	0.6
71.59816	0.5
71.88957	0.4
72.00911	1.2
74.02482	11.5
75.00850	0.7
81.04571	0.8
82.02988	0.9
84.04584	0.6
86.02484	4.4
86.06089	0.6
86.99097	0.8
87.00836	0.4
87.05621	2.5
90.00191	1.0
93.03455	0.7
97.04074	0.8
99.05652	8.7
100.86947	0.5
101.07191	1.7
102.05601	1.3
107.01402	1.0
107.06161	0.7
109.02911	0.6
109.04086	1.5
111.05640	0.9
112.04039	0.9
115.00366	1.5
116.01760	0.7
120.01223	0.9
123.05665	1.2
124.04063	0.4
125.03606	1.1
127.05125	2.9
127.83285	0.5
128.03545	27.1
129.99663	0.5
130.09491	0.5
131.04590	0.8
133.01425	3.2
135.00964	0.6
135.05649	2.5
137.07225	0.7
141.06699	2.4
143.04631	37.6
144.04947	0.6
145.06210	2.0
146.04605	3.8
149.07291	0.5
151.00375	2.6
153.06697	2.6
155.08301	0.6
160.00737	9.9
163.00354	0.6
166.09889	1.9
167.04643	2.7
167.08273	1.4
170.03270	0.6
171.04480	0.6
177.03397	4.5
179.04614	7.0
181.06107	1.6
183.04611	0.5
184.10873	0.9
185.05803	1.9
187.04042	1.2
192.07771	0.9
197.05724	1.6
199.04042	0.7
209.11844	1.4
210.08826	7.6
211.03987	1.3
213.03427	0.6
213.05513	0.6
215.03526	0.6
227.03497	16.9
229.05133	2.7
242.07687	1.0
243.02977	0.9
254.07808	10.5
255.02982	20.3
256.03787	1.3
257.04584	2.3
271.02515	7.5
272.08911	17.5
272.11896	0.8
284.03271	17.5
284.06442	0.9
285.04047	32.4
288.06631	6.7
299.01999	12.7
300.02731	1.0
301.03546	11.3
306.07660	100.0
307.07999	3.9
327.04938	0.7
330.13623	0.7
445.07639	1.5
446.08633	3.8
447.09250	6.8
591.13519	7.6
608.25262	2.7
609.14563	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	607.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
59.01590	0.4
69.29469	3.4
69.81709	0.3
73.02880	0.4
76.15205	0.3
76.70715	0.3
81.70351	0.4
89.02422	0.6
96.96002	1.9
98.20585	0.7
115.00385	2.8
117.03418	1.3
119.04944	0.5
123.04528	0.4
133.01436	4.9
133.02902	0.7
134.03699	0.7
135.04532	0.7
145.02010	0.4
145.02940	4.3
147.50389	0.4
151.00351	0.6
161.01253	0.4
161.02423	2.3
174.85350	0.3
195.19229	0.3
212.08466	0.7
227.03526	0.7
227.10690	0.5
228.11574	0.5
255.02980	8.6
256.03543	1.6
269.11942	0.4
283.02457	1.7
284.03256	46.0
285.03717	3.8
287.12927	0.5
297.04092	1.1
298.04745	0.8
299.05603	100.0
300.05966	6.2
313.10913	0.7
331.11914	2.5
375.10822	1.5
411.89728	0.4
461.16696	0.9
563.18488	0.5
607.17865	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	607.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05920	1.4
68.76838	1.3
71.01389	2.7
71.33739	1.6
71.92780	1.4
96.00986	1.5
96.96027	1.5
119.19005	1.2
133.01443	3.0
151.00397	4.5
200.04749	2.3
204.76247	1.3
212.04857	1.5
214.02710	2.4
227.03482	1.5
241.01514	2.0
241.76114	1.4
242.02228	12.3
243.02922	4.8
243.06491	1.5
244.03647	2.1
245.00967	2.7
247.07977	1.4
255.03116	1.8
260.42117	1.5
270.01703	23.9
271.02454	8.7
272.03061	2.5
285.04095	12.9
286.04456	1.7
298.01193	6.0
299.01886	6.0
300.02740	19.9
313.03574	67.4
314.04312	7.0
315.05109	77.3
316.05499	4.2
328.00638	1.4
445.07959	3.7
460.10092	19.1
461.10904	100.0
462.11398	9.4
477.98630	1.9
534.49951	1.8
593.00226	1.5
607.16748	36.4
608.16956	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	606.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79406	1.0
55.94943	1.1
57.56569	0.8
60.99031	1.6
60.99314	16.4
61.41851	0.9
61.98822	1.6
71.60356	1.6
78.95913	3.8
88.00407	3.7
88.98812	100.0
89.02450	10.1
116.61993	1.0
139.06752	0.9
152.99603	1.5
228.65804	1.0
231.43810	0.9
262.87817	1.0
277.21783	3.2
295.83191	0.9
338.79572	1.0
431.21866	1.3
442.28265	1.0
502.29218	1.8
542.86975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64300	0.6
58.82307	0.5
60.99311	13.9
61.98824	0.9
70.13126	2.3
70.42165	0.5
77.71349	0.5
78.95904	15.2
81.90960	0.5
87.00866	1.4
88.00406	2.8
88.98811	100.0
89.02451	9.1
89.99106	0.7
96.96954	2.4
98.20610	0.6
109.26493	0.5
115.61888	0.5
123.15174	0.6
124.53069	0.5
134.04745	1.6
145.56335	0.5
145.94563	0.5
152.99591	1.2
171.10207	0.5
174.03151	0.5
231.38142	0.5
277.21664	2.5
346.05588	6.7
374.30197	0.6
431.21957	1.0
458.24207	0.6
606.27234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3856
Annotation	Roseocardin
Peak:m/z	Relative Intensity
57.03438	2.0
58.00579	5.6
59.01383	100.0
61.98816	4.4
69.84905	1.7
71.01388	70.8
71.30270	4.3
72.04543	4.4
72.99326	9.4
73.02925	3.9
78.43885	1.7
78.95901	22.8
83.01398	4.6
85.02946	11.1
87.00859	6.9
89.02449	92.1
90.81300	1.9
95.01360	4.7
99.04511	2.7
101.02451	47.8
105.24540	1.9
113.02451	30.2
115.92106	4.3
116.92859	2.2
119.03509	50.3
131.03511	3.9
131.07153	1.9
143.03514	9.1
149.04547	3.5
152.99631	12.2
161.04559	7.0
179.05621	29.4
179.89243	4.1
180.89998	2.1
189.47153	1.8
196.89417	4.4
223.20659	2.6
225.22240	29.5
244.03331	1.8
253.21773	4.8
255.23183	2.7
271.22870	9.4
277.21689	17.9
311.01361	2.3
313.03720	3.1
326.26999	84.5
327.27411	5.1
344.88446	2.1
402.94489	2.5
426.32449	14.7
444.33194	5.3
476.32422	2.0
505.25784	15.3
579.26361	9.3
606.18158	6.1
606.38617	65.3
607.38385	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	606.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
71.60385	2.0
78.95906	2.8
107.60614	1.2
116.38593	1.4
152.99615	2.0
158.48711	1.2
252.39552	1.3
358.63864	1.4
531.23920	2.4
583.61261	1.4
607.26288	1.4
613.91125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	94.9
61.98829	5.0
69.75713	10.3
70.14237	2.1
70.40974	1.9
71.01378	12.7
71.79839	1.8
73.02946	3.4
76.99142	2.1
80.58514	1.7
85.02952	4.4
89.02441	2.1
89.15085	1.9
96.96002	7.5
101.02452	8.3
113.02437	4.4
131.03737	4.2
199.04031	2.6
239.03493	2.6
267.02884	3.3
269.04532	5.3
283.02457	3.4
296.03253	4.0
297.03973	10.2
321.03983	1.8
324.60669	2.1
350.85764	1.8
441.28357	2.6
443.09955	3.6
444.11011	3.2
456.59222	2.0
459.09399	7.3
490.31009	2.1
519.31451	3.1
561.32813	100.0
562.33392	11.7
605.34595	2.9
606.16345	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40864	2.6
55.01873	4.1
55.81056	2.1
57.03462	3.4
58.00600	3.0
59.01093	4.8
59.01384	84.3
60.21585	2.1
60.47900	2.3
61.98837	12.0
67.60412	2.1
71.01386	49.7
71.60679	3.6
71.82995	2.3
73.02950	26.3
79.95751	3.7
83.01398	6.1
83.05088	2.8
85.02949	10.4
89.02462	12.9
95.01385	2.4
96.96002	15.9
99.00880	3.0
101.02454	25.5
102.52769	2.4
113.02487	11.0
115.00363	16.0
116.92881	4.2
119.03513	4.0
119.04963	2.2
127.05183	3.3
128.03531	2.8
133.01466	3.1
145.06186	2.8
156.71724	2.7
161.02591	2.4
161.04564	2.4
171.10287	3.8
223.17055	15.5
250.12030	2.3
252.07307	3.3
327.25354	14.8
339.25256	11.4
355.24780	3.4
357.26437	100.0
358.26746	7.5
385.22302	5.1
403.23373	19.2
445.24423	96.8
446.24911	9.4
491.24863	3.1
505.88681	2.5
519.31610	5.3
561.32843	40.5
562.33148	4.3
605.37695	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	605.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77165	2.2
59.01383	91.6
61.38468	1.7
61.98831	10.9
67.40422	1.9
67.83641	2.2
69.92489	1.8
71.01387	7.9
71.61150	3.2
73.02946	2.6
74.41312	2.1
83.35039	1.9
85.02963	6.6
86.00082	2.2
88.98809	3.4
89.02471	1.9
96.96023	7.4
99.00802	2.7
99.92599	2.2
101.02426	6.4
113.02444	5.1
115.92067	2.8
116.05046	3.1
116.92863	11.3
133.01442	2.7
191.25610	2.3
236.03044	2.5
356.36874	2.4
357.26434	4.8
377.08502	2.3
428.67346	2.6
453.03305	2.2
501.30139	3.1
519.31793	4.4
561.32825	100.0
562.33105	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	605.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66010	0.7
54.03684	0.9
57.67302	0.7
61.98825	0.9
71.60577	1.1
77.91589	0.7
108.58060	0.7
151.17256	0.7
190.78104	0.7
191.59045	0.8
210.87370	0.8
214.08034	0.8
264.26376	0.8
427.19040	0.9
430.18048	1.7
457.20679	2.1
459.17963	3.4
470.21378	1.1
471.18323	1.2
473.19836	4.1
485.19125	1.1
485.24365	1.6
486.20908	3.8
499.17792	2.2
501.23029	2.4
511.21649	2.7
513.19312	2.7
514.20050	9.2
518.19336	1.7
529.22455	100.0
530.22815	11.9
532.21332	1.7
533.21655	1.9
573.21973	1.0
605.23895	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2774
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
52.34046	1.9
52.98945	1.9
59.78794	2.0
60.98586	2.2
61.98823	2.3
70.67438	6.3
129.04189	2.1
171.83800	2.3
175.25807	2.0
203.19556	2.1
280.68509	2.2
383.14014	2.1
430.17892	9.0
445.20349	100.0
446.20935	10.9
459.21915	21.4
460.22385	7.8
473.19958	2.8
504.21680	68.9
505.21732	8.1
518.23260	16.1
519.24011	94.3
520.24609	9.6
573.24506	4.0
605.27661	61.4
606.28174	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	605.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.9
57.03435	2.5
59.01383	71.6
61.98804	1.4
64.23425	1.2
69.03457	2.0
69.33794	10.9
71.01392	24.3
72.99345	1.4
73.02951	7.1
73.54027	1.4
83.01399	4.8
85.02963	14.9
86.00127	1.3
87.00868	2.7
89.02473	3.0
95.01417	2.4
95.95242	4.2
96.96017	7.6
97.44154	1.2
99.00893	3.6
101.02457	17.0
109.68222	1.3
111.00879	2.7
113.02470	9.2
115.00342	3.3
116.92873	1.8
119.05103	1.4
125.02510	1.6
133.01407	2.1
139.11281	1.9
143.03442	2.5
145.06213	1.6
157.12311	3.1
159.30380	1.2
161.04514	3.4
171.10352	1.6
199.13416	2.2
202.98412	1.3
219.07123	1.5
309.20779	2.2
330.16861	2.2
348.17969	3.7
357.26605	6.4
429.24390	1.9
465.28070	1.5
483.29645	5.4
489.27039	9.0
501.30716	100.0
502.31012	9.4
519.31750	27.7
520.31958	3.4
545.29688	7.2
546.29852	1.8
561.33234	2.0
563.30493	5.5
568.90881	1.5
605.28986	2.0
606.12622	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98838	1.2
66.88420	0.7
78.95905	1.5
84.20794	0.6
177.97050	0.7
190.18758	0.7
229.61447	1.0
277.21747	3.7
291.23364	1.7
310.80182	0.8
327.26019	0.7
331.89478	0.7
476.98245	0.8
519.44672	0.7
603.20648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98745	0.9
59.01101	0.9
59.01385	13.3
61.98833	100.0
69.03468	1.1
69.57363	5.6
71.01382	13.0
71.05024	2.3
79.95750	1.5
96.96024	5.6
113.02462	1.0
121.02957	4.4
127.36314	0.9
203.39351	0.9
221.08176	5.3
255.47272	0.8
256.99448	0.9
288.22903	1.1
291.08853	4.2
381.11896	6.2
423.12833	3.4
519.22455	1.2
519.54370	1.1
604.31689	1.1
605.23090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53790	0.5
59.01390	11.2
59.86967	0.5
61.98835	100.0
69.03465	1.2
70.50887	1.1
70.51264	1.2
71.01385	10.7
71.05022	2.6
82.52054	0.5
85.02973	0.8
96.96037	3.8
101.38644	0.6
104.60341	0.5
113.02503	0.9
115.00370	1.0
116.92854	1.5
121.02961	5.1
133.01479	0.6
134.03822	0.5
135.04536	0.8
137.55135	0.6
177.09253	0.7
221.08215	5.1
233.10365	0.6
291.08685	2.9
381.11993	5.8
382.12170	0.7
423.12933	6.6
519.23010	1.7
561.24036	0.8
604.31268	0.8
605.22699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20958	2.9
66.72875	2.9
66.75722	2.8
67.62549	3.3
69.82446	12.1
69.82857	6.7
71.01398	15.6
71.10246	2.8
74.55617	2.6
79.03825	2.9
115.00368	23.6
116.09882	3.0
122.44282	3.0
133.01442	100.0
134.03749	38.1
135.04556	23.1
149.06131	5.5
178.53746	2.8
179.03497	23.6
180.06195	3.0
193.05069	69.7
201.28200	3.5
257.68179	2.7
288.94485	3.0
295.04770	3.6
297.50012	3.1
384.88458	3.4
442.00519	3.5
456.12793	3.3
460.17441	3.1
487.00604	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	605.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07631	2.7
60.33517	2.7
71.01391	20.4
88.03223	2.9
115.00383	38.8
118.51284	3.4
133.01434	100.0
134.03757	39.0
135.04532	41.2
149.06104	4.8
178.02718	4.6
179.03497	29.5
193.05081	64.3
194.05431	3.9
285.04114	4.7
346.07184	3.1
373.09106	7.2
515.57269	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	605.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.0
71.01392	16.8
74.63313	1.1
89.02466	3.9
93.03465	20.8
96.99300	1.9
108.02193	1.5
109.02980	1.4
113.02448	2.2
115.00380	17.7
117.03469	2.8
119.03517	2.6
119.05047	10.8
123.04536	1.8
131.05064	3.7
133.01440	19.7
133.02985	4.4
134.03738	6.1
135.04530	18.9
137.02457	1.5
143.05052	15.4
145.02968	9.8
145.06677	1.6
147.04559	2.0
159.04500	2.1
161.06017	1.8
163.04002	11.8
179.03499	17.9
193.05052	8.3
210.06776	3.1
211.07648	33.8
211.41280	1.4
212.07961	2.0
223.07672	8.7
235.07695	3.2
237.09149	13.2
239.10603	1.5
253.08650	2.9
263.07297	1.4
265.08731	28.9
266.09109	1.5
277.08554	1.6
283.09668	4.9
285.11414	6.5
309.07672	10.7
325.10422	2.4
327.08743	100.0
328.09018	6.8
329.10309	1.7
369.09753	11.1
373.09238	8.0
399.10648	2.8
429.11880	9.4
450.24448	1.3
463.72119	1.4
489.14676	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	605.2407
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
61.98826	0.5
67.30244	0.3
71.31407	0.7
80.05025	0.3
83.30669	0.3
106.06614	0.5
152.43025	0.3
160.44226	0.3
183.14235	0.3
215.77960	0.3
295.85080	0.3
310.34906	0.3
328.10843	0.3
412.17499	0.3
415.15585	0.6
416.16220	0.6
429.17148	0.9
430.17914	1.1
443.19122	0.7
444.18338	0.4
457.20728	2.1
458.21716	0.6
459.17810	2.3
461.23413	0.6
470.20981	0.5
471.18243	1.2
472.18814	1.0
473.19666	4.5
474.20514	0.9
475.21466	0.7
478.03265	0.4
485.18686	1.8
485.24768	0.5
486.20984	3.4
487.21396	1.1
496.19080	0.9
499.17615	2.0
500.17999	0.6
501.22653	2.5
503.21249	0.5
511.21356	2.4
513.19324	2.8
514.20117	7.9
515.20477	1.3
517.19019	1.0
518.19482	1.5
528.21521	0.7
528.66113	0.4
529.22467	100.0
530.22797	13.1
532.21167	1.5
533.21912	1.7
534.21912	0.4
546.22498	0.3
561.25293	1.1
573.21637	1.1
605.24225	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35530	6.7
60.62919	6.6
71.49650	12.3
73.20718	6.9
78.95900	18.2
84.16453	8.1
87.00888	13.3
88.00391	20.9
88.04024	8.5
88.95954	8.0
88.98820	95.9
89.02449	100.0
96.96023	37.2
109.78551	6.8
137.13260	7.2
152.99586	7.8
161.02446	20.3
208.30214	7.7
277.21664	41.0
335.92511	6.3
403.48160	7.2
593.34430	7.4
603.19971	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	603.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	22.4
71.59554	18.5
80.17383	13.1
112.50208	12.6
115.00386	22.5
119.05016	34.2
133.01436	100.0
163.03990	56.0
229.28233	15.1
245.78107	13.9
323.13403	31.7
369.92227	14.9
459.44464	12.7
550.38196	14.8
597.90460	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.7
60.99305	20.2
67.22250	1.9
75.41995	2.1
78.95901	5.1
87.00909	5.4
88.00427	13.0
88.04050	8.2
88.98814	100.0
89.02452	82.6
96.96014	12.6
103.39645	2.1
151.03827	2.8
152.99710	2.5
229.60368	2.3
273.25275	2.3
411.24564	2.4
563.44281	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84668	0.7
55.01882	3.5
57.03448	3.4
58.00603	1.9
59.01383	100.0
60.01725	1.3
61.98833	0.9
69.03481	1.6
69.85933	2.6
71.01388	59.1
72.99318	2.9
73.02952	13.8
75.00858	0.9
81.03463	0.9
83.01384	7.1
83.05056	0.7
85.02956	27.6
86.00106	0.8
87.00896	3.0
89.02449	17.4
95.01404	6.2
96.96030	2.3
97.02966	2.0
99.00903	6.1
101.02451	31.1
111.00914	2.3
113.02457	29.3
119.03509	7.9
124.01721	2.2
125.02461	4.6
127.05124	1.1
128.03566	0.9
129.01971	2.7
131.03513	0.8
133.01445	0.8
142.02798	0.6
143.03513	6.7
145.06216	3.3
159.02974	3.3
161.04579	12.3
161.05859	1.0
179.05672	2.1
280.47250	0.7
289.18604	0.7
307.19415	1.5
381.22775	5.1
399.23886	11.5
400.24551	0.9
460.16910	0.9
469.24423	0.9
487.25467	2.4
507.25839	0.8
543.28119	83.9
544.28381	8.4
561.29193	73.5
562.29584	8.1
603.31183	6.1
604.31848	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	601.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.9
59.70300	2.4
60.14645	2.4
61.98822	8.1
62.58457	2.8
67.69913	2.6
70.57184	7.7
71.01392	39.8
72.99323	2.4
76.04456	2.6
79.95754	4.8
83.70330	2.6
83.71456	2.6
96.95448	3.3
96.96021	46.2
103.00365	5.7
107.17365	2.6
109.02949	17.1
109.04054	3.4
115.00386	54.4
116.05067	91.2
117.05383	3.5
127.05137	8.8
128.03526	6.7
131.81606	2.3
133.01451	57.7
134.06107	3.4
135.04472	2.6
143.04660	3.0
145.06200	35.1
147.04549	13.7
154.06613	10.5
156.86459	2.5
171.10274	6.2
182.08118	2.8
241.00252	3.1
264.10321	100.0
265.10577	3.5
272.08960	3.3
273.92081	2.6
308.09308	99.0
309.09500	8.0
319.13007	3.7
362.18509	5.4
400.11249	2.6
424.10519	13.8
434.14844	2.6
515.19269	25.1
516.20111	3.3
517.89893	2.7
539.31628	13.3
557.20660	13.9
600.27325	3.3
601.19592	5.8
601.30066	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73825	2.6
59.01384	8.9
61.98837	4.0
65.07601	2.5
71.01389	36.1
71.91196	2.7
72.99312	3.2
83.24172	2.4
89.02448	3.3
96.96009	25.4
98.19775	5.3
109.02934	16.3
115.00372	57.7
116.05077	89.1
116.05905	4.9
117.05431	3.9
127.05177	4.2
128.03545	6.3
133.01434	55.8
143.04610	6.6
145.06204	13.2
146.04642	3.3
147.04491	17.9
154.06615	11.5
171.10295	4.1
182.08463	2.8
229.62376	3.2
264.10297	91.0
265.10516	5.0
272.08847	5.1
306.07739	5.2
308.09293	100.0
319.13214	3.2
402.05664	3.3
402.55460	2.7
424.10385	12.2
428.31522	2.9
501.75925	3.0
515.19678	14.4
539.31439	4.6
557.20612	6.0
601.19574	3.8
601.29889	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	600.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	15.5
60.76917	1.1
61.98819	1.4
66.03487	1.8
70.08548	4.0
72.00920	2.4
74.02475	32.6
79.14597	1.0
81.04576	2.5
82.02981	5.0
84.04541	2.3
86.02475	12.9
86.06148	1.5
87.05650	7.5
95.77204	1.1
96.95975	1.1
97.04086	3.9
98.19843	1.2
99.05643	26.6
101.07198	4.8
102.05620	7.0
107.06174	2.9
109.04079	5.1
111.05656	3.2
112.04044	4.0
123.05653	2.0
124.04048	2.1
124.07662	1.3
125.03584	5.8
126.04400	1.2
127.05111	5.1
128.03548	79.7
129.03905	1.3
135.05646	10.6
137.07240	1.5
139.05182	2.0
141.06705	4.4
143.04628	97.4
144.04924	1.7
145.05118	1.1
145.06189	4.6
146.04610	9.1
153.06673	6.0
155.08281	1.8
166.09839	4.3
167.04671	5.7
167.08276	7.3
170.03360	1.6
171.04141	2.0
179.04628	30.5
181.06175	2.7
184.11008	1.7
185.05640	3.5
192.07825	4.9
197.05757	6.0
210.08850	29.0
211.09041	1.0
228.09933	1.8
254.07820	60.7
255.08076	1.9
272.08887	88.0
273.09225	2.8
293.21213	5.8
327.20050	12.2
396.61664	1.2
404.89185	1.1
471.25330	12.7
559.84650	1.3
559.94696	1.4
582.28503	15.0
583.28864	1.2
600.29651	100.0
601.29926	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	598.36
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13636	4.0
61.98832	100.0
69.33262	45.8
81.90047	4.9
124.02220	4.9
144.29361	4.6
145.49455	4.9
160.78030	4.2
167.17455	4.8
180.68442	5.3
209.43849	5.0
502.08585	5.3
524.87909	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	599.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53038	0.6
69.22493	0.5
69.99997	0.7
70.00336	2.4
71.01386	27.6
90.64404	0.6
108.02196	1.0
109.02961	0.8
115.00384	36.3
116.05070	100.0
117.05410	2.6
133.01482	3.1
134.02806	0.5
134.03731	2.9
135.04549	7.9
145.03018	0.7
146.03775	1.1
149.06065	3.2
154.06636	10.7
161.06108	1.6
166.06635	1.6
245.10776	3.2
255.09300	2.1
256.10101	0.9
257.10834	2.6
259.12268	0.6
260.07269	0.8
271.12378	1.0
274.08780	9.0
275.09561	9.9
276.10101	0.9
290.11914	8.4
291.12308	0.6
407.17661	98.2
408.18073	9.0
415.13550	0.6
451.16614	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	600.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	2.1
59.01399	0.9
61.98820	2.5
69.82158	0.7
71.01379	18.9
71.59838	1.0
72.99310	4.3
74.02477	5.8
77.35658	0.7
82.02978	1.2
86.02493	1.8
89.02463	2.4
96.96014	3.5
97.04083	1.1
99.05658	3.8
101.00956	0.9
101.07251	0.9
107.05009	0.9
112.03975	0.7
115.00377	54.8
119.05037	1.2
123.05694	0.9
125.03569	1.1
125.45629	0.8
127.05177	0.8
128.03543	18.0
129.03853	1.0
133.01437	100.0
133.03035	3.2
134.01767	1.3
135.04498	1.4
136.49718	0.8
137.00662	3.8
139.02269	5.4
140.83041	0.7
141.06696	1.3
143.04626	24.3
145.06181	1.3
146.04590	2.6
153.06667	1.3
159.83279	0.7
160.01666	3.4
163.04053	2.5
163.99463	1.2
165.00150	6.0
165.21196	0.7
167.01724	87.7
167.08238	1.6
168.02042	1.7
175.02394	0.9
179.04729	4.9
185.05722	1.3
192.99637	36.3
210.08881	5.3
211.00717	33.2
212.00854	1.0
254.07816	11.7
268.02829	1.0
272.08878	84.2
273.09192	2.4
306.07294	1.0
327.01776	4.1
379.05984	1.7
440.11227	7.2
441.11700	1.0
466.09320	7.9
484.10574	3.0
600.11481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38873	0.3
58.02694	0.5
58.02977	7.2
59.01377	1.8
59.02893	0.4
61.98848	2.0
64.20817	0.4
66.03487	1.0
67.02423	0.4
69.43396	3.0
70.02984	0.7
71.01382	1.6
72.00918	1.2
74.02477	18.9
79.95732	0.5
81.04574	1.0
82.02989	2.0
83.02520	0.4
84.04526	0.8
85.02942	0.7
85.32697	0.4
86.02484	6.2
86.06118	0.9
86.99106	2.1
87.05648	3.4
88.04020	0.5
90.00191	1.5
95.02541	0.5
95.06949	0.4
96.96013	4.9
97.04082	1.8
99.05648	13.9
100.04060	0.5
101.02401	0.6
101.07238	2.3
102.05627	2.5
107.06166	0.6
108.04584	0.4
109.04098	2.5
109.07718	1.2
111.05636	1.7
112.04041	2.0
113.03586	0.5
113.07219	0.6
116.01804	0.9
120.01234	0.6
123.05654	1.1
124.04057	1.0
125.03616	2.0
126.01993	0.5
127.05167	2.4
128.03551	40.9
129.03835	0.7
129.34424	0.5
131.04623	0.4
133.01456	0.5
135.05637	4.1
137.07237	0.8
141.06702	3.8
143.04633	55.0
144.01218	0.8
144.04945	1.3
145.06198	3.2
146.04572	5.5
149.07265	0.5
153.06682	3.5
160.00748	15.9
161.01073	0.5
166.09866	2.9
167.04636	4.4
167.08275	2.7
170.03383	1.0
171.04065	0.8
171.07771	0.8
171.12984	0.4
175.09473	0.4
177.01939	0.5
177.03401	6.8
179.04630	14.0
181.06160	1.6
184.10957	0.6
185.05739	2.6
192.07808	1.1
197.05634	2.1
198.08824	0.8
210.08847	11.8
211.13582	0.5
228.09879	0.7
231.04495	0.7
236.06859	0.5
242.07730	0.8
244.29391	0.4
254.07838	19.7
272.08893	32.7
273.09189	1.0
288.06586	10.9
289.06918	0.7
291.19650	0.9
306.07672	100.0
307.07916	3.8
340.99268	0.4
469.23492	0.6
513.23877	0.5
555.25543	0.8
580.27063	0.8
598.28070	10.2
599.27325	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	597.3046
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
53.83918	0.7
59.01370	1.0
59.09508	0.7
60.96358	0.7
61.98807	0.8
66.66505	0.6
69.54901	2.4
69.55318	2.9
74.28228	0.7
78.95908	62.8
86.45594	0.7
91.12225	0.7
96.96967	11.6
98.20647	1.4
113.97401	0.7
150.98009	1.2
152.99594	89.8
171.00580	1.4
221.59097	0.8
223.00107	9.3
241.01193	24.3
281.24863	70.8
282.25195	4.3
292.63190	0.7
315.04880	17.7
326.66440	0.7
333.05777	1.6
386.47012	0.7
597.30463	100.0
598.30859	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	597.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98208	0.5
59.01375	1.1
61.98831	2.5
70.03687	2.4
71.01371	1.5
73.02946	0.5
81.02975	0.8
81.03459	12.3
83.05029	40.7
84.05346	0.9
95.05077	0.5
95.95084	0.4
96.95991	1.8
100.07694	4.3
101.02422	0.8
105.03408	0.6
110.09429	0.4
115.00369	1.5
119.05029	0.7
126.05580	0.7
127.03996	0.8
127.11220	0.5
133.01431	1.8
133.02956	6.3
134.03740	1.4
135.04517	1.2
137.02419	0.7
139.03966	0.5
145.02959	2.0
161.02435	2.1
166.25215	0.4
177.01884	4.2
178.02679	3.2
179.03430	1.4
181.08685	0.8
182.15506	0.6
183.10233	0.5
199.13403	2.3
199.18167	6.8
207.14958	0.8
224.17619	0.6
225.16086	8.8
243.17130	18.0
244.17494	1.1
255.03027	1.3
259.09744	0.7
269.14993	1.5
275.09262	0.7
284.03326	1.0
285.03995	4.1
286.04327	0.7
287.09363	0.8
309.21866	1.4
335.19965	0.6
353.20883	6.5
397.13504	1.2
451.32990	2.5
463.20023	0.7
469.33905	13.7
470.34183	1.1
495.31332	0.7
496.05038	0.5
511.18216	0.6
524.14032	0.8
579.30280	0.6
579.37531	2.6
580.37262	0.7
597.38696	100.0
598.39026	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	598.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03826	2.1
58.02981	14.7
58.05831	1.9
59.01379	2.8
60.42107	2.2
61.98845	5.6
71.01373	3.4
72.00900	3.1
72.97562	2.7
74.02474	24.5
75.46826	2.3
82.02979	3.9
82.16790	2.5
83.00005	2.1
86.02480	11.7
87.05634	3.6
91.03323	2.4
92.97485	2.2
96.96008	3.0
97.04092	2.5
99.05656	23.4
100.00352	2.2
101.07234	2.9
102.05643	3.7
109.04090	3.5
111.05684	2.4
112.04082	2.0
115.00431	2.4
116.05017	2.1
125.03579	3.8
127.05119	5.6
128.03551	76.4
135.05646	8.9
137.07228	2.2
137.97578	2.4
141.06680	5.4
143.04628	89.4
145.06200	5.2
146.04620	10.9
153.06680	3.4
166.09860	3.2
167.08273	4.1
170.03334	5.1
179.04639	24.1
181.06258	3.1
184.10895	2.3
185.05711	3.4
197.05681	2.5
210.08815	19.3
228.09811	2.8
254.07825	50.9
255.08202	2.4
256.11346	3.0
269.35297	2.3
272.08865	100.0
273.09088	4.9
306.07751	12.5
325.18527	7.0
469.23917	5.5
526.83447	2.2
580.26691	4.5
598.28137	33.0
599.29242	7.4
613.19519	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	595.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95200	0.6
61.99845	0.8
69.90498	0.7
70.35680	2.6
78.95909	64.7
81.73704	0.7
82.42821	0.7
96.96975	13.1
104.20338	0.8
150.98080	1.1
152.99596	89.8
171.00621	3.2
223.00134	9.7
225.10121	0.8
241.01195	23.7
259.02151	1.6
279.23291	64.8
280.23563	3.7
309.61246	0.9
315.04886	16.5
352.00629	0.8
514.04425	0.8
595.28906	100.0
596.29303	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	595.2888
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
68.61398	0.7
76.19043	0.7
78.95906	67.6
96.96965	12.0
98.19901	1.6
135.55765	0.8
149.65538	0.8
150.98030	0.8
152.99596	100.0
153.99902	1.3
171.00684	2.3
199.79831	0.8
223.00151	10.6
241.01186	25.2
241.03522	1.7
242.01355	1.0
259.02231	1.6
261.01794	0.9
279.23297	66.9
280.23660	4.7
290.49240	0.7
315.04852	15.9
333.05963	1.1
442.07703	0.8
487.17935	0.9
595.28888	98.7
596.29150	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	595.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
61.98815	1.7
78.95907	67.2
96.96973	13.0
99.35730	0.6
138.51952	0.6
150.98038	0.9
152.99594	59.6
223.00113	1.7
230.68590	0.6
236.75278	0.6
241.01199	33.0
246.36678	0.7
259.02219	0.8
261.22134	0.7
279.23303	63.9
280.23618	3.1
315.04871	9.4
408.61844	0.6
415.22559	6.3
433.23331	1.3
537.18402	0.8
550.91382	0.9
595.28912	100.0
596.29364	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01518	0.6
67.56017	0.5
67.70649	0.6
69.30522	1.3
69.30927	5.1
70.50314	0.6
78.95909	70.3
96.96976	11.3
98.20554	1.3
150.98007	1.9
152.99605	100.0
153.99881	0.7
171.00688	2.0
186.09956	0.7
223.00137	10.0
228.35168	0.7
241.01192	23.8
259.02328	1.0
275.20175	1.0
277.21725	44.5
278.22076	3.5
315.04877	18.4
316.05215	0.9
333.05859	1.2
373.86780	0.6
447.63992	0.6
461.90936	0.8
500.83887	0.8
593.27338	82.5
594.27606	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	593.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95409	2.0
54.59930	2.0
57.03464	2.4
59.01384	100.0
61.98827	3.0
69.82929	2.1
69.83233	12.2
71.01397	12.0
73.02931	4.6
75.36911	2.2
83.01379	4.4
85.02955	9.4
85.33563	2.2
90.35441	2.0
96.96025	6.0
99.00861	3.1
101.02419	7.6
113.02444	9.6
133.19728	2.2
161.04514	2.5
179.10785	4.3
185.15747	2.3
189.77867	2.1
255.02910	3.2
283.02502	9.6
285.04059	3.8
304.14349	2.2
341.09338	2.3
345.30106	7.6
381.01962	2.8
393.14777	2.2
447.08875	4.3
452.59177	2.2
457.66052	2.5
489.34387	68.9
490.34515	6.3
507.35419	26.9
593.15118	3.5
593.29651	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92276	0.7
51.94770	0.6
59.01390	0.7
68.60574	0.7
70.08485	3.0
78.95908	66.0
96.96970	14.2
98.19987	0.7
130.11273	0.7
150.98007	0.9
152.99596	55.7
167.82156	0.7
168.62907	0.6
171.00638	0.9
223.00153	1.4
241.01199	32.4
242.01706	0.7
244.89972	0.7
274.36481	0.6
277.21741	47.4
278.22113	4.0
315.04874	10.9
333.06070	0.7
413.20883	7.8
416.84256	0.8
431.22214	1.5
593.27325	100.0
594.27704	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	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65670	0.7
53.00459	0.7
59.01363	0.7
67.07640	0.7
78.21510	0.7
78.95906	68.4
96.96964	12.0
149.80682	0.8
150.98041	0.9
152.99594	100.0
153.99873	1.0
171.00647	2.9
223.00113	10.7
238.81079	0.8
241.01205	26.7
259.02151	1.1
277.21719	49.3
278.21979	3.6
315.04880	19.0
333.05966	2.0
357.15714	0.8
593.27319	88.7
594.27673	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	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35627	0.3
68.98483	0.3
71.59432	0.3
79.16459	0.3
79.60452	0.3
80.82153	0.4
93.03483	1.1
107.01418	0.7
109.03027	0.3
115.00407	0.3
117.03503	0.5
120.02720	0.3
127.81015	0.3
134.03755	0.7
137.02390	0.4
150.03256	0.5
151.00380	1.1
154.04211	0.5
155.05113	0.5
155.81021	0.3
159.04489	0.7
169.06645	0.8
171.04501	0.6
176.78870	0.4
183.04539	1.9
185.06079	0.9
187.03987	0.7
193.05124	0.7
211.04050	1.9
213.05620	0.8
214.02698	0.5
215.03606	0.5
219.03203	0.4
227.03494	2.4
229.04988	0.7
239.03470	0.8
241.05032	0.4
255.02988	27.1
256.03470	1.4
257.04556	0.6
269.04529	0.6
281.04703	0.4
283.02487	50.2
284.02972	5.7
285.04053	100.0
286.04358	5.5
297.04080	0.7
299.05826	0.4
307.06125	0.4
327.05130	3.0
351.05026	0.5
382.19028	0.3
389.12256	0.4
431.09796	7.7
432.10123	0.6
446.08533	9.6
447.09305	17.7
448.09531	1.4
473.10474	0.4
593.15076	25.4
594.15564	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	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03376	0.7
69.25561	2.9
69.25983	4.0
78.16769	0.7
78.83469	0.7
92.86245	0.7
92.86864	0.7
93.03477	1.0
98.20670	1.1
151.00380	2.5
169.06570	1.8
171.04515	0.9
183.04504	2.5
185.06145	1.7
187.04013	1.0
189.05580	1.4
211.03955	2.0
213.05615	2.4
227.03508	10.1
236.08783	0.6
239.03380	1.2
255.02995	47.0
256.03470	3.3
257.04504	1.9
269.05139	0.6
283.02496	100.0
284.03183	22.2
285.04050	44.0
286.04477	2.8
406.84711	0.7
430.09100	17.2
431.09839	5.4
446.54697	0.7
447.09332	44.9
448.09518	3.2
593.15204	27.6
594.15308	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03968	0.4
60.47579	0.4
69.83238	0.4
76.10049	0.4
76.78300	0.4
93.03488	1.0
107.01407	0.7
113.00558	0.6
117.03485	1.0
151.00395	2.0
154.04219	0.8
155.05066	0.5
159.04559	0.7
169.06546	2.2
173.02496	0.6
183.04462	2.6
185.06059	1.1
187.04027	1.2
189.05519	1.2
195.04544	0.6
211.03935	2.2
213.05568	2.5
214.02669	0.7
215.03510	1.1
227.03502	5.7
229.05070	0.8
230.15497	0.4
239.03426	0.7
241.05099	0.6
243.02943	0.6
255.02989	46.8
256.03497	2.3
257.04651	2.2
283.02496	100.0
284.03098	11.3
285.04050	59.9
286.04449	3.3
327.05246	0.5
430.09048	16.2
431.09787	21.1
432.10242	1.2
444.67032	0.5
447.09344	19.6
448.09558	1.6
529.50391	0.5
593.15106	31.9
594.15350	3.7
616.30261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26554	0.2
61.98827	0.2
70.19901	0.6
72.29565	0.1
72.77137	0.1
77.03963	0.3
80.96526	0.3
83.37000	0.2
83.57513	0.2
88.69337	0.2
91.01900	0.3
93.03477	0.3
107.63609	0.2
120.02204	0.7
121.02969	100.0
122.03297	2.3
136.01663	0.4
152.99579	0.5
164.75343	0.2
165.01936	4.2
180.05800	0.6
181.05058	0.3
181.06587	2.3
188.22826	0.2
196.28189	0.2
197.06055	1.7
202.34181	0.1
207.04520	0.8
207.08171	0.3
209.04559	57.7
210.04869	1.9
223.04033	0.2
225.05585	2.1
251.07089	0.5
255.02959	0.3
256.09177	0.2
257.09753	0.4
283.02399	0.4
285.04056	0.3
313.07166	1.6
329.11795	0.2
357.06152	1.0
366.88058	0.2
373.10809	0.4
383.07700	1.2
401.08624	0.3
417.09747	1.0
447.09497	0.2
485.01901	0.2
505.11353	3.1
506.11874	0.3
549.10394	6.2
550.10577	0.5
593.13080	9.6
593.26965	0.4
594.13593	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18728	0.5
61.98827	1.5
62.80682	0.7
63.09630	0.7
66.17400	0.6
70.43378	2.0
70.71289	0.6
77.99424	0.6
78.95909	55.8
96.95998	0.7
96.96973	5.6
100.65368	0.7
121.02937	1.8
150.98012	1.8
152.99596	100.0
153.99963	1.1
154.99873	0.6
166.65103	0.7
171.00653	5.1
209.04591	1.4
255.02846	1.1
283.02457	1.9
285.04077	1.4
333.24185	1.1
357.63678	0.7
447.09488	1.2
505.25717	29.2
506.26309	2.8
592.28796	5.4
593.14990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83329	2.5
53.19796	2.2
55.01887	3.2
57.03430	3.4
59.01382	100.0
61.98831	4.3
69.35763	6.8
69.36186	14.9
71.01381	14.0
73.02941	3.1
83.01377	4.1
83.86736	2.4
85.02957	11.4
88.93785	2.7
89.02443	2.9
91.61354	2.3
96.96011	10.0
97.02979	3.1
98.20669	5.7
101.02480	13.8
113.02456	6.8
121.10203	2.5
134.03674	2.9
151.52768	2.5
161.04489	5.9
179.10753	5.5
264.08301	2.7
301.24130	2.8
343.28781	3.5
369.80237	3.2
419.55850	2.6
432.29739	3.5
487.32806	62.7
488.33386	7.0
505.33832	24.8
591.28369	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	592.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
60.35572	0.8
69.10175	0.8
70.11721	1.6
70.12103	2.0
71.01403	1.2
96.96020	1.4
109.02993	1.6
113.84876	0.8
116.05070	35.4
121.02943	1.0
135.00922	1.3
137.02435	2.4
146.06157	1.1
148.01656	2.8
149.02423	2.8
163.00378	13.9
171.04573	2.3
175.00391	2.1
176.01138	10.8
183.04428	1.9
185.06050	1.8
187.03963	1.4
195.04459	2.0
196.05280	2.3
197.06085	2.0
199.03978	1.4
204.00667	1.9
211.04019	7.6
212.04703	2.1
213.02005	1.2
213.05515	4.0
214.02548	1.2
215.03514	7.3
217.05151	1.6
223.03896	1.6
224.04590	1.2
226.02724	1.5
226.12274	0.8
227.03506	3.6
228.04251	2.0
229.05063	3.5
239.03474	5.7
240.04164	2.9
241.05116	6.6
242.02223	3.6
243.02963	5.2
253.09682	1.3
255.02997	9.4
256.03766	10.8
257.04541	10.4
267.02982	14.4
268.03622	1.9
269.12881	4.7
270.01740	6.3
271.02533	2.9
271.10840	1.4
280.06033	1.2
283.02484	46.7
284.03177	11.4
285.04041	18.7
295.02469	2.3
295.10822	1.6
298.18729	0.9
311.02011	14.2
312.02765	48.3
313.03534	90.0
314.03894	4.4
347.12360	1.0
358.92770	0.9
372.08798	1.3
382.06934	1.3
386.18951	2.0
400.08197	4.1
412.16519	5.4
429.08530	23.8
430.09161	14.1
430.17691	14.0
431.18073	1.5
447.08963	1.6
472.18732	2.4
475.08823	100.0
476.09232	6.7
592.14606	57.0
593.14777	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	591.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84115	4.2
70.84431	2.7
83.22931	1.9
95.35493	2.1
497.23676	3.8
500.22064	9.9
515.24548	100.0
516.25171	12.5
559.23566	5.5
561.70953	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	5.9
59.01384	100.0
61.09432	3.0
61.61650	3.1
61.98842	5.1
67.46333	3.3
69.86430	14.1
71.01389	25.9
72.99295	4.0
73.02946	9.2
83.01405	5.3
85.02959	13.9
91.97312	3.7
94.40809	3.4
95.94612	3.2
96.96022	9.3
97.48685	2.8
99.00861	3.8
101.02450	12.0
102.93230	3.3
113.02448	12.2
115.00350	6.3
161.04602	6.4
173.01009	4.3
178.61761	3.4
358.48856	3.4
451.71118	3.6
475.28879	3.4
487.32623	48.5
488.33057	3.7
505.33862	24.3
547.35461	5.1
591.27844	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	591.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96380	0.7
52.89157	0.6
54.05231	0.7
61.98851	0.8
62.65127	0.6
62.73658	0.6
65.85067	0.8
69.48901	0.7
71.01387	11.0
71.58915	1.0
72.99315	2.4
87.00885	0.8
89.02480	1.0
115.00388	31.5
133.01447	100.0
134.01823	2.0
134.03738	2.0
135.04539	22.0
136.04863	0.9
142.74059	0.7
179.03514	24.9
180.03897	0.8
201.01587	0.8
216.99091	1.1
295.04544	4.1
462.66446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2616
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.21280	0.3
63.81610	0.3
66.52481	0.3
70.05042	1.5
76.59250	0.3
76.82584	0.3
81.49968	0.4
98.33315	0.3
106.06624	0.6
144.10786	0.4
144.73824	0.4
160.94518	0.4
173.81551	0.4
264.88159	0.4
443.23123	2.1
444.19067	0.5
445.20377	1.5
445.24994	0.6
455.22363	0.7
456.23428	1.0
457.20572	0.9
458.21100	1.0
459.21686	1.9
461.23331	0.4
471.25534	3.0
472.23044	2.3
473.23996	1.9
481.20303	0.5
482.21057	1.5
484.18942	0.9
485.19733	3.5
487.25653	3.3
488.22058	0.6
497.23386	4.6
498.23935	0.7
499.21417	4.2
500.22165	13.3
501.22467	1.5
503.20755	0.6
504.21545	0.7
508.94183	0.4
513.22992	0.8
514.23920	0.6
515.24548	100.0
516.24817	13.0
518.23480	0.8
519.24176	0.7
553.77380	0.4
559.23352	4.0
591.26672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.3
60.24192	4.2
61.98831	85.2
62.54409	3.9
71.01382	11.5
71.60724	4.5
71.61127	5.0
73.76334	4.1
75.00879	11.1
78.95915	18.7
83.51750	3.9
84.27002	4.1
85.02949	14.2
87.86868	4.0
107.07920	4.0
113.02434	11.4
117.02023	4.5
152.99577	23.9
236.93436	4.8
277.21747	100.0
278.22055	7.8
292.79697	4.3
319.22888	4.2
340.71332	4.5
505.25751	57.0
527.28699	90.3
528.28821	8.1
590.22583	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	590.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76931	1.7
59.94117	1.7
61.98832	19.9
65.92028	1.7
71.17202	3.8
71.17529	1.6
75.94022	1.5
78.95908	81.3
81.29098	1.6
95.96185	5.1
96.96966	17.0
114.76379	1.6
122.98528	22.8
125.00108	14.1
137.06087	1.8
146.54901	1.6
150.98109	3.0
151.01630	6.9
152.39264	1.9
152.98363	2.9
152.99602	57.5
165.09247	2.0
168.04272	4.1
171.00597	2.1
181.02672	6.8
183.13843	2.4
224.06850	3.8
242.08025	3.4
279.16104	1.8
289.25269	3.4
333.24371	100.0
334.24533	4.2
347.25888	37.4
348.26266	2.5
351.25308	7.2
365.26941	61.3
366.27176	5.3
408.21915	2.0
505.25687	34.8
506.25626	2.8
531.27136	7.8
590.34564	29.0
591.35229	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	589.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41022	2.7
57.03444	3.4
59.01382	100.0
63.96238	2.6
69.32818	21.7
69.68056	2.3
71.01384	32.3
72.99316	3.2
73.02959	7.0
73.72505	2.8
85.02943	6.8
89.02460	24.2
96.96038	18.2
101.02435	12.1
113.02463	19.2
115.00385	3.4
119.03514	9.8
123.08235	2.6
123.96072	2.4
125.06093	2.5
125.21767	2.4
133.01382	3.9
135.04504	3.2
143.03540	3.1
143.07169	3.1
145.06212	7.5
161.04562	7.9
171.10280	9.8
179.05675	6.1
181.08662	2.8
227.12738	2.9
253.09183	4.9
263.16443	3.4
281.17465	4.1
329.82224	2.4
337.10342	7.3
460.16690	2.5
473.27109	9.3
485.31079	17.4
487.06015	3.0
503.15741	6.8
503.32486	10.0
545.17450	3.2
589.34332	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66646	2.3
59.01384	100.0
61.98829	3.7
69.98217	8.7
71.01392	14.0
71.67780	2.1
73.02977	3.3
81.52570	2.2
83.01395	6.8
85.02954	11.9
89.02449	2.8
89.32991	2.6
92.59511	2.1
95.01424	4.5
95.92133	2.4
96.67497	2.4
96.96013	2.9
98.20528	3.1
99.00928	2.7
101.02436	12.0
113.02448	5.8
134.19327	2.3
145.06212	5.5
146.19800	2.2
161.04518	3.0
171.10330	5.1
182.68896	2.2
183.10394	2.3
269.04623	2.8
277.35776	2.2
297.04114	5.7
341.26883	5.3
413.25250	3.2
443.09460	3.2
444.10864	3.8
467.30130	3.3
485.31305	36.8
486.31351	3.0
503.32327	26.0
536.35394	2.6
589.32751	7.8
590.15704	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	589.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06602	1.4
59.01382	100.0
61.98827	3.2
69.03463	1.9
69.52220	3.9
69.52641	8.9
71.01388	35.0
72.01734	1.9
73.02948	13.6
83.01393	5.0
85.02963	5.7
87.00881	3.0
89.02453	28.7
95.01379	2.4
96.96013	7.3
98.12819	1.6
101.02447	18.3
113.02460	20.6
115.00379	3.6
119.03529	11.1
128.03516	3.0
131.03537	3.0
133.01413	4.7
134.03738	3.1
135.04521	1.9
143.03523	2.8
145.06181	6.3
161.02457	2.0
161.04555	8.3
171.10251	7.9
179.05608	7.0
181.08751	2.0
199.09807	2.0
209.11909	2.8
227.12878	2.8
282.34769	1.8
398.72858	1.8
401.08820	1.9
473.25522	7.4
485.31174	12.7
501.37708	2.3
503.32318	9.7
545.36951	4.7
589.34595	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	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86971	2.4
57.03448	3.8
59.01384	100.0
61.98833	7.7
70.75833	7.5
71.01389	31.6
73.02949	7.7
77.19820	2.7
83.05029	3.2
85.02938	14.2
87.00888	3.2
89.02438	6.1
95.95242	3.6
96.96011	26.2
97.06580	2.6
99.00887	2.7
101.02457	13.2
102.05622	6.3
113.02460	12.2
115.00388	5.7
119.03498	3.8
125.06052	3.2
127.05112	3.4
128.03552	7.7
133.01454	8.2
134.12967	2.7
143.03510	4.0
143.07141	8.2
143.27965	3.3
145.06224	11.3
146.04608	3.9
161.04588	6.3
171.10283	12.7
179.03493	4.5
181.08769	4.6
199.09828	3.9
209.11810	6.9
227.12842	6.0
296.35843	3.4
306.07669	4.0
311.22498	4.1
323.25891	3.2
341.26764	3.0
460.30005	3.7
467.30133	4.1
473.27231	16.9
485.31210	48.5
486.31552	5.8
503.32468	16.7
545.35669	3.2
589.34601	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28576	0.4
56.65870	0.3
58.34372	0.3
59.01361	1.0
61.98821	0.5
65.00316	0.6
67.98365	0.4
69.21958	0.4
69.32246	1.2
69.32655	2.3
73.21218	0.4
81.03465	5.7
83.01393	2.7
85.02954	0.4
85.07390	0.3
85.54428	0.4
95.05033	0.8
98.19865	0.8
107.01358	0.4
123.04527	35.7
124.04846	0.6
125.02435	4.7
131.01436	0.6
137.02434	0.9
139.04048	0.6
147.52858	0.4
149.02391	1.0
151.00339	1.6
151.04002	1.2
152.25392	0.4
152.99509	0.4
163.04005	0.8
166.02805	0.4
167.03494	100.0
168.03865	2.6
175.00343	0.9
179.03471	0.6
181.05104	2.1
191.03499	19.2
192.03842	0.9
209.04546	8.8
221.04521	2.8
233.04462	0.6
288.98776	0.4
589.30176	4.5
590.29974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.6
59.45177	0.6
61.98835	0.8
71.31682	0.8
72.99323	1.5
75.00879	100.0
78.95895	3.5
96.96942	0.7
152.99591	2.5
172.59763	0.6
188.46916	0.5
272.27316	0.6
277.21695	4.2
287.11911	0.5
366.80832	0.7
388.05508	0.8
505.25909	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	589.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96385	7.1
58.51318	6.4
59.50938	8.5
67.05608	6.3
69.56983	49.7
71.01378	11.0
80.10934	5.7
87.23866	7.3
104.23288	6.8
115.00391	30.4
119.05046	18.5
133.01443	100.0
134.03748	19.5
151.17465	7.1
163.03970	25.3
166.63689	6.6
193.05013	21.7
193.64653	6.8
195.55180	6.5
429.09863	7.6
597.50507	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	589.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23994	5.1
62.41167	5.2
71.01396	15.6
76.41412	5.9
78.24339	5.1
81.39590	5.6
99.98205	5.5
101.41156	4.7
105.03461	24.3
115.00394	16.4
119.05019	13.4
133.01462	60.3
133.02980	100.0
134.03767	10.1
136.57887	5.5
163.04083	13.9
177.01938	85.3
193.05006	11.5
269.08179	6.9
357.09866	21.6
539.28699	5.7
549.33807	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	587.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.6
59.01382	100.0
61.98818	8.7
64.65675	2.3
67.17178	2.4
69.35083	20.5
71.01385	38.5
71.04955	2.4
73.02959	19.8
83.01397	9.1
83.05023	3.3
84.04558	4.0
85.02948	7.0
87.00871	5.0
87.04539	2.3
89.02448	16.6
92.31116	2.4
95.01375	3.5
96.96013	20.5
97.06564	2.3
98.19819	4.4
98.31980	2.9
101.02448	23.7
102.05586	4.3
109.04030	2.8
113.02451	23.4
115.00375	5.9
116.92835	2.7
119.03495	7.1
122.06084	3.1
127.05157	23.1
128.03535	14.4
133.01411	5.6
143.03520	2.6
145.06204	52.7
146.04617	4.6
161.04509	9.6
171.10281	7.0
175.12779	3.2
179.05597	7.7
225.11440	3.4
271.82333	3.3
359.59473	2.5
471.25592	5.5
483.29449	5.7
501.24112	5.4
501.30341	4.8
543.35156	5.4
569.24274	3.4
569.32483	3.2
587.25317	4.5
587.33533	46.9
587.91534	2.9
588.33020	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	587.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
58.02973	1.4
59.01386	9.1
61.98833	2.1
68.85192	0.7
71.01385	6.6
71.15862	1.8
72.00900	1.1
72.99348	1.3
73.02943	1.3
74.02481	2.5
78.95905	1.5
82.02997	1.3
83.05014	1.8
84.04546	3.8
85.02927	0.8
86.02482	0.7
89.02423	1.1
93.13709	0.7
95.95252	0.8
96.96026	3.1
97.04073	1.3
98.02473	1.5
101.02456	1.5
101.07207	2.4
107.02503	1.0
109.04086	6.5
111.78133	0.7
113.02486	2.2
114.05618	1.2
115.00409	1.2
116.05032	0.9
125.03552	4.8
125.07215	0.8
127.05147	32.4
128.03548	12.3
128.05507	0.8
133.01453	1.0
135.04523	1.0
143.07098	0.8
145.06197	100.0
146.06577	1.9
171.10245	1.2
173.48291	0.8
179.10799	1.1
218.27275	0.7
240.11115	0.9
260.16568	1.7
290.74072	0.7
333.18329	2.1
334.18893	0.7
345.18179	0.7
361.17642	1.4
362.18475	8.8
363.19232	7.7
400.20435	0.7
471.21591	1.4
471.26953	1.0
543.35596	2.4
569.32330	1.2
587.33405	68.6
588.33606	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	586.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65389	1.2
58.02974	2.2
59.01367	1.7
61.98824	2.1
71.01379	3.5
73.04081	7.2
78.95905	4.1
79.21470	1.1
80.05096	1.3
80.65835	1.1
84.04557	3.7
87.05643	11.7
88.04021	1.1
96.96024	5.6
97.04081	1.5
97.90614	1.1
98.02484	1.5
98.19810	2.2
102.05618	30.4
110.02543	1.5
115.00377	4.9
115.05146	15.6
126.06741	10.2
128.03551	88.4
129.03944	2.1
129.10324	3.3
129.76523	1.3
130.08742	20.7
133.01433	4.7
134.03728	7.9
135.04100	2.1
140.07181	3.6
144.07799	10.0
146.04607	31.6
149.02452	2.8
150.03194	3.8
150.06458	1.6
151.03979	2.0
154.12398	1.6
155.11884	3.3
165.05508	1.7
168.07788	20.3
171.15059	6.1
178.02715	3.2
179.03108	2.3
179.10756	3.8
182.13002	3.0
183.11394	1.3
186.08870	14.4
193.05074	11.0
194.05418	4.5
197.12938	1.5
199.18100	1.9
215.13948	4.2
223.09738	4.3
225.16171	3.5
229.59402	1.3
252.20775	2.1
259.13077	1.8
270.21829	3.7
284.23248	1.5
295.21429	1.6
311.09003	3.5
314.20810	2.3
327.23807	1.5
328.22302	2.0
355.08145	3.2
399.26196	3.0
413.24078	30.9
414.23880	1.8
439.25653	2.4
457.26639	12.9
458.14407	2.1
498.29471	1.9
542.28375	68.7
543.28815	5.6
568.18585	1.4
586.30975	100.0
587.31305	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	586.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06720	0.6
55.45360	0.6
58.00293	0.6
58.02978	6.7
59.01366	2.6
59.59377	0.6
61.98830	1.4
66.03481	1.0
66.84090	0.6
71.01376	3.0
71.60523	0.8
74.02474	14.5
82.02999	2.2
84.04544	0.7
86.02045	0.7
86.02474	4.9
86.06144	0.9
86.99091	1.7
87.05651	3.3
88.04053	0.8
90.00191	1.9
96.04541	0.9
96.96004	2.5
97.04065	1.8
99.05644	12.8
101.07201	1.9
102.05627	1.7
108.18601	0.7
109.04057	2.1
111.05614	0.8
112.04030	1.9
115.00411	1.1
116.01746	0.9
120.01202	1.0
120.93128	0.7
123.05652	1.9
125.03562	1.5
127.05124	5.0
128.03551	35.0
131.04681	1.1
133.01404	1.0
135.05638	2.2
141.06709	2.6
143.04634	44.9
145.06215	10.7
146.04637	4.4
153.06674	2.7
155.08235	0.7
160.00752	12.4
166.09863	2.0
167.04654	3.4
167.08211	1.6
171.07890	0.8
177.03363	4.8
179.04620	9.0
181.06259	1.0
185.05702	1.2
197.05615	1.9
210.08879	8.6
225.11304	1.4
242.07851	1.1
254.07831	12.5
255.08061	0.8
261.21310	0.7
272.08887	24.1
280.03552	0.7
288.06577	8.0
306.07657	100.0
307.07846	3.7
362.17935	1.0
542.20032	1.3
586.31958	4.7
587.32788	1.3
612.86206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67839	0.7
58.02969	6.7
58.94643	0.6
59.01386	4.0
60.21534	0.7
61.98847	3.8
66.03476	0.8
69.63769	2.1
69.64188	2.8
70.02983	0.9
71.01375	2.8
72.00920	1.6
74.02475	13.6
78.95918	1.3
82.02984	1.2
85.49760	0.6
86.02473	5.8
86.06136	0.9
86.99133	1.7
87.05640	3.2
88.98811	0.7
90.00181	0.7
95.02546	0.8
96.96014	1.6
96.96988	1.1
97.04075	1.6
99.05651	12.7
101.02434	1.4
101.07229	2.3
102.05599	1.8
109.04066	2.7
111.05642	0.8
112.04070	1.4
113.02460	1.1
115.00393	1.5
116.01717	1.5
123.05689	1.7
125.03596	2.2
127.05178	4.0
128.03545	34.8
133.01437	1.3
135.05688	3.6
137.07239	0.9
141.06703	2.9
142.67889	0.7
143.04630	47.7
144.04971	1.1
145.06242	4.5
146.04593	3.1
149.07265	0.7
153.06700	2.8
160.00725	12.3
166.09860	1.3
167.04654	4.0
167.08296	1.6
177.03381	4.7
179.04631	9.1
181.06137	1.7
185.05708	0.9
192.07825	1.4
197.05634	1.5
205.79697	0.7
210.08858	7.4
242.07870	1.1
254.07831	14.7
272.08887	23.1
288.06631	9.0
306.07657	100.0
307.07944	4.8
457.11667	1.0
471.25955	2.3
500.20929	0.9
543.35486	0.9
586.23914	0.9
586.33276	1.4
587.33087	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	15.8
71.60225	3.3
72.99305	3.5
85.72073	2.2
86.78383	2.7
89.02434	2.7
95.95242	3.7
96.96010	3.8
114.57423	2.6
115.00383	41.0
115.01143	4.3
119.05032	21.2
128.03522	3.7
133.01447	100.0
134.01781	2.4
143.05023	3.7
163.04004	30.1
178.19125	2.6
193.05096	5.9
225.56950	2.5
235.07735	2.9
251.07120	6.8
252.07954	11.8
267.10370	8.7
278.05692	2.8
295.77045	3.2
296.06784	3.7
296.17535	2.7
311.05942	5.2
311.09238	23.9
322.04947	3.2
337.07208	6.0
355.08289	21.2
586.31763	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	586.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43727	2.6
58.02977	13.3
59.01374	3.9
61.98841	7.7
68.65675	3.0
69.60492	19.9
71.01384	6.9
72.00890	2.7
74.02468	35.7
82.02972	5.4
86.02479	13.3
87.05632	7.6
96.96011	10.2
97.04084	3.5
97.30370	2.7
97.39477	2.7
99.05646	28.0
101.07201	6.3
102.05601	6.1
109.04058	5.0
109.07638	3.0
111.05637	4.2
112.04067	4.6
115.00335	7.2
116.05056	10.5
120.22025	3.7
123.05639	5.4
127.05108	7.0
128.03548	83.7
133.01439	7.1
135.05627	12.6
137.07173	3.3
138.03815	8.0
140.05376	8.2
143.04631	100.0
145.06151	7.5
146.04579	11.6
153.06670	6.4
166.09818	6.5
167.04630	4.3
167.08249	5.9
179.04677	33.5
191.35590	3.1
192.07806	5.5
193.62306	3.1
197.05667	5.8
210.08870	37.3
228.09818	4.1
252.07777	3.3
254.07785	60.2
269.11182	34.1
272.08890	75.0
285.04001	3.6
306.07578	12.7
311.09286	10.6
312.68051	3.0
313.10150	8.5
315.42358	3.2
356.81580	2.9
413.16608	5.1
457.15564	8.1
524.19885	6.8
542.20544	14.5
568.18671	23.6
586.19684	84.1
587.19952	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	585.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17710	0.5
55.01889	0.7
58.00603	0.7
58.02979	1.5
59.01095	1.1
59.01384	20.8
61.98820	1.0
71.01387	12.6
71.30532	0.7
71.30851	1.0
72.99319	2.2
73.02956	1.7
74.02477	1.8
82.02973	0.7
83.01380	1.0
84.04573	1.2
85.02955	3.5
86.14815	0.6
87.00883	1.0
89.02454	5.0
96.96005	4.0
97.04091	0.8
98.02505	0.9
99.00887	1.2
101.02431	4.9
101.07246	1.3
109.04069	5.6
113.02473	3.3
114.89822	0.6
115.00380	1.7
116.92877	1.0
119.03547	1.0
125.03574	1.3
127.05146	29.4
128.03543	16.2
133.01421	1.4
145.06203	28.2
289.23010	1.6
307.23843	0.8
334.14117	0.6
343.27484	0.7
439.26990	1.9
469.24432	2.3
567.32996	3.6
585.33984	100.0
586.34235	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	585.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.4
59.01097	5.1
59.01385	100.0
61.98836	8.6
70.70265	7.2
70.70652	6.3
71.01382	30.1
73.02945	4.9
83.78676	3.0
85.02939	7.5
89.02453	14.0
96.96017	34.4
101.02451	12.2
109.04154	3.5
113.02480	19.0
115.00372	7.7
116.92847	4.3
119.03506	4.8
127.05156	15.3
128.03517	10.1
133.01401	6.6
135.04488	5.1
145.06212	50.5
149.09715	13.1
152.07132	4.3
161.04533	7.4
179.05701	4.1
186.58365	2.9
189.32001	3.4
214.36848	3.1
238.87740	3.6
311.05154	3.6
481.28085	11.6
499.15134	4.7
499.29178	5.2
541.23529	3.7
585.31262	47.7
586.31482	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	585.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	1.3
71.15831	1.1
78.95925	4.9
93.03432	1.2
96.95466	0.8
96.95997	4.5
96.96983	0.8
98.83877	0.7
102.05614	0.9
104.99497	0.6
108.02175	1.1
115.00391	1.4
119.05080	0.6
121.03008	3.5
121.03780	0.6
122.03757	3.1
123.04539	3.9
124.96603	0.7
128.03535	1.7
133.01425	1.4
133.02968	3.2
134.03752	54.1
135.04091	1.5
136.01691	2.8
136.99042	0.8
137.02457	10.0
139.03996	2.7
144.79968	0.8
145.02962	0.9
146.04616	2.0
147.04543	0.8
149.02461	9.4
149.06094	18.7
150.03238	16.9
151.04042	11.6
153.05617	0.8
163.04176	0.8
164.04797	1.4
165.05580	12.7
177.01956	0.6
177.05499	1.0
177.93040	0.6
178.02731	36.2
179.03400	2.1
179.07161	2.5
180.04282	1.1
181.05058	6.5
192.04330	6.6
193.05064	100.0
194.05414	3.8
195.06587	3.6
207.06647	9.4
285.04019	1.3
299.09323	1.0
327.08972	0.8
329.10358	3.0
341.10364	2.8
357.08981	2.7
359.11365	2.1
373.13037	1.1
387.38699	0.8
389.12463	3.9
433.16483	1.6
443.13541	2.6
469.17053	0.9
537.17810	2.4
549.18134	3.4
567.18640	6.1
585.19904	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11433	19.4
65.88297	20.2
70.16534	30.3
70.16874	76.5
82.66216	18.6
87.00902	100.0
91.92614	20.7
96.96002	23.9
98.20612	25.6
115.00396	30.2
129.01897	25.8
133.01396	75.6
155.07166	35.7
187.18712	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	585.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.4
61.98831	4.1
69.69308	3.6
70.51872	0.6
71.01389	17.6
73.02959	0.9
82.26514	0.5
96.96021	2.8
98.19902	1.1
99.75259	0.7
99.92574	0.9
101.02446	0.8
115.00384	18.7
115.92089	1.5
116.05070	100.0
116.92880	3.2
117.05403	2.3
121.03008	0.6
123.04507	1.3
127.05127	2.0
128.03555	1.1
133.01443	5.5
134.03726	2.7
135.04547	6.8
136.01666	1.0
145.06233	3.5
147.04549	1.2
149.06061	2.3
151.04024	0.9
154.06636	7.8
156.08234	1.4
166.06595	1.1
245.10844	7.3
246.09184	0.8
255.09297	2.2
256.09927	1.0
257.10822	5.7
260.07138	1.2
274.08774	7.9
275.09525	9.7
276.10071	1.6
290.11862	7.5
301.13474	10.6
302.13705	0.9
317.12830	2.8
393.16150	1.8
399.59204	0.6
404.24420	0.6
407.17648	91.8
408.18027	10.1
437.15057	1.4
469.18124	0.9
469.24432	1.4
499.09534	0.7
567.22040	0.7
585.32440	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	583.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
61.98832	100.0
63.92462	0.1
69.31103	1.4
78.95909	0.9
88.00425	0.2
88.98815	0.5
91.56910	0.1
152.99583	0.6
162.10356	0.1
184.22314	0.1
196.89639	0.2
226.73657	0.1
245.04343	0.2
281.24872	2.2
282.25201	0.8
283.25659	0.4
284.25876	0.3
482.26465	0.1
506.32416	0.8
509.33533	0.4
583.33722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75465	0.3
56.36621	0.3
59.01377	5.0
59.16000	0.3
60.59396	0.3
61.98833	100.0
71.59930	0.3
71.60338	0.4
78.95914	4.0
79.19723	0.3
111.41054	0.3
115.92063	0.7
116.92874	0.4
152.99634	1.2
179.89259	0.6
180.89987	0.5
188.23817	0.3
196.89503	0.9
197.89548	0.4
210.15976	0.3
245.04442	0.4
246.97659	0.3
254.22171	0.4
277.21860	0.7
281.24911	1.8
282.25156	0.4
482.26248	0.6
506.32336	1.4
583.19135	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	584.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75985	4.0
69.26318	4.3
71.01386	22.0
96.96026	12.6
100.94920	3.8
115.00381	42.3
116.05083	15.1
119.05031	40.7
120.01232	8.1
123.06667	4.1
133.01456	54.2
134.03720	15.6
135.04379	5.2
149.06059	4.3
157.01462	6.0
163.04018	100.0
175.02499	11.5
178.02779	9.7
178.74251	4.9
180.20287	4.6
187.03981	5.8
193.05043	32.5
213.14444	3.9
239.06882	4.7
244.06128	10.4
275.52328	5.5
279.05365	5.3
284.03156	5.4
285.04065	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	583.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60530	0.8
59.01094	1.1
59.01382	13.6
61.25174	0.7
61.98833	5.2
69.03443	0.9
69.54717	0.8
70.95493	2.1
71.01379	4.3
79.95744	5.2
80.96510	3.2
85.02964	5.3
89.02418	1.0
95.95229	1.7
96.96015	100.0
97.02962	1.0
99.00899	1.8
103.00372	8.1
108.14487	0.8
113.02450	1.1
116.92844	1.0
119.11239	0.9
129.01933	2.1
138.97084	1.2
152.98639	1.9
164.98608	1.3
168.98166	1.3
176.98604	3.2
177.03984	4.8
183.22922	0.8
215.08270	1.2
238.98709	5.2
241.00313	1.9
250.55330	0.8
256.99747	34.3
299.00830	5.1
405.12485	1.0
497.20630	71.2
498.21091	3.8
539.21674	35.4
540.22125	2.5
565.19940	2.5
583.20636	44.7
584.21313	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.2
69.65229	3.0
69.65651	4.8
71.01364	1.0
78.95908	100.0
80.96515	1.4
81.91882	1.1
96.96959	6.4
99.92587	11.9
100.93402	1.6
115.92084	40.7
116.92076	2.5
116.92862	28.7
120.96920	1.3
138.52277	1.1
143.92340	1.1
150.97995	5.7
152.99593	38.0
154.52908	1.0
163.89719	1.5
164.90556	2.2
171.00638	6.7
172.95479	8.6
174.63432	1.2
178.88463	8.2
179.89218	31.9
180.90027	23.6
181.90816	1.7
194.87926	2.2
195.00587	1.4
195.40927	1.1
196.89496	53.4
197.89481	1.6
205.90779	4.8
206.91643	2.5
208.89423	2.3
219.92386	1.5
221.90292	1.3
234.91051	1.3
235.91855	9.1
236.92609	22.0
252.92163	2.9
255.23305	18.9
256.26886	1.2
259.79721	1.0
262.08017	1.4
263.91162	1.0
270.93210	2.0
277.21921	1.2
278.93732	3.3
289.33749	1.3
296.56558	1.3
309.95538	2.3
409.23663	1.9
475.15585	10.0
483.27194	6.7
492.15903	8.4
493.16107	1.4
535.17725	6.3
547.17694	4.9
583.19836	96.0
584.20087	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	583.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95488	0.5
57.03436	0.7
59.01388	16.9
61.91835	0.7
61.98832	6.1
71.01387	6.9
72.99306	1.5
73.02959	1.1
75.00890	0.7
78.95909	1.3
79.95739	5.0
80.96520	2.4
83.01421	0.8
85.02960	4.9
87.04514	0.7
89.02491	1.0
95.04223	0.7
95.95254	1.5
96.96017	100.0
97.02943	1.8
98.95612	1.6
99.00902	1.2
101.02464	1.7
103.00391	9.1
105.03449	1.0
110.96232	0.6
113.02484	1.3
115.00368	2.2
116.05062	1.1
116.92856	1.6
122.06126	0.7
129.01949	2.4
133.01448	1.4
133.02968	10.5
134.03734	2.6
135.04491	0.7
137.02438	1.6
138.97075	1.2
152.98643	1.7
155.10806	1.1
159.03020	0.9
176.98647	2.4
177.01956	10.9
177.04015	4.8
178.02734	4.7
179.03436	0.7
194.99664	1.4
238.98715	5.7
241.00250	2.2
256.99747	30.7
262.08759	1.4
299.00748	5.3
307.18573	0.6
391.17361	1.0
405.12427	1.8
435.16684	4.8
468.17908	0.8
497.20663	57.5
498.21359	4.0
523.34918	0.9
539.21783	30.3
540.22028	3.7
565.19214	2.0
582.23773	0.6
583.20575	39.4
584.20972	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	583.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01176	1.5
59.01387	2.9
59.24058	1.5
62.96421	1.6
70.91884	4.7
78.95908	100.0
84.80465	1.5
88.77663	1.7
96.96978	2.3
99.92587	13.3
115.91292	3.1
115.92076	46.9
116.92080	2.5
116.92857	29.4
150.98045	6.1
152.99605	29.9
164.90550	2.6
169.51872	1.7
171.00620	4.8
172.95448	6.3
178.88431	6.9
179.89240	25.7
180.90015	28.4
181.90796	4.8
194.50049	1.7
196.89481	50.8
205.90749	3.5
206.91487	2.7
208.89543	2.8
216.96017	1.6
229.58629	1.6
230.32965	1.7
235.91779	10.3
236.92654	18.1
253.92871	5.7
255.23254	15.7
283.26416	6.7
284.26733	3.3
409.23975	2.3
411.18427	4.0
475.15625	7.6
483.27499	5.9
492.16122	10.3
508.34024	3.8
535.17902	5.0
547.17682	10.0
583.19843	86.4
584.20325	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	582.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	1.1
59.01381	18.6
61.98812	1.2
71.01370	1.8
78.95473	1.1
78.95911	21.5
78.98579	2.2
79.95736	2.2
80.96514	15.6
87.00863	1.3
94.98067	3.5
97.34806	1.0
104.65510	0.8
115.92066	1.1
116.92796	1.0
122.97599	1.2
127.42971	0.8
148.99138	1.1
152.98543	1.7
152.99591	2.8
164.98596	2.5
168.04274	2.7
179.89044	0.8
180.90062	0.9
185.18604	0.9
196.89403	1.2
224.06985	7.8
225.00694	3.2
242.07898	1.3
283.26428	100.0
284.26733	5.7
393.34885	0.9
411.01175	0.8
411.07599	0.8
508.34070	65.7
509.34323	6.6
570.07977	0.8
582.30334	31.5
583.19666	2.7
583.30176	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	582.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33128	1.9
56.43084	1.6
58.02971	7.3
59.24707	1.5
60.88243	1.8
64.95248	5.3
69.57684	8.6
69.58114	6.2
70.02980	5.0
71.05019	8.9
74.00694	6.3
74.02480	19.1
77.26455	1.6
82.02985	7.4
85.04084	3.5
86.02476	8.8
87.05650	6.5
96.96028	3.5
97.04076	14.4
98.20687	3.8
99.05658	12.5
100.00421	15.3
102.00179	5.5
105.99689	16.2
109.04080	3.5
110.05140	1.7
114.00214	2.2
116.01785	2.2
125.07159	2.1
127.05129	2.8
128.01794	7.8
128.03552	99.1
130.03348	1.9
133.01518	2.1
135.05632	7.3
141.03069	6.4
143.04626	54.2
146.04604	6.1
146.08240	27.4
151.05124	2.3
153.06726	8.3
160.00758	7.2
166.09879	2.0
169.06184	18.2
175.01839	18.3
179.04630	18.5
184.07382	1.8
185.03969	4.5
185.05676	2.5
197.05666	8.2
197.59320	1.7
203.04991	6.2
210.08842	9.8
217.11899	4.0
226.08383	3.3
254.07826	25.1
272.08905	83.6
273.09048	3.3
275.10757	7.0
277.12204	12.4
286.05008	12.5
304.06104	100.0
305.06448	5.1
306.07632	3.1
309.09473	19.3
334.34143	2.4
452.12793	2.2
564.17926	10.3
582.19110	80.7
583.19489	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	581.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67091	0.1
59.01379	0.8
61.98833	100.0
64.70166	0.2
69.86069	0.7
72.92774	0.1
78.95908	0.8
80.96580	0.1
82.96105	0.3
98.19938	0.3
100.47580	0.1
109.04102	0.1
116.69395	0.1
121.02983	0.1
152.99609	0.4
189.16150	0.2
242.08508	0.2
271.22955	0.3
275.62759	0.2
279.23260	1.6
280.23718	0.5
281.23999	0.4
282.24429	0.2
310.73215	0.2
499.27017	0.2
504.30972	1.3
507.31998	0.5
581.27600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83643	0.8
51.91136	0.8
58.62469	0.8
59.01384	100.0
59.12535	0.7
62.59387	0.7
70.57329	0.7
71.15858	1.5
71.81888	0.7
75.76660	0.7
88.20198	0.9
116.92897	1.1
129.43985	0.8
213.10023	0.7
277.21747	4.6
279.23285	5.8
322.40665	0.8
446.53619	0.9
581.45465	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	582.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34679	0.4
52.60474	0.4
59.01388	0.9
61.98833	100.0
63.08144	0.4
71.01403	1.0
71.18258	0.4
85.02953	0.6
91.08374	0.5
96.96014	1.0
98.17800	0.5
110.34949	0.5
115.00368	1.2
117.21727	0.4
118.40916	0.4
119.04975	0.5
133.01451	1.3
134.01790	0.4
138.38559	0.5
145.02974	0.4
163.04034	0.5
178.50351	0.4
207.04857	0.8
235.04465	0.6
261.05807	0.8
279.07074	1.1
285.04108	1.2
323.05936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14824	0.1
59.01372	0.3
61.98835	100.0
62.78370	0.1
62.98531	0.2
70.62901	0.4
71.01411	0.2
78.95933	0.4
79.65055	0.1
81.89965	0.1
82.96105	0.3
90.33490	0.1
121.57947	0.1
152.99591	0.3
157.18370	0.1
192.56274	0.1
202.22771	0.1
207.09732	0.1
222.46582	0.1
279.23285	2.5
280.23648	0.6
281.24033	0.4
282.24268	0.2
458.43259	0.2
504.31122	0.6
505.31525	0.3
507.31989	0.3
581.26685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.0
61.98835	6.9
70.35829	2.4
71.01388	5.9
75.00883	1.2
75.56915	0.8
78.95924	1.2
79.59364	0.8
79.95738	7.2
80.96528	3.5
83.01382	0.7
85.02937	3.9
89.02460	0.7
95.95246	2.8
96.96014	100.0
97.02924	0.9
99.00877	1.1
100.71094	0.7
101.02411	1.2
103.00375	9.0
109.52801	0.7
113.02451	1.2
115.04004	1.1
129.01956	1.8
133.01503	0.8
134.97580	0.8
138.97112	1.1
150.97040	0.8
152.98613	2.1
159.02908	1.5
164.98616	1.8
168.98003	0.9
169.34782	0.7
176.98634	1.3
177.04088	4.8
180.98096	0.8
185.92125	0.8
191.81422	0.9
194.99730	1.6
238.98618	4.8
241.00194	2.6
256.99734	25.6
262.32568	0.8
299.00803	5.2
495.19073	61.6
496.19553	5.2
516.68860	1.0
520.68365	0.8
537.20166	30.1
538.20123	2.4
539.69025	0.7
576.12708	0.9
581.19025	35.4
581.26086	1.5
581.33502	3.2
582.19476	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	581.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	2.2
59.01389	20.0
61.98841	11.5
71.01393	7.6
78.95897	2.7
79.95762	5.8
85.02961	6.0
86.19512	2.2
88.82273	2.4
95.95267	2.5
96.96021	100.0
98.95602	9.8
103.00367	7.4
112.62583	2.3
115.00349	3.3
133.01393	2.7
147.84412	2.4
176.98618	4.0
185.60460	2.5
202.40630	2.9
238.98665	8.6
256.99844	13.4
299.00748	7.5
415.23294	3.2
495.18369	17.2
537.19904	54.1
538.20294	4.5
563.17712	2.9
581.18634	31.8
582.19354	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67283	0.5
55.36902	0.6
59.01383	3.8
59.01625	0.7
62.70889	0.6
62.85833	0.5
63.96248	1.3
70.84061	1.6
71.01383	6.7
72.99306	0.6
73.02946	1.6
78.95889	2.9
78.98595	6.0
79.34591	0.6
79.95736	9.5
80.96519	60.3
81.03426	0.6
85.02952	2.4
87.00864	2.2
87.89482	0.7
87.99117	0.6
94.98094	14.3
95.01402	0.5
96.96037	1.7
97.02982	1.1
101.02421	3.3
106.98069	2.1
113.02426	0.6
113.63882	0.5
122.97580	3.8
125.02446	2.4
127.03973	0.7
134.97569	4.7
136.99132	1.1
148.99161	6.2
150.42784	0.6
152.98615	5.8
157.90590	0.5
164.98640	10.8
182.99678	2.1
206.99725	3.3
224.06929	0.6
224.98611	1.2
225.00737	16.1
243.01738	1.2
255.23163	0.6
281.24716	2.6
283.26407	14.0
299.04434	2.6
508.34113	10.5
581.30017	100.0
582.30292	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	581.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70857	0.6
57.03452	1.3
59.01094	1.1
59.01380	16.7
61.98827	1.2
66.44920	0.6
66.68323	0.6
69.03441	0.9
69.43163	4.9
70.78064	0.5
71.01386	6.1
72.99295	1.0
73.02957	2.7
75.00874	1.1
78.95898	0.6
79.95274	0.7
79.95740	12.5
80.96518	2.3
83.01379	0.8
85.02951	5.0
87.00879	0.9
89.02453	1.3
95.95244	9.0
96.12888	0.6
96.96014	100.0
97.02953	1.4
99.00863	1.4
101.02453	2.0
103.00362	7.5
113.02465	1.5
115.00356	0.7
115.03991	0.7
124.58376	0.5
126.29163	0.5
127.05113	0.9
128.03526	1.5
129.01959	1.8
133.01399	0.8
134.05299	0.6
138.97006	0.8
145.06168	1.6
149.04529	0.6
150.97069	1.1
152.98631	2.7
159.03018	1.0
164.98616	1.6
165.00072	0.6
176.98625	1.6
177.04054	4.0
180.98125	1.1
191.01964	1.8
194.99686	1.2
203.48772	0.6
209.03076	1.4
225.00716	3.7
228.08598	0.6
231.15956	2.0
232.16260	1.3
238.98645	3.7
241.00252	3.4
243.26097	0.6
256.99762	23.4
264.36386	0.6
285.04028	0.7
299.00717	3.9
304.37057	0.6
477.17682	1.1
495.19101	53.7
496.19507	2.8
521.33069	1.6
537.20190	35.4
538.19965	3.0
563.18359	0.7
581.19055	35.2
582.19196	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	581.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79455	0.9
57.03448	4.1
59.01385	15.8
61.98838	7.8
68.99794	1.1
69.37217	2.0
69.37621	7.8
71.01398	9.1
72.99306	1.4
73.02952	1.9
75.00868	2.2
78.95919	2.0
79.95730	7.5
80.96541	3.3
82.96597	1.1
83.01372	1.1
84.02158	1.6
85.02954	39.0
89.02446	1.3
95.95243	3.5
96.96019	100.0
97.02987	1.7
98.19844	2.0
99.00883	2.1
101.02441	2.2
103.00387	8.7
109.02921	1.2
111.00853	2.3
115.00388	1.2
129.01912	3.5
133.01457	2.1
133.03026	1.4
143.13916	1.2
147.03000	6.6
152.98651	1.9
154.61240	1.1
164.98709	1.2
177.04025	4.9
177.91409	1.2
178.02675	1.3
191.01985	17.9
209.03027	3.9
238.98705	4.0
241.00243	3.0
248.75450	1.1
256.99734	24.9
299.00861	2.6
320.49942	1.0
343.95334	1.3
347.40143	1.1
410.79129	1.3
439.71597	1.3
495.19034	58.9
496.19382	4.5
499.72006	1.8
537.20093	28.8
538.20459	2.1
563.18103	1.6
581.18903	29.0
582.19348	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	581.1824
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01370	1.2
70.92930	1.7
70.93248	1.5
71.01376	1.4
78.95904	100.0
80.97501	1.0
96.96006	1.3
96.96957	4.7
99.92597	12.4
100.93348	2.8
115.92073	38.1
116.92155	1.4
116.92867	31.5
117.92848	1.6
121.68550	1.1
130.15913	1.2
134.34042	1.0
150.98006	5.0
152.99597	28.8
155.95282	2.0
164.90512	2.0
171.00620	12.3
172.95468	8.2
178.88461	10.7
179.89218	38.8
180.90027	28.8
181.90773	2.3
193.95840	1.1
194.87907	2.4
196.89484	55.4
197.89520	1.5
205.90846	5.5
206.91475	4.2
208.89502	2.5
219.92354	1.5
221.90283	3.1
234.91040	2.4
235.91884	11.7
236.92609	31.3
237.92819	1.2
245.04271	4.0
249.51828	0.9
252.92053	3.3
253.21768	1.2
270.93121	3.6
276.95706	3.8
277.35312	1.4
278.93588	5.1
281.24780	1.3
292.95303	3.4
309.95486	2.5
310.96286	8.1
466.40302	1.3
473.13971	7.6
481.26248	2.9
490.14349	7.8
533.16345	4.3
545.16071	7.3
563.17334	8.0
564.18115	1.8
581.18231	88.3
582.18427	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	581.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.7
59.01381	22.0
61.98835	28.4
69.54787	6.3
69.55196	7.6
71.01382	10.2
73.02402	1.8
78.95937	2.0
79.95749	14.6
80.96513	3.9
83.01388	2.7
84.02174	2.2
85.02954	50.5
88.98843	2.5
95.95261	4.4
96.96013	100.0
98.19881	3.1
101.02440	2.7
103.00368	7.3
111.00864	3.4
111.03564	2.0
113.02503	3.9
115.00367	6.0
129.01932	5.0
133.01448	4.6
133.02922	4.2
134.01749	2.1
135.04449	2.5
147.02998	6.1
164.98611	4.3
173.00963	2.2
174.72388	2.0
177.04034	3.8
178.02754	2.5
191.00700	1.9
191.02007	22.6
195.83414	2.2
215.94926	2.1
238.98669	2.5
247.95973	2.5
256.99710	15.1
297.43170	2.2
345.17023	2.5
495.12244	3.6
495.19098	58.2
496.19376	7.2
516.66449	2.3
537.20197	36.9
538.19849	2.4
581.18921	31.5
581.26440	4.5
582.19147	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	581.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17337	0.5
55.17109	0.6
59.01380	1.3
59.71027	0.5
71.01386	20.3
71.60038	0.7
72.99318	1.7
78.95929	1.2
79.93853	0.6
80.99656	0.5
82.40185	0.5
83.21794	0.5
85.02974	2.8
87.26840	0.5
89.02451	1.0
93.03452	0.8
96.96012	1.3
115.00377	29.8
115.51711	0.5
116.00720	0.7
116.07178	1.3
117.03496	1.2
119.05032	65.8
120.05367	2.0
121.02960	0.7
133.01436	55.4
134.01752	0.7
134.03775	1.2
136.98582	2.4
142.16966	0.5
145.02953	5.5
149.42525	0.6
154.99649	2.5
163.04016	100.0
164.04369	1.7
165.01913	0.7
178.02678	0.6
185.02208	13.4
191.01950	1.1
193.05070	1.7
195.06627	1.0
257.04352	18.2
279.05115	9.2
301.03305	30.0
302.03790	1.4
329.05185	1.0
349.06854	3.7
421.07770	0.9
465.07877	1.0
555.70819	0.6
576.94659	0.6
581.17395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88002	0.5
59.01377	0.6
64.41644	0.5
67.08005	0.4
71.01385	21.3
71.59723	0.7
72.99297	2.8
87.00883	0.6
89.02460	2.0
92.84139	0.4
93.03448	0.6
96.96033	1.9
115.00376	49.0
117.03485	2.0
117.06596	0.5
117.29063	0.5
119.05032	68.6
120.01245	0.6
120.05356	1.4
121.02940	0.9
133.01439	100.0
134.01765	1.4
134.03757	1.9
136.98564	4.7
137.41055	0.5
138.09694	0.5
145.02942	8.9
149.02469	1.4
150.03238	1.2
151.91563	0.5
154.99637	5.0
163.04013	71.9
164.04350	2.4
165.01930	0.6
165.05544	0.9
181.05046	0.7
185.02197	21.8
193.04933	0.6
195.06656	0.7
208.03775	0.9
211.06096	0.5
213.05582	0.8
223.06085	2.4
246.86380	0.5
257.04321	24.6
258.04736	0.8
259.02261	0.6
271.02570	2.3
272.02814	1.3
273.02942	1.2
279.05081	6.6
299.01880	2.8
300.02338	2.1
301.03284	55.3
302.03629	3.0
319.04178	0.8
335.11279	0.6
349.06927	2.1
400.80466	0.5
417.04352	0.9
419.13177	1.4
448.09296	1.4
449.09677	0.6
465.07846	1.3
580.13928	0.5
581.14252	4.2
581.26355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68901	0.6
58.51620	0.6
59.01381	18.5
62.96410	0.7
64.51115	0.5
71.01403	0.8
71.37585	0.7
71.37930	0.7
78.38158	0.5
78.95911	22.8
78.96372	1.1
79.49696	0.5
80.96519	4.7
94.98112	1.3
96.96971	1.0
99.92570	0.6
113.24850	0.5
115.92119	1.3
116.92883	0.6
152.98552	0.7
152.99617	3.5
168.04283	4.0
179.89270	1.2
180.89931	0.8
194.08260	0.5
196.89488	1.2
222.52286	0.6
224.06961	8.0
225.00801	0.8
229.15819	0.5
236.92548	1.0
242.07999	2.7
257.94418	0.6
280.82367	0.7
281.24860	100.0
282.25211	5.5
506.32516	65.7
507.32813	5.2
580.28949	7.2
581.18176	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	580.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.1
61.98825	0.4
65.57708	0.2
71.01382	0.3
71.31390	0.3
75.10355	0.2
78.95906	6.7
79.95736	0.5
80.96520	3.5
94.98074	0.5
96.96008	0.4
99.92510	0.2
115.92062	0.5
116.92896	0.3
122.97691	0.3
134.97543	0.2
152.99612	1.3
164.98611	0.5
168.04294	1.1
179.89232	0.5
180.89989	0.4
191.67926	0.2
196.89449	0.7
224.06895	0.7
225.00755	0.7
236.92632	0.6
242.07976	2.5
281.24854	100.0
282.25177	6.2
340.10748	0.2
340.15152	0.3
410.53613	0.2
506.32495	30.3
507.32870	3.0
544.19586	0.2
580.19623	0.4
580.28748	5.5
581.18292	1.4
581.28729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47896	0.8
56.63114	0.7
58.02976	6.9
59.01379	0.9
63.01649	0.7
71.01388	3.8
71.59661	0.9
72.00893	1.2
74.02480	14.8
81.04590	1.0
85.02952	0.8
86.02480	6.0
86.99139	0.9
87.05637	2.1
89.14822	0.8
90.00199	0.8
96.96009	1.3
97.04070	1.7
99.05638	9.7
100.00398	0.8
101.07219	1.7
102.05619	1.8
102.58165	0.7
105.33791	0.8
108.03364	0.7
109.04077	2.2
109.07722	0.9
111.05670	0.9
115.00374	6.7
116.01713	0.9
119.05033	13.4
123.05605	1.0
124.03957	0.8
125.03585	1.1
127.05123	2.8
128.03543	32.5
133.01440	13.6
135.05623	3.7
141.06688	2.4
143.04636	42.7
143.97754	0.7
144.05002	1.3
145.02971	0.9
145.06227	2.0
146.04558	3.8
153.06706	3.2
155.08208	1.0
160.00728	10.6
163.04008	16.4
166.09897	2.0
167.04619	3.0
167.08302	1.8
170.85399	0.9
171.04198	1.0
177.03389	3.3
179.03194	0.9
179.04633	10.3
181.06119	1.4
181.08688	0.9
184.10861	1.3
185.02240	2.4
185.05760	1.7
197.05560	1.3
210.08846	9.7
216.23975	0.7
224.10185	0.7
254.07828	13.0
257.04227	3.0
272.08878	23.5
273.09143	1.4
279.05118	1.6
288.06717	7.0
301.03241	7.0
306.07654	100.0
307.08081	3.4
313.11993	0.8
316.09421	0.8
446.10736	0.9
451.17401	0.8
498.83755	0.8
580.21857	6.0
581.15424	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01907	0.5
59.01385	4.9
61.98830	2.5
63.96229	1.0
69.03439	0.6
69.55521	4.0
71.01385	7.5
71.06557	0.6
72.99321	0.6
73.02943	1.7
78.95908	6.7
78.98595	5.6
79.95736	10.7
80.96519	63.1
81.03463	0.6
81.58443	0.5
85.02946	3.7
87.00874	2.2
94.97471	0.8
94.98093	16.1
96.96011	8.1
97.02957	1.4
101.02433	2.8
106.98122	2.7
109.02931	0.6
122.97574	3.3
125.02421	2.9
127.04028	0.6
134.97580	4.9
136.99146	1.1
148.99139	6.1
152.98582	5.0
152.99582	1.0
164.98627	10.4
169.13029	0.5
194.90135	0.9
206.99765	2.6
224.06931	1.2
225.00748	13.6
245.04291	1.8
255.12727	0.6
279.23285	2.1
281.24850	22.6
296.00784	0.6
299.04529	3.0
481.25476	1.2
506.32504	14.6
579.28424	100.0
580.28796	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	579.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.7
69.31590	12.9
78.95904	11.7
96.96966	1.9
98.20691	2.8
115.40901	1.4
152.99620	14.4
162.10413	1.5
165.09261	1.7
171.00583	2.0
197.11728	1.7
227.03427	1.5
245.04356	2.6
271.02441	1.8
289.25192	1.8
299.02039	3.9
333.24365	100.0
334.24658	4.9
351.25412	33.8
579.15021	2.2
579.29504	44.4
580.29718	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	579.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12736	0.1
59.01366	0.2
61.85533	0.1
61.98833	100.0
62.98523	0.2
69.34572	1.1
78.95918	0.5
81.72993	0.1
92.43647	0.1
140.11374	0.1
142.07253	0.1
152.99614	0.4
157.50409	0.1
190.14560	0.1
263.37979	0.1
277.21704	2.2
277.24661	0.2
278.22098	0.9
279.22549	0.4
280.22766	0.3
293.36334	0.1
502.29672	0.6
505.30597	0.4
551.15466	0.1
559.56696	0.2
579.30603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89685	0.1
52.28657	0.1
58.40821	0.1
59.01374	0.3
59.09137	0.1
60.77937	0.1
61.98834	100.0
68.82971	0.1
70.62481	0.3
70.62872	0.2
78.95898	0.6
84.29208	0.1
116.95360	0.1
125.06133	0.1
128.45013	0.2
152.99597	0.5
154.07065	0.1
200.34465	0.1
221.64760	0.1
236.67473	0.1
277.21741	1.2
278.22150	0.4
279.22531	0.3
280.22791	0.2
299.01868	0.2
333.47803	0.1
436.57376	0.2
438.91409	0.2
502.29233	1.2
504.29596	0.3
505.30591	0.4
552.29449	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	579.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22239	0.7
59.01382	100.0
62.20036	0.8
63.82779	0.7
69.30500	8.0
69.30823	1.0
71.01359	1.6
72.91459	0.8
93.03453	1.5
96.96007	1.5
107.01405	1.2
113.20702	0.8
115.00378	1.7
116.02628	0.7
121.02964	2.0
126.90482	4.6
133.01425	1.3
151.00327	1.0
169.06612	2.1
175.04021	1.7
183.04539	2.1
185.06117	1.7
186.06389	1.3
187.04079	1.1
189.05573	1.2
190.06284	1.4
211.03934	1.6
211.31499	0.9
213.05435	2.6
214.05771	1.6
222.05415	1.3
223.36618	0.9
227.03493	3.4
228.03854	1.7
243.03032	0.9
255.02957	16.6
256.03329	15.2
257.03531	13.4
258.04535	1.0
267.06570	1.2
269.08215	1.7
281.08215	2.0
283.02487	29.4
284.02835	25.3
285.03778	51.4
286.04373	39.5
287.04605	39.7
288.04718	1.3
294.09018	1.6
297.07721	7.8
308.10602	1.9
309.07651	11.4
309.11279	4.1
312.10043	10.0
323.09186	2.5
324.10046	11.8
325.10522	1.3
327.12387	43.2
328.12643	3.5
339.12381	37.9
340.12668	2.5
430.08759	2.8
431.09738	16.2
432.09937	26.3
433.10391	49.2
434.10477	1.8
579.16162	46.2
580.16565	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24636	0.7
54.30813	0.6
59.01384	100.0
64.45769	0.6
69.88998	3.1
71.01392	3.2
73.02954	0.9
85.02967	1.5
87.00905	1.0
89.02450	1.1
96.95999	3.9
97.52721	0.9
101.02454	1.1
113.02436	1.2
113.28953	0.6
115.00402	2.7
121.02993	1.8
133.01448	4.5
143.03465	0.7
161.04535	0.8
175.02585	0.8
175.04037	2.8
190.06386	1.0
224.27579	0.8
239.07100	0.9
241.66516	0.7
253.08810	0.9
255.03201	1.7
255.12166	0.8
257.03537	1.3
263.07349	2.0
267.07129	0.9
269.08197	2.0
271.02618	1.6
275.07104	0.9
279.06677	1.2
280.07147	0.7
281.08264	2.9
283.02634	1.8
283.09756	1.0
284.02936	1.6
285.03946	3.8
286.04398	2.4
287.04764	1.9
291.06784	1.0
293.08173	1.0
294.08914	1.7
297.07626	9.8
297.10876	1.1
299.02069	2.8
301.03516	1.3
309.07797	14.9
309.11447	3.6
312.10031	12.1
323.09302	3.3
324.09995	11.4
327.12378	48.2
328.12726	3.3
339.12372	46.8
340.12769	3.3
343.21329	1.1
399.20282	0.8
431.09647	1.1
432.10165	1.1
433.10590	2.8
446.08267	1.5
463.26260	0.8
464.15076	1.4
493.18036	1.6
519.31915	3.9
579.14923	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	579.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58645	0.6
59.01387	14.0
61.04438	0.7
61.98835	4.3
68.68922	0.6
69.03455	1.2
71.01387	5.7
71.60573	0.9
72.99308	1.8
73.02963	1.5
75.00877	0.7
75.83988	0.5
78.95901	0.6
79.95745	9.5
80.96522	4.0
84.02148	0.7
85.02958	3.9
86.82549	0.7
87.00919	0.7
89.02458	0.8
95.95247	2.9
96.96016	100.0
97.02959	2.2
99.00908	1.4
100.62206	0.7
101.02483	1.7
103.00378	7.9
105.03503	0.7
110.71674	0.6
113.02458	1.6
115.00403	1.9
129.01961	1.7
133.01453	0.8
133.02980	5.2
134.03766	2.0
134.97510	0.8
137.02457	1.5
138.97116	0.7
150.97095	0.9
152.98680	2.0
159.02989	1.0
164.98621	2.4
176.98686	3.3
177.01929	4.1
177.04071	3.5
178.02742	4.3
194.99738	1.1
235.17012	1.3
238.98682	10.4
241.00267	1.5
256.99725	16.4
271.02478	1.4
285.04102	0.8
299.00757	10.1
327.16010	1.8
343.00024	1.5
345.17093	1.3
413.21957	1.9
419.21109	1.4
446.08328	1.0
455.22806	1.5
493.17429	17.3
494.17963	1.3
535.18561	57.3
536.18915	5.4
561.16913	1.8
579.17719	25.8
580.18164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24636	0.7
54.30813	0.6
59.01384	100.0
64.45769	0.6
69.88998	3.1
71.01392	3.2
73.02954	0.9
85.02967	1.5
87.00905	1.0
89.02450	1.1
96.95999	3.9
97.52721	0.9
101.02454	1.1
113.02436	1.2
113.28953	0.6
115.00402	2.7
121.02993	1.8
133.01448	4.5
143.03465	0.7
161.04535	0.8
175.02585	0.8
175.04037	2.8
190.06386	1.0
224.27579	0.8
239.07100	0.9
241.66516	0.7
253.08810	0.9
255.03201	1.7
255.12166	0.8
257.03537	1.3
263.07349	2.0
267.07129	0.9
269.08197	2.0
271.02618	1.6
275.07104	0.9
279.06677	1.2
280.07147	0.7
281.08264	2.9
283.02634	1.8
283.09756	1.0
284.02936	1.6
285.03946	3.8
286.04398	2.4
287.04764	1.9
291.06784	1.0
293.08173	1.0
294.08914	1.7
297.07626	9.8
297.10876	1.1
299.02069	2.8
301.03516	1.3
309.07797	14.9
309.11447	3.6
312.10031	12.1
323.09302	3.3
324.09995	11.4
327.12378	48.2
328.12726	3.3
339.12372	46.8
340.12769	3.3
343.21329	1.1
399.20282	0.8
431.09647	1.1
432.10165	1.1
433.10590	2.8
446.08267	1.5
463.26260	0.8
464.15076	1.4
493.18036	1.6
519.31915	3.9
579.14923	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	579.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06141	0.7
54.56195	0.8
56.41553	0.6
57.03433	0.8
59.01095	1.3
59.01383	17.5
61.98837	4.2
69.03439	1.0
71.01385	7.9
71.31743	1.4
72.99312	2.2
73.02970	1.2
74.22047	1.0
75.00909	1.4
78.95894	1.4
79.95750	9.5
80.96522	3.7
85.02956	5.2
87.00861	1.0
87.90125	0.8
89.02460	1.4
95.95248	4.4
96.96018	100.0
97.02972	2.5
99.00867	1.4
101.02449	3.2
103.00396	8.7
111.00864	1.0
113.02473	1.2
115.00381	1.4
115.04060	0.8
117.12199	0.8
129.01984	0.9
131.49985	0.8
133.01472	1.3
133.02954	2.7
134.03748	2.0
134.97536	1.3
137.02454	1.2
141.01768	1.1
152.98608	1.3
159.02988	1.0
164.98627	2.8
171.17023	0.7
176.98659	4.0
177.01964	2.7
177.04054	2.2
178.02681	3.5
194.99713	1.2
221.08243	0.9
228.17525	0.8
235.17102	1.9
238.98685	10.0
241.00249	1.2
256.99738	12.7
271.02466	1.9
299.00714	10.2
323.34921	0.8
394.94305	0.7
413.21796	3.5
446.08765	1.5
455.22739	8.1
456.23221	1.0
463.19699	1.2
493.17264	14.2
494.17938	1.2
535.18536	58.6
536.18835	4.7
561.16608	1.1
579.17621	24.7
580.17725	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.3
61.98827	1.7
64.29398	0.9
64.33599	1.0
71.01385	3.1
71.11201	2.2
79.95714	2.4
89.02457	1.4
95.95214	2.7
96.96017	100.0
115.00347	1.4
119.05033	8.3
127.77165	1.0
133.01413	5.8
156.92651	1.0
161.64413	1.1
163.04018	15.1
228.40062	1.0
228.62642	0.9
256.87289	1.0
283.02399	3.0
295.54266	1.1
306.07574	4.9
536.90814	1.1
580.08264	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	579.1725
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
56.36827	0.9
57.03453	1.0
57.97583	1.2
58.37088	0.9
59.01386	5.6
61.98831	1.4
63.02409	2.6
65.00328	12.8
69.61971	6.9
71.01378	3.6
83.01395	9.3
85.02960	2.9
89.02452	2.2
90.37807	1.0
93.03463	7.7
96.96017	20.6
101.02464	2.3
101.12946	1.1
107.01397	26.3
108.02202	1.2
113.02494	1.2
115.00368	3.0
117.03414	1.5
119.05032	43.7
120.05384	1.6
121.02966	3.9
125.02438	4.7
128.03546	2.2
133.01433	3.1
143.04733	3.1
145.02975	5.4
147.02928	1.2
151.00378	100.0
152.00792	1.7
161.06122	1.0
164.01096	1.6
165.00179	7.1
165.01953	3.8
167.01706	1.5
169.01427	2.3
171.10178	1.2
175.00369	2.4
177.01990	7.7
180.99655	1.8
185.06082	3.0
187.04027	3.0
193.01407	2.2
196.00081	1.1
208.99294	1.1
209.04558	2.3
209.11838	2.0
219.26414	1.1
227.07150	3.3
235.02460	1.7
255.02998	1.8
270.05234	1.5
271.03030	3.1
271.06113	63.8
272.06451	2.4
272.09058	1.7
283.02325	1.4
284.02994	2.3
285.03934	6.0
286.04172	1.4
299.02002	7.8
301.03534	2.1
306.07675	3.7
307.06555	2.0
313.07297	2.7
343.21228	4.9
346.41852	1.1
417.15445	2.0
429.09283	1.4
431.10461	1.5
446.08621	2.5
459.11536	20.7
460.12064	2.0
519.31964	4.2
537.33044	1.1
554.36896	1.1
579.17236	95.3
580.17291	8.9
588.96460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.6
61.28901	0.5
61.98834	28.6
63.99263	2.9
64.94709	0.6
68.36566	0.5
69.41348	5.4
71.01396	3.7
78.95911	5.4
78.98598	2.6
79.70477	0.7
79.95747	4.2
80.96523	30.8
82.96101	1.5
85.02945	0.8
87.00892	1.5
94.98099	7.8
97.02937	0.8
98.19945	1.6
106.98148	1.5
122.97547	1.5
125.02480	1.2
134.97571	2.0
136.99092	0.6
148.99123	2.4
152.98616	1.8
152.99690	0.9
163.05423	0.6
164.98672	4.8
165.99020	0.7
168.04277	1.7
183.64951	0.8
206.99721	1.1
224.06865	1.1
225.00769	4.7
226.01096	1.3
234.48366	0.7
242.07912	3.1
279.23297	100.0
280.23633	5.8
504.31015	31.0
504.38684	1.2
505.31516	3.9
578.27234	45.4
579.27087	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	578.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	1.3
59.01386	20.4
71.01355	1.4
71.37763	1.4
73.68056	0.7
78.95911	19.5
78.98587	0.9
79.95745	2.0
80.96523	10.1
94.98102	1.3
134.97551	1.1
152.99602	3.3
164.98668	1.4
168.04318	3.2
224.06914	9.4
225.00777	1.5
242.07927	2.0
279.23303	100.0
280.23648	5.9
369.95627	0.8
504.30991	68.6
505.31393	5.5
506.66464	0.8
578.27350	19.3
579.27185	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1357
Annotation	Quercetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
69.04478	0.8
74.35893	0.8
98.19887	3.2
122.91315	0.8
147.00897	0.8
151.00359	3.7
171.04552	1.1
172.00401	0.8
199.03946	3.6
201.02029	1.2
215.03468	2.1
220.49876	0.9
227.03455	2.5
229.56120	1.1
243.02950	4.2
255.02997	2.5
271.02490	51.3
272.02814	2.7
299.01996	100.0
300.02591	11.0
301.03561	23.0
302.03903	1.5
325.16904	0.8
433.07751	9.5
446.08557	40.8
447.09338	14.1
448.09677	0.9
579.13586	74.4
580.14014	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	579.1355
Annotation	Leucoside
Peak:m/z	Relative Intensity
59.01374	0.6
61.90231	0.5
63.02384	0.6
69.47996	4.0
73.94484	0.6
75.28936	0.5
85.02926	1.0
95.95231	2.4
96.96016	5.2
109.02916	0.7
115.00374	1.0
117.03473	0.7
133.01384	1.1
141.03407	0.6
151.00368	1.5
165.01970	0.6
183.04497	2.8
193.04958	0.8
211.04079	1.7
227.03488	5.3
255.02995	42.8
256.03412	2.4
283.02487	100.0
284.03122	13.2
285.04050	38.2
286.04431	2.0
297.04022	0.7
327.05145	0.9
342.37057	0.6
417.08289	35.5
418.08679	3.1
446.08542	27.7
446.15048	0.8
447.09073	5.2
459.09308	4.4
579.13666	51.5
580.13934	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05433	1.2
59.01386	13.7
71.01369	2.6
71.60779	1.7
74.30750	1.3
89.02425	3.0
96.79671	1.1
101.02423	2.0
113.02396	1.4
121.57455	1.2
160.88889	1.3
202.80333	1.2
203.62987	1.2
253.09265	12.9
281.24869	100.0
282.25345	5.4
551.95001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4237
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
59.01367	1.4
64.95222	0.8
67.05658	0.8
71.60583	1.3
78.95926	0.9
80.50642	0.7
85.27133	0.8
88.06290	1.0
88.50886	0.8
144.19565	0.9
166.75890	0.8
221.60905	0.9
259.20993	0.9
277.21725	100.0
278.22070	5.8
473.46863	0.8
541.94141	0.9
577.42432	53.5
578.42535	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	578.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78209	0.7
61.98831	6.7
69.31500	6.8
71.01380	11.6
72.37940	0.8
72.99310	2.6
89.02441	1.8
113.13998	0.9
115.00372	25.8
117.01990	1.3
126.38517	0.9
133.01443	100.0
134.01836	1.4
134.03706	1.3
135.04533	21.6
136.13043	0.9
150.04196	1.0
179.03499	24.3
180.03825	1.0
182.38321	0.8
190.46030	1.0
196.68459	0.8
204.34988	0.9
207.09875	0.9
234.99239	1.4
238.97057	1.6
267.96460	0.9
278.94553	0.9
291.76019	1.0
294.97452	1.6
295.04556	4.0
350.77130	0.8
433.07684	0.8
455.97119	0.9
460.02786	2.4
533.61670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.5
61.98828	1.6
62.96420	0.4
70.74393	0.9
72.70025	0.4
78.95908	100.0
85.33816	0.4
96.95972	1.3
96.96967	24.2
107.03635	0.8
115.00360	0.6
116.05061	0.7
116.15475	0.4
117.57139	0.6
134.04720	14.1
138.97995	1.2
147.88722	0.4
150.98029	2.7
192.99081	1.9
211.00136	1.5
275.71591	0.5
283.02481	0.4
284.50195	0.5
286.04401	0.6
299.02014	0.6
328.04700	2.4
346.05579	64.9
347.05780	2.7
359.52838	0.5
578.23712	5.0
579.23474	0.7
602.06104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1567
Annotation	Kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
59.01137	3.4
59.01386	40.9
60.99079	3.0
61.98834	18.4
68.91082	2.9
71.01377	10.6
71.59930	3.2
71.60342	5.4
74.21007	3.3
79.95746	6.4
85.02937	8.8
89.02432	4.5
95.95213	4.9
96.96021	56.8
101.02440	7.7
103.00407	3.8
113.02402	5.4
116.05099	3.5
133.01390	4.2
158.36209	3.2
164.98563	5.9
189.10130	3.6
191.01910	6.3
196.95392	3.6
255.03006	29.7
256.03729	3.8
283.02475	61.2
284.03046	4.5
285.04044	100.0
297.03979	4.8
316.76843	3.7
414.09320	5.1
415.10138	3.8
430.09109	13.5
431.09851	64.2
432.10007	6.0
491.15961	31.7
517.30133	6.3
533.16895	19.3
533.29523	5.0
535.31018	6.0
577.15936	57.9
577.31781	19.2
578.15765	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01917	0.4
59.01390	2.1
61.40698	0.4
61.98823	0.4
63.77000	0.4
63.96252	1.0
69.03459	0.6
70.28620	1.0
71.01389	6.7
73.02953	1.4
78.95912	1.3
78.98601	5.9
79.95741	9.3
80.96522	67.9
81.03452	0.9
83.01386	0.4
85.02944	2.3
87.00878	3.1
94.98090	16.4
95.01405	0.4
96.96026	1.4
97.02955	1.5
99.00903	0.5
99.11628	0.3
101.02457	2.6
106.98087	3.2
113.02487	0.5
119.00363	0.4
122.97601	2.4
125.02469	2.4
127.03981	0.6
134.97607	4.7
136.99133	1.1
146.97507	0.4
148.99139	5.5
152.98636	5.1
164.97269	0.7
164.98628	10.7
176.98413	0.3
206.99680	2.2
224.07158	0.5
224.98618	0.7
225.00760	12.7
268.54645	0.4
277.21722	1.5
279.20398	0.6
279.23285	4.6
299.01578	0.4
299.04376	2.5
308.61313	0.4
319.87540	0.4
364.90765	0.4
386.06348	0.5
497.61115	0.5
504.30984	3.1
577.26880	100.0
578.27222	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	577.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15178	3.3
53.86644	3.5
59.01387	43.1
61.98821	17.5
63.41239	3.4
70.51514	4.6
71.01392	19.1
73.02972	6.4
79.95737	16.2
80.58672	3.2
80.96515	5.1
85.02917	4.7
87.00883	4.1
89.02467	10.4
96.96013	100.0
97.06606	4.9
101.02452	8.8
103.00358	7.6
111.08170	5.6
113.02431	4.4
115.00420	8.0
116.05051	5.7
119.04989	4.1
121.07528	3.4
135.04547	6.2
143.07146	4.4
161.04500	4.2
164.98611	6.3
169.08678	22.1
171.10226	5.8
240.03731	6.4
241.00211	8.1
253.09317	28.3
255.03038	7.9
263.16507	9.0
269.04324	4.6
281.17587	39.6
283.02423	16.2
285.04050	21.6
297.04080	5.1
299.18658	8.9
341.23218	13.9
343.00711	4.1
381.39188	3.4
414.09149	6.7
430.08823	4.8
431.09879	18.1
471.93469	4.5
491.16095	16.5
517.30164	5.2
533.17017	37.1
535.22375	6.8
577.15527	58.6
577.32397	8.4
578.15192	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	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68173	0.3
59.01385	15.7
65.59320	0.2
78.95906	7.0
96.96967	0.4
98.19897	0.5
122.75784	0.3
152.99626	1.4
168.04272	1.6
224.06923	1.0
233.22786	0.5
237.74770	0.3
242.07997	3.1
244.27505	0.3
275.20319	0.5
277.21729	100.0
278.22052	5.7
383.31516	0.3
463.51498	0.3
489.91574	0.3
502.29440	31.1
503.29916	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	576.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05717	0.4
59.01383	24.3
61.98831	0.6
70.73893	0.8
70.74287	0.7
71.01383	0.4
78.95908	25.9
83.74798	0.4
110.39489	0.4
122.98494	0.4
127.07700	0.5
137.02393	0.5
152.99597	4.0
168.04305	3.8
173.86713	0.4
224.06941	10.2
233.22708	0.8
242.08044	2.7
259.20593	0.6
277.21725	100.0
278.22076	5.4
335.16281	0.4
458.22391	0.5
502.29416	67.6
503.29767	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	577.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13274	0.7
55.82688	0.7
70.22031	2.6
98.20531	0.6
117.03503	0.8
159.04507	0.8
169.06564	1.4
183.04509	1.0
185.06073	0.8
189.05650	1.1
211.03998	1.3
213.05621	2.0
215.03488	0.8
227.03520	2.3
229.05090	0.9
243.03085	1.0
255.02982	16.1
256.03409	1.2
257.04565	2.6
283.02478	64.0
284.03113	8.0
285.04050	100.0
286.04440	4.8
292.49854	0.7
314.88791	0.7
339.79105	0.6
430.09055	18.3
430.14886	0.9
431.09824	66.6
432.10312	4.8
577.15613	38.0
578.15851	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	576.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87107	0.3
59.01369	0.3
61.98834	100.0
64.45569	0.2
67.83156	0.3
70.05756	0.3
70.21156	0.6
71.01398	1.0
77.36298	0.3
78.77312	0.3
79.95753	0.7
80.96523	5.6
94.77233	0.3
94.98083	1.4
106.98132	0.4
122.97585	0.4
123.52643	0.3
133.00244	0.3
134.97792	0.3
138.86485	0.3
140.58972	0.2
146.29108	0.3
148.99150	0.5
164.85051	0.3
164.98662	0.9
225.00746	1.2
262.91461	0.3
277.21945	0.7
278.22278	0.8
279.22394	0.5
280.22476	0.4
393.17908	0.3
577.26886	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	576.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.5
61.98833	100.0
69.66846	2.6
75.52721	0.5
80.96525	1.4
80.99421	0.4
160.91594	0.4
166.78583	0.4
222.25215	0.4
277.21689	0.6
278.22061	1.0
279.22339	0.6
360.28168	0.5
558.31018	0.5
577.27094	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	575.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92883	1.7
57.49899	1.4
59.01384	13.4
61.31585	1.4
63.84414	1.6
69.38834	15.1
71.01374	2.1
89.02434	3.4
93.10223	1.7
98.20582	3.0
101.02467	3.2
113.02419	1.9
114.45217	1.5
173.38042	1.4
174.80725	1.8
253.09360	10.1
279.23282	100.0
280.23596	8.6
304.19550	1.6
345.91312	1.7
438.45813	1.8
499.62457	1.7
501.35614	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97560	1.0
58.42618	0.3
59.01380	0.9
63.96247	0.7
64.97018	0.6
69.37430	0.3
70.35263	1.1
71.01378	0.8
74.99098	14.8
79.95742	13.3
80.96512	1.5
84.79947	0.3
85.02930	1.8
95.95236	66.3
96.07149	0.3
96.96014	100.0
101.02435	0.4
101.74831	0.3
113.02459	0.4
114.94843	0.3
116.05036	1.0
121.95544	0.4
127.92438	0.4
128.93283	0.4
131.28299	0.3
138.97076	1.4
259.01276	2.1
274.98932	0.6
283.02689	0.4
285.03970	0.8
290.98453	2.1
300.11584	0.5
334.10086	0.5
383.05536	0.4
418.72775	0.3
576.11139	35.5
577.11420	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	575.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12146	1.0
53.33570	1.1
56.21288	1.2
59.01382	100.0
61.74062	1.0
61.98824	1.5
69.47982	6.9
161.54617	1.1
249.18677	2.4
266.01340	1.1
277.21820	2.9
291.19815	1.1
524.00299	1.2
540.13806	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95910	13.2
79.95720	1.4
110.98537	8.5
125.09739	2.3
127.11304	2.1
148.22537	0.9
152.99609	2.8
157.08644	1.1
167.01157	11.4
171.10275	100.0
172.10692	2.3
185.02173	2.4
201.17572	1.1
202.91826	1.1
253.21701	11.7
255.23341	2.4
339.12137	65.2
340.12354	2.9
423.25168	1.2
575.34448	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61253	0.9
51.36881	0.8
52.15089	1.1
53.95892	0.9
59.01382	14.3
69.43572	7.1
71.01393	5.2
73.02951	1.2
81.03473	1.3
85.02951	2.2
87.00883	1.0
89.02448	3.5
95.01382	1.3
97.44621	1.0
98.20696	1.6
101.02443	5.4
108.02184	52.4
109.02971	25.1
113.02467	1.6
119.03516	1.0
123.00852	1.4
123.04543	1.1
152.01161	35.4
153.01961	13.9
161.04509	1.1
208.27679	0.9
235.08197	2.1
253.09325	16.2
277.21884	1.7
279.23303	100.0
280.23566	6.5
398.60068	0.9
575.28638	57.9
576.28845	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	575.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67955	2.1
59.01374	6.0
60.99314	17.4
61.98818	4.0
67.30298	2.1
71.49577	2.3
75.93398	2.3
87.00846	5.7
87.61631	2.1
88.00409	17.9
88.04044	10.3
88.98814	98.1
89.02451	100.0
99.07711	2.2
148.90962	4.0
324.98154	3.2
392.59329	2.5
575.16962	5.1
599.32794	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	575.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84993	1.9
59.01377	5.2
60.99317	13.5
61.98819	4.8
62.37065	1.8
69.33485	8.6
69.33922	9.9
81.47621	2.2
87.00894	8.3
88.00396	17.3
88.04055	11.6
88.98814	83.1
89.02451	100.0
145.99173	2.0
148.90959	3.7
183.33046	1.8
196.93015	2.1
209.88478	2.6
249.18692	2.3
575.17291	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	575.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
60.87973	1.0
70.36629	3.2
70.37028	1.7
71.01382	1.8
78.95884	1.4
81.03469	2.1
85.02966	3.3
87.73692	1.2
95.01404	3.0
108.02181	100.0
109.02980	32.7
121.02912	1.4
123.00893	2.1
123.04524	13.9
126.84676	1.2
143.86626	1.1
151.04053	1.4
152.01161	64.6
152.99754	1.3
153.01971	18.7
153.05577	17.8
156.76439	1.2
163.03947	1.4
165.01913	1.3
255.10091	1.2
277.21729	3.8
279.23337	8.6
315.07016	1.6
331.47714	1.2
575.28619	93.7
576.28870	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	575.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30403	0.5
59.01374	1.0
63.02416	1.3
65.00346	1.5
65.62141	0.5
69.28106	4.8
69.48855	0.4
83.01404	1.5
93.03498	0.9
94.52321	0.4
96.96063	0.4
98.20567	1.0
107.01394	3.2
107.87283	0.4
114.91666	0.6
117.03484	0.9
135.00848	0.7
148.05316	0.5
151.00369	9.8
154.04344	0.5
155.05029	0.7
159.04546	1.4
164.01205	0.8
169.01407	0.8
169.06624	1.3
171.04572	0.8
183.04492	2.4
185.06079	1.3
187.03944	1.0
189.05499	0.6
191.03619	0.5
191.07100	0.7
211.03998	1.9
212.77090	0.6
213.05609	2.4
215.03537	0.7
227.03540	3.1
229.05103	1.2
241.05098	0.6
251.07114	1.0
255.02989	39.8
256.03363	2.3
257.04587	4.5
263.07141	0.7
266.05850	0.6
267.06665	1.6
279.06592	1.3
282.01788	0.6
282.08868	0.9
283.02484	100.0
284.03079	12.3
285.04053	52.2
286.04474	2.7
294.05365	1.2
294.08716	0.7
309.07657	1.9
322.08444	0.6
323.05493	0.9
325.07028	0.6
326.07922	0.9
327.04501	0.5
338.07965	2.1
341.10291	4.6
342.10321	0.7
353.10339	5.8
371.11346	4.2
429.08304	3.8
430.09021	26.0
431.03738	1.2
431.09796	50.8
432.10150	3.5
575.14044	52.9
576.14307	6.1
597.85510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75327	0.5
57.97563	0.6
59.01392	7.6
59.01675	0.6
59.53451	0.6
61.98853	2.1
67.98621	0.5
71.01385	5.4
72.99334	0.9
73.02978	2.0
74.02486	0.8
83.01414	1.4
85.02980	1.8
89.02483	1.0
93.03487	1.3
96.94508	0.5
96.96032	4.9
99.00923	0.9
101.02453	2.7
108.02139	0.6
109.02974	0.9
110.30573	0.5
112.90302	0.6
113.02486	2.0
115.00410	2.3
115.92186	0.7
116.05029	0.6
116.92908	1.1
117.03497	0.8
119.05029	0.7
120.01289	0.8
121.03004	0.7
127.05125	0.7
128.03563	1.2
133.01465	2.1
135.00938	0.8
135.04549	1.2
143.04866	1.3
145.03038	0.8
147.04562	0.8
150.03345	0.6
151.00432	1.5
154.04256	1.2
155.05115	0.7
159.04527	1.2
161.02496	0.7
165.01945	1.1
167.04984	0.7
169.06609	3.0
171.04480	0.6
173.02469	2.1
174.03218	1.6
179.03502	0.7
183.04518	1.5
185.06046	3.3
187.04065	2.5
189.05626	2.4
191.03511	0.8
193.05103	0.7
199.03946	1.3
211.04048	2.4
213.05603	3.7
214.02711	2.4
215.03542	1.8
227.03529	5.7
229.04988	2.8
239.03468	1.3
243.03033	1.8
251.07274	1.0
255.02986	24.0
256.03476	2.1
257.04550	2.4
263.07257	0.7
267.06659	2.4
269.04404	0.7
279.06659	1.1
282.08899	1.0
283.02505	43.5
284.03149	4.9
285.04062	100.0
286.04504	4.4
294.05377	1.4
297.04120	1.7
308.06592	0.6
309.07785	1.3
322.08664	1.1
323.05612	1.4
323.09134	0.9
338.07935	1.7
341.10297	5.6
342.10910	0.8
353.10297	13.4
371.11334	4.3
371.19824	0.6
395.11237	1.7
429.08261	1.9
430.09061	12.2
431.09836	65.3
432.10056	3.7
492.71439	0.6
575.13965	21.8
575.28400	2.0
576.14789	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	573.328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86313	9.5
59.01387	100.0
61.98822	36.2
71.01396	28.5
71.60093	16.4
77.86105	9.6
78.56393	10.4
78.95911	11.2
84.54134	9.7
89.02408	11.1
96.96037	30.4
101.02462	16.3
143.07124	27.3
152.91748	15.3
171.10277	21.7
183.10191	22.9
194.92587	11.4
211.13383	36.5
240.70326	11.3
374.50543	12.4
487.32407	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	575.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	11.7
71.49311	5.0
115.00359	29.2
119.05042	13.2
133.01450	100.0
135.04550	14.1
163.04018	26.1
168.65645	3.1
179.03522	10.0
296.03091	2.6
333.65622	2.7
479.21387	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	575.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
64.45665	1.6
68.95982	1.7
69.33253	6.2
69.33678	9.8
71.01383	10.6
86.95448	1.7
90.84823	1.7
98.99372	1.7
115.00379	27.4
119.05048	15.7
133.01439	100.0
135.04526	15.3
149.94832	1.7
160.81677	1.8
163.04007	26.7
179.03531	10.3
231.72597	1.6
235.39037	2.0
279.05048	2.4
323.67935	1.8
360.41626	1.7
521.68640	1.8
548.47504	1.9
578.82623	2.3
604.98096	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	572.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26118	1.0
56.06077	1.0
57.97560	1.9
58.02983	16.2
59.01372	2.9
61.98817	2.6
66.03497	2.9
71.01375	4.0
71.60214	1.6
72.00935	1.7
74.02478	30.5
76.32698	1.1
81.04597	2.7
82.02995	4.0
84.04516	2.6
85.04068	1.1
86.02472	11.7
86.06123	1.7
87.05653	5.6
88.04040	4.8
96.04561	1.9
96.96016	4.7
97.04069	3.3
99.05643	27.7
101.07212	4.0
102.05614	5.5
107.06148	1.3
109.04111	7.3
111.05637	1.9
112.04068	3.8
113.03590	1.4
115.00407	2.3
123.05626	1.8
124.04062	1.5
125.03574	5.1
126.04385	1.4
127.05153	5.6
128.03549	67.6
133.01393	2.8
133.03006	1.3
135.04607	1.8
135.05641	7.8
136.91202	1.1
137.07253	1.4
141.06720	3.2
143.04633	88.0
144.04976	1.4
145.06216	4.9
146.04585	8.8
149.45808	1.3
153.06699	6.7
155.08292	1.4
166.09892	4.9
167.04659	3.6
167.08284	8.2
170.03395	3.2
171.04103	1.6
179.03198	1.9
179.04642	29.1
179.06064	2.2
181.06203	3.3
185.05693	2.4
192.07855	2.6
197.05688	4.8
210.08853	22.3
228.10005	2.0
247.17152	1.5
254.04993	1.8
254.07819	62.2
265.18130	5.9
272.08896	76.7
284.16211	3.2
299.16888	13.3
368.17111	1.4
368.21643	1.2
406.45078	1.3
443.22235	11.4
451.27118	1.3
478.60657	1.6
554.25305	17.4
555.26154	1.5
572.26514	100.0
573.27051	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2888
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.14906	0.5
61.98837	3.5
69.28885	3.8
69.29309	1.3
77.05575	0.5
78.95908	68.4
87.28080	0.5
91.64607	0.5
96.96967	14.2
98.19736	0.5
133.83667	0.5
134.98543	0.8
147.79156	0.5
150.98015	1.0
152.99591	60.3
153.99800	0.6
223.00131	2.2
234.97469	0.5
240.98683	1.1
241.01199	28.6
255.23299	73.1
256.23630	3.5
259.02145	0.6
315.04849	9.1
373.17258	0.6
391.22513	5.7
409.23676	0.8
549.28986	0.5
571.28888	100.0
572.29279	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	571.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57500	3.2
59.01098	5.3
59.01384	100.0
61.98830	19.7
63.36283	4.2
67.34159	3.5
70.08836	15.0
71.01385	25.7
71.76862	3.4
73.02950	4.4
75.49835	3.0
78.95938	4.0
85.02953	11.1
89.02442	9.7
96.91913	3.0
96.96037	16.1
97.91573	3.3
101.02444	7.5
113.02463	8.4
115.00365	6.0
119.03532	4.6
125.87634	3.5
145.06180	7.5
161.04532	7.5
236.62587	3.2
275.20142	6.4
455.20306	4.5
455.26462	30.3
467.30225	15.6
485.31503	8.1
527.20673	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	571.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11045	0.6
58.63984	0.7
59.01381	3.8
61.98831	22.8
71.01385	24.6
71.60645	0.9
72.99323	1.5
84.04609	0.7
87.00847	0.8
90.78345	0.7
96.96011	5.7
99.92602	0.7
109.02957	11.3
109.04076	1.2
115.00379	37.1
116.05065	58.8
117.05416	1.8
121.02952	1.7
127.05133	5.6
128.03575	2.1
130.06630	2.3
133.01443	14.9
133.02942	1.0
134.03722	0.9
135.04529	66.9
136.04890	1.6
145.05042	1.0
145.06198	21.3
146.03658	1.2
146.04724	0.9
147.04529	22.5
154.06644	5.1
159.04536	1.5
166.06628	2.4
179.03496	1.8
182.08269	1.3
240.11133	0.9
245.10806	4.9
248.07260	1.5
257.10889	3.2
258.09262	2.4
261.07922	5.0
274.08722	1.7
276.10306	11.9
277.10422	1.0
301.13519	3.6
317.13000	1.1
327.12357	0.7
336.16913	2.7
393.16092	100.0
394.16437	8.2
437.15112	14.9
438.14963	1.1
485.20630	1.3
535.31433	1.4
553.16217	1.1
570.32080	1.4
571.34161	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.7
61.31091	1.0
61.98826	1.2
69.45931	2.6
69.46336	6.1
71.01383	2.9
74.02496	1.9
75.73626	1.3
93.03472	3.2
96.95982	6.2
99.05676	1.4
115.00382	2.9
116.92886	2.0
121.02972	7.1
122.03764	11.7
123.04535	5.4
124.88534	1.2
128.03525	2.8
132.02242	1.5
133.01416	4.3
133.02946	1.8
134.03683	1.2
135.04541	4.2
136.01689	2.2
143.04640	3.5
145.02957	2.3
146.03743	66.5
147.04407	4.2
149.02444	47.5
149.06020	1.7
150.03233	79.0
151.03897	3.6
154.08337	1.0
161.06100	19.5
162.03284	2.7
163.03964	1.4
164.04797	58.5
165.05577	84.2
166.05922	2.7
175.02693	1.3
175.04030	3.3
177.05536	3.2
179.07146	100.0
180.04303	6.0
180.07509	3.8
195.06638	66.2
196.06990	1.7
200.77071	1.0
208.50323	1.0
251.07021	1.3
254.07904	1.4
267.06668	1.8
269.08105	2.7
270.09015	1.6
272.08951	1.3
275.09256	1.5
285.04059	2.9
285.07458	1.6
295.05902	1.6
298.08386	2.4
298.11313	1.3
312.10043	6.5
313.10822	4.6
327.12369	25.9
328.09409	1.7
343.11890	57.0
344.12219	3.8
391.14075	5.2
485.16864	2.3
523.19751	24.6
524.20386	1.7
527.18353	1.3
548.35095	1.1
571.20642	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	569.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
63.11469	0.2
71.01391	0.6
71.59723	0.2
73.02953	1.8
79.95740	0.2
81.95338	0.3
85.02947	0.2
96.96012	1.7
97.94789	0.2
98.95617	0.9
99.00883	0.4
99.92589	8.7
99.93252	0.4
100.92599	0.4
101.02474	0.4
103.00375	0.3
115.00375	0.6
116.92867	100.0
117.01949	3.8
117.92865	3.9
133.01427	0.7
171.10271	1.2
365.98349	0.2
397.13342	0.5
435.16660	0.6
443.55341	0.2
483.14493	1.7
499.87405	0.3
525.15527	1.0
569.14783	1.1
570.15869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14204	0.7
71.01381	7.2
71.05015	1.6
72.99321	1.3
96.96011	3.4
98.19903	1.4
102.35742	0.6
105.03418	0.8
115.00381	17.6
121.02979	0.7
133.01447	24.3
133.02939	4.3
134.03801	0.8
139.02242	4.4
146.08218	6.7
149.02448	1.1
150.03204	1.0
163.99416	1.2
165.00166	20.1
165.05557	1.9
166.00902	2.8
167.01730	66.0
168.02043	1.2
177.01978	2.1
179.07159	1.6
180.99681	3.2
192.99634	4.3
195.06621	1.4
195.08325	0.8
210.05878	3.9
211.00760	3.2
237.02179	0.9
254.04930	9.9
264.07031	1.2
277.12280	0.7
281.09598	0.8
295.06143	3.3
308.05984	1.5
325.08691	2.9
339.04828	1.7
387.29550	0.7
391.59335	0.6
411.16052	8.0
437.13959	1.5
455.14938	100.0
456.15231	8.4
485.17023	1.4
527.18048	1.1
571.16583	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	568.25
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	14.6
70.11983	3.6
78.95905	10.7
80.17129	0.8
85.52055	0.9
98.17819	0.9
109.56372	0.8
118.16608	0.9
152.99585	14.3
170.23347	1.0
171.00604	1.5
175.06215	0.9
227.03255	3.0
245.04288	1.6
255.23302	100.0
256.23709	6.4
349.25726	0.9
424.58395	1.1
483.27353	49.7
484.27621	4.5
568.24994	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	569.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53179	1.0
56.23635	1.0
59.01382	20.8
61.98824	6.2
71.01385	8.9
71.60612	1.3
73.02940	3.1
79.95741	9.4
80.96526	6.2
83.01379	1.5
85.02937	4.3
87.00877	1.9
89.02451	3.4
95.95216	1.4
96.96020	100.0
101.02456	6.2
103.00389	7.7
103.42692	1.2
109.04136	1.2
111.60221	1.2
113.02441	2.7
119.03506	1.4
122.06134	1.5
127.05106	3.7
128.03542	2.9
133.01437	1.6
135.04437	1.4
135.29047	1.0
143.76752	1.1
145.06194	10.3
164.98636	9.3
223.17029	5.7
227.92393	1.2
241.18120	2.5
266.67838	1.4
310.51422	1.2
403.23276	5.3
445.24283	2.8
465.17972	3.0
483.19046	25.7
484.19092	1.9
525.20123	73.2
526.20203	5.7
551.17761	1.9
569.18860	24.9
569.32104	7.7
570.19226	2.4
587.69781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49129	0.9
59.01381	3.4
61.98837	4.4
69.40316	8.2
71.01385	9.8
90.22971	1.0
96.96030	3.9
115.00385	11.8
116.05070	100.0
117.05392	2.6
121.06569	1.2
132.05820	3.7
133.01413	7.6
133.06602	17.2
133.65689	1.0
164.04822	2.3
205.05063	11.1
211.13405	1.1
245.10835	87.1
246.11183	4.4
288.35538	1.0
333.14340	1.0
351.17450	1.1
407.17676	44.0
408.18124	4.9
440.32947	0.9
451.16672	26.6
452.17047	2.2
520.95508	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29567	2.9
50.81195	3.1
51.05056	2.6
57.03452	5.1
59.01381	65.3
61.98833	37.4
71.01383	39.5
71.60327	3.2
73.02959	15.8
78.95913	13.5
79.95747	5.1
83.01373	7.2
85.02975	17.8
89.02448	6.6
96.96014	52.7
98.95621	4.2
99.00867	6.2
101.02449	25.0
109.04044	3.8
113.02445	9.6
115.00416	4.9
122.06165	4.2
125.03617	4.0
127.05164	4.3
128.03600	3.6
133.01385	4.9
134.03745	4.2
134.06102	4.5
135.08086	3.9
136.07672	3.9
137.09697	12.0
138.06813	3.4
138.37708	4.4
145.06195	20.5
152.98643	3.6
153.09195	4.7
155.10812	62.2
161.04564	8.7
191.74228	3.6
193.05022	8.5
199.09789	18.9
241.10855	4.8
256.06860	4.4
302.39230	3.4
322.07275	3.3
328.04706	3.2
345.30173	5.0
481.18048	7.6
484.70212	3.5
500.32336	4.0
507.35376	95.3
508.35742	4.7
523.18787	10.1
531.86493	3.9
567.20599	7.9
567.28320	100.0
568.28369	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07952	1.5
59.01384	12.2
61.98837	21.4
68.59856	1.5
69.97683	6.7
71.01388	3.9
78.95940	2.2
79.95740	1.9
85.02966	2.3
86.74999	1.4
89.02444	3.8
96.96024	25.2
98.20515	2.1
99.08170	3.7
101.02428	4.1
108.34115	1.5
113.02430	2.0
113.09721	1.9
120.11469	1.4
138.33292	1.5
143.07127	4.4
153.12811	1.9
253.09306	36.3
256.99600	2.1
267.21997	1.4
269.21234	100.0
270.21609	6.9
320.32394	1.5
403.83524	1.4
457.88977	1.7
479.19547	12.5
512.73035	1.6
521.20679	7.8
565.19598	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	566.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97558	1.8
59.01379	4.6
61.98840	0.5
63.96225	1.0
64.97001	0.4
69.54173	3.5
71.01388	3.7
73.02968	1.1
74.99108	3.6
79.95741	12.7
80.96526	1.9
83.01411	0.5
85.02928	0.8
87.00861	0.9
89.02451	4.7
95.94592	1.0
95.95238	51.8
96.96015	100.0
101.02399	2.6
113.02450	1.2
114.22862	0.6
118.96848	0.5
119.97640	0.9
126.00279	0.4
128.93217	1.0
129.02498	0.9
131.03516	1.7
133.01534	0.8
135.97116	2.2
138.97079	1.0
144.01152	0.5
149.04553	2.2
150.04187	2.5
168.95059	0.5
191.05621	6.8
192.01546	0.6
204.94321	0.5
233.06581	0.6
255.94162	0.5
261.58148	0.4
282.08411	1.1
303.10339	0.7
350.12430	0.5
358.26425	0.5
391.05573	1.4
417.06033	0.6
435.14755	1.2
440.32147	0.5
445.90836	0.5
551.04492	2.9
566.06763	62.0
567.06927	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.5
61.98840	7.3
69.57537	0.7
71.01384	4.4
71.61053	0.8
73.02959	1.3
78.95907	3.1
79.95744	13.1
80.96525	2.6
85.02953	3.4
95.95254	5.8
96.96018	100.0
97.02931	0.8
99.00867	1.3
101.02441	1.7
103.00371	9.8
113.02480	1.4
115.04046	1.1
121.02927	2.1
127.05130	2.5
128.03529	0.9
129.01942	1.5
133.70389	0.8
134.97568	1.0
135.95529	1.0
138.97061	1.2
142.11996	0.8
145.06165	2.4
150.97064	1.7
152.98633	1.9
164.98576	1.6
168.98051	1.2
176.98621	1.3
177.04066	5.5
225.00565	1.4
238.98756	4.1
241.00267	2.5
256.99750	30.0
299.00885	5.1
331.34503	0.7
390.51697	0.8
407.00070	0.9
432.02679	0.9
458.00320	3.6
479.19659	53.7
480.19815	3.2
521.20972	31.7
522.20984	2.7
547.18579	1.0
564.34467	1.6
565.03003	1.3
565.19513	24.0
565.31409	3.7
566.19537	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	565.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.0
61.98822	5.4
69.35938	1.5
69.71747	9.6
71.01392	1.5
72.99379	1.5
77.99840	1.4
78.95907	66.3
83.50052	1.6
96.96007	1.9
96.96967	11.4
98.19943	2.6
100.17455	1.4
104.34614	1.3
116.05035	3.2
119.72396	1.4
145.06184	1.8
151.61971	1.5
152.99597	100.0
171.00638	1.5
194.87131	1.5
223.00191	10.4
241.01180	22.1
249.18610	43.4
250.18900	2.1
259.02286	2.7
281.17447	1.5
315.04941	18.7
333.24301	5.1
489.38562	1.6
548.29926	3.4
565.24023	86.1
566.24432	10.5
570.99878	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.3
60.93437	0.5
61.98829	2.4
69.43485	4.4
71.01385	4.9
73.02967	0.8
79.95744	21.0
80.96520	2.8
85.02950	3.3
89.02466	1.4
95.95247	7.4
96.32111	0.6
96.96017	100.0
97.02969	1.0
99.00934	1.0
99.08746	0.5
101.02450	1.5
103.00375	9.6
113.02450	1.3
115.04047	0.6
116.20792	0.5
118.09322	0.5
120.08060	0.6
127.05091	0.7
129.01930	1.0
134.97572	1.3
138.97075	1.2
141.02029	0.6
145.06180	0.6
150.97067	3.0
152.98615	2.9
164.98624	1.8
169.89728	0.6
176.98672	0.9
177.04083	3.7
180.98187	0.8
194.99745	1.0
225.00652	0.8
238.98730	3.6
241.00192	3.4
256.99725	22.8
283.01312	0.8
299.00754	2.8
395.13797	1.8
461.18323	0.8
479.19571	77.8
480.19833	5.9
521.20618	38.2
522.21167	2.7
547.18427	1.7
565.19586	32.5
565.27924	1.2
566.19971	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	565.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09244	0.6
59.01381	12.9
61.62616	0.4
61.98832	8.1
71.01395	4.6
72.99318	0.8
75.00872	1.0
79.95737	6.3
80.96511	2.5
85.02956	4.1
87.00865	0.6
89.02444	0.9
95.95185	2.4
96.96015	100.0
97.02950	1.8
99.00898	1.0
101.02444	1.3
103.00373	8.3
115.04031	1.2
126.53840	0.5
129.01941	1.9
135.04480	0.5
138.97104	0.7
150.97064	0.9
152.98668	2.8
164.98622	1.0
166.56563	0.5
168.98174	0.9
174.11633	0.5
176.98648	3.2
177.04033	5.9
180.98218	0.8
185.75296	0.5
194.99701	1.3
213.00668	0.7
238.98682	4.4
241.00258	2.2
256.99734	31.6
258.00021	1.1
278.71619	0.5
299.00827	3.9
419.07880	0.5
471.11020	0.5
479.19577	54.7
480.19879	4.3
521.20618	32.4
522.20941	2.0
547.18481	1.9
565.19580	30.6
565.27045	1.1
566.19952	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	565.0481
Annotation	UDP-glucose
Peak:m/z	Relative Intensity
53.15605	0.5
61.43280	0.5
62.96399	1.0
69.89789	1.9
74.44508	0.5
78.95908	100.0
96.95979	1.0
96.96967	35.6
111.02019	8.3
120.96964	1.8
138.98035	4.3
150.98029	2.7
158.92542	14.7
164.03543	0.5
174.97998	1.2
176.93582	1.0
180.53543	0.4
192.99104	1.1
211.00189	5.0
241.01186	8.1
272.95767	5.0
280.02258	1.7
305.01776	1.0
305.07236	0.5
320.97787	2.8
323.02859	60.4
324.03333	2.2
384.98419	5.3
402.99362	1.7
565.04803	23.1
566.05005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
58.09718	0.8
59.01384	2.1
68.99827	0.7
70.19609	1.4
70.19986	2.8
71.01390	19.2
72.99310	2.8
75.00893	2.4
83.01398	1.0
83.54438	0.7
85.02962	2.7
87.00879	2.3
89.02443	2.6
96.96031	3.2
99.00870	6.1
100.46882	0.7
101.02438	0.8
109.02957	1.4
111.00862	1.3
113.02483	1.2
115.00378	48.7
117.01971	1.2
125.02472	1.1
132.09055	0.8
133.01442	100.0
134.01773	1.7
135.03014	6.2
137.02451	0.7
139.00401	1.6
146.03697	1.2
157.01469	0.9
159.03008	2.6
159.04445	1.5
172.05327	2.0
173.00900	1.3
173.06094	2.7
174.01767	3.5
175.02483	5.9
175.07619	1.1
183.04604	1.3
185.06052	2.3
187.04054	2.1
187.07660	14.8
188.08041	1.1
189.09230	3.4
196.05287	1.3
199.07607	1.7
200.04858	1.1
201.05591	1.5
202.06340	2.8
211.03943	4.0
213.05597	1.3
213.09203	3.3
214.06445	1.4
215.07132	7.1
215.10739	1.9
216.07535	1.6
217.08603	1.2
223.07680	1.0
225.05574	0.8
225.09177	2.9
227.07253	1.1
228.07767	1.0
229.08766	3.3
231.06680	2.0
231.10239	9.0
232.31912	0.7
240.04320	1.3
241.08701	2.7
243.10228	11.9
255.02922	1.0
257.08240	1.2
259.09756	14.0
269.08160	8.1
273.07654	1.1
275.09274	13.6
277.10956	1.8
281.08389	0.9
283.02570	1.2
287.09277	15.7
301.11026	1.1
309.07730	1.0
313.07101	3.5
325.10706	1.4
327.08713	2.4
327.12323	0.9
331.08112	4.7
339.12372	1.2
345.09821	1.1
359.11472	1.0
361.16580	1.6
369.09875	2.0
387.10767	2.7
391.10370	5.1
405.11899	0.8
413.08633	1.3
431.09921	1.8
432.09851	1.5
550.98474	0.8
565.15369	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	564.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97559	1.5
59.01390	11.9
61.98832	15.2
66.31506	1.0
70.91377	1.6
70.91711	1.9
71.01381	4.4
78.95909	4.3
79.41165	1.1
79.95733	3.0
81.02242	2.7
81.04583	1.7
82.02986	4.0
85.02962	3.0
89.02462	1.8
93.32600	1.1
94.22166	1.2
95.02497	5.0
95.95247	16.4
96.00928	21.9
96.96018	42.5
98.02500	9.3
99.05662	12.0
101.02455	2.8
108.03274	2.3
113.02493	1.3
113.02761	1.3
113.03570	13.6
115.00398	1.8
115.05093	1.6
116.05074	2.7
116.92862	1.4
118.06636	1.6
121.40588	1.0
130.08755	37.9
131.05026	2.6
131.09108	1.8
133.01433	2.8
135.04480	1.7
138.09245	1.9
141.06723	7.4
141.10338	4.7
147.05974	4.2
156.08067	1.4
158.06131	2.3
172.07657	2.2
174.05582	1.3
189.07062	26.3
199.08794	7.1
200.07228	6.0
216.13895	5.7
218.88745	1.2
225.06657	1.6
243.07784	25.3
244.07806	1.6
256.03244	1.4
256.99728	1.8
258.08954	1.4
259.14532	1.5
260.12775	1.6
261.10577	1.3
269.16611	1.8
277.15567	11.7
283.02527	3.2
284.02985	3.8
286.04294	1.4
286.08646	3.6
305.83527	1.2
330.18256	1.5
357.14603	11.8
358.14871	1.1
374.17188	32.1
375.17621	2.5
433.15613	6.9
456.27768	1.3
478.12225	2.4
478.18359	5.1
479.18988	1.7
504.32474	2.8
505.33823	2.3
520.19568	2.1
546.08575	2.1
547.22498	2.3
556.14526	1.2
564.24994	100.0
565.25952	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	564.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99571	1.0
58.90028	1.2
59.01386	6.5
61.98835	36.6
63.20354	1.3
69.79201	1.2
70.78892	3.1
71.01366	1.7
78.95895	3.0
79.95749	1.4
81.03455	2.9
83.01409	2.7
87.00901	1.3
90.38458	1.1
93.03449	4.0
95.01297	1.2
96.96016	21.0
103.00403	1.6
109.02964	2.0
116.05067	33.5
117.05409	1.6
119.05023	5.6
123.04531	9.0
125.02472	2.8
135.04500	1.4
137.02458	13.4
138.02773	1.4
151.04028	4.6
163.00357	4.9
167.03502	20.3
179.03510	74.7
180.03764	2.0
191.03500	3.5
193.05002	3.4
203.03644	2.8
209.04636	1.1
221.04637	2.5
233.04539	1.4
245.46291	1.6
256.99738	2.9
273.07687	21.8
274.08124	1.6
283.02502	2.6
284.02805	2.4
284.25806	1.4
285.07697	100.0
286.05161	1.2
286.08008	5.1
297.07697	5.2
315.08749	1.5
327.08600	4.1
327.33856	1.2
402.13440	28.5
403.13644	3.0
426.13470	6.2
431.08994	1.6
447.12717	2.1
477.18234	1.5
478.18524	8.1
479.19220	4.2
520.19409	3.6
521.20081	2.0
564.18353	6.1
564.28528	4.4
565.19116	2.0
583.07275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20075	2.3
66.32561	2.5
68.53193	3.1
69.30373	2.3
71.60967	3.8
73.25369	2.4
78.95903	55.5
88.72735	2.2
89.17220	2.4
96.96981	3.8
106.54456	2.8
152.99593	71.2
171.00668	19.2
192.51378	3.0
227.03230	3.7
245.04324	91.6
253.21710	44.9
266.62888	2.7
283.02280	5.9
481.25745	100.0
482.26181	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	563.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14588	0.3
52.44324	0.4
55.01883	2.0
56.34978	0.4
57.03458	3.6
58.00605	0.6
59.01384	95.3
60.01727	0.7
61.98839	1.7
62.52137	0.4
68.99793	0.4
69.03459	1.4
70.04253	1.3
71.01388	19.5
71.05044	0.6
72.99319	1.1
73.02950	6.5
75.00878	0.4
79.95749	1.0
83.01395	5.2
85.02957	12.8
87.00885	2.2
89.02438	2.1
92.52307	0.3
95.01400	2.2
96.96018	5.2
97.02946	1.9
97.06589	0.5
99.00887	3.1
101.01781	0.7
101.02449	15.1
106.05170	0.3
111.00883	2.7
111.08144	0.7
112.01666	1.0
113.02457	10.3
115.00388	0.5
115.03995	0.9
124.01655	0.8
125.02463	1.7
127.11311	2.3
129.01950	1.1
133.01468	0.4
137.09729	2.7
141.01999	0.4
143.03539	2.3
145.31528	0.3
151.11293	0.4
153.12871	1.3
155.10797	3.7
157.12331	2.0
159.03021	1.7
161.04568	2.9
169.12245	0.5
173.11868	0.6
183.13956	1.1
183.32114	0.4
201.14996	4.4
209.02963	0.7
229.14417	0.6
230.15247	2.4
247.44136	0.4
255.02936	2.0
256.85043	0.4
271.02560	1.7
271.22903	1.0
283.02490	5.2
285.04016	1.8
290.82297	0.4
299.01855	2.2
301.16559	0.7
310.30923	0.4
311.25815	0.6
314.04343	1.6
315.05112	1.1
323.25900	0.7
327.21683	0.5
330.16931	0.4
335.17096	0.5
341.26917	1.6
357.26328	0.8
359.28024	15.1
360.28528	1.0
390.07367	0.5
394.29880	0.4
401.29446	0.4
413.29306	0.5
415.26913	0.5
417.08405	0.7
430.08875	1.7
431.09750	0.6
432.68344	0.4
433.28125	3.3
455.30136	1.1
467.30273	0.9
473.31232	1.1
477.18182	3.7
485.31244	1.7
501.31088	0.4
503.32278	100.0
504.32629	8.6
519.11438	1.7
519.19122	2.0
521.33301	34.9
522.33765	3.0
545.33545	1.8
563.14642	2.2
563.34491	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	563.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15924	1.1
54.39031	1.1
57.03447	1.4
59.01385	20.3
61.98833	13.7
67.93440	1.2
70.26137	2.4
70.26513	4.2
71.01379	5.3
72.99261	1.2
73.02944	1.3
73.20383	1.1
77.89819	1.1
78.95874	1.4
79.95739	9.7
80.05083	1.0
80.96523	2.2
83.01388	1.0
83.09838	1.1
85.02929	4.3
87.00832	1.0
95.95230	3.5
96.96014	100.0
97.02935	2.1
101.02432	1.8
102.39185	1.1
103.00373	8.3
113.02444	1.7
115.92099	1.3
116.05065	3.1
116.92855	5.3
129.01939	2.1
138.97017	1.2
152.98590	1.6
164.98640	1.6
176.98630	1.9
177.04088	5.7
179.03474	2.7
181.08722	1.3
238.98654	4.8
241.00197	2.4
255.02989	4.3
256.99738	25.5
283.02505	9.9
285.03992	2.1
285.07748	5.1
299.00745	6.0
311.84781	1.2
355.95248	1.5
402.13266	1.9
430.09152	3.5
443.38425	1.2
460.41702	1.4
477.17996	59.7
478.18210	4.0
487.92673	1.2
509.79358	1.4
519.19092	35.5
520.19281	3.0
529.37665	1.2
545.16974	1.7
563.18341	23.3
563.26349	1.4
564.18085	3.1
564.27612	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1405
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
58.72085	0.5
61.95837	0.6
62.73462	0.5
70.72262	0.6
71.55089	0.5
84.73776	0.6
93.03471	0.8
113.72406	0.5
117.03461	0.7
119.74369	0.5
122.74464	0.6
151.00385	1.7
155.05055	0.6
159.01460	0.5
169.06580	1.0
169.76590	0.5
173.02551	0.6
180.04924	0.5
183.04491	2.7
185.06024	1.0
189.05615	0.7
211.04013	2.0
213.05574	0.9
227.03450	3.5
241.04965	0.6
255.02986	35.1
256.03387	2.5
257.04617	1.0
283.02487	100.0
284.02997	8.0
285.04059	34.7
286.04315	1.9
293.95013	0.6
325.25229	0.7
417.08368	15.6
430.09052	38.7
431.09766	13.5
444.57391	0.7
455.41867	0.6
563.14087	65.6
564.14435	5.9
572.83051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1044
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.66101	3.2
57.03424	3.7
59.01381	100.0
61.98830	8.2
71.01391	31.5
71.31446	4.6
73.02946	7.8
83.01405	5.9
85.02969	17.4
87.00871	3.4
89.02435	5.1
95.01408	3.0
96.96015	30.2
99.00890	3.7
101.02462	21.3
111.00920	3.0
113.02473	13.4
116.92829	5.8
126.75733	2.6
135.04544	3.6
138.94557	3.0
143.03531	4.5
157.12288	3.8
161.04561	9.1
165.01944	12.8
195.06619	5.5
199.04008	5.1
227.03462	3.5
243.03020	3.8
255.03041	11.0
271.02472	60.4
271.96646	2.8
272.02966	5.6
283.02557	16.4
284.03033	3.6
285.04059	10.2
299.01990	97.5
300.02469	13.8
314.04340	96.7
315.05029	46.5
321.28018	2.9
327.21710	3.5
359.28064	9.8
417.08398	4.6
430.09137	9.8
433.28268	7.2
477.13562	15.0
503.24808	2.2
503.32217	65.2
519.11334	73.4
519.17969	4.3
520.11725	4.4
521.33234	26.1
563.13538	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44706	0.4
55.01878	2.0
57.03451	3.7
58.00593	1.0
59.01384	100.0
60.01714	0.9
61.98837	0.8
68.99813	0.6
69.03459	1.3
69.42783	2.8
71.01385	25.4
71.05029	0.8
72.99316	1.7
73.02543	0.5
73.02950	8.3
75.00877	1.0
81.03458	0.7
83.01394	6.7
83.05017	0.8
85.02956	16.8
86.00134	0.6
86.11266	0.4
87.00871	2.6
87.04506	1.6
89.02459	3.2
93.07116	0.8
93.98264	0.3
95.01397	2.1
96.96017	2.4
97.02959	2.0
97.06580	0.4
98.95597	0.5
99.00874	3.7
101.02454	19.6
109.06609	0.6
111.00888	2.9
112.01683	1.2
113.02461	10.6
115.00402	0.5
115.04020	0.5
116.05022	0.9
119.03513	1.2
121.10255	0.4
124.01627	0.5
125.02442	1.5
125.09718	1.0
127.11246	0.8
129.01958	1.2
132.48724	0.4
134.03778	1.8
137.09688	0.4
137.50096	0.3
139.11299	2.3
141.12871	0.5
142.02788	0.3
143.03499	2.5
151.11279	1.6
153.12952	0.4
155.10803	0.5
157.12355	3.6
159.02989	1.9
161.04562	3.2
163.11282	1.2
165.12863	0.8
169.12390	1.0
171.10231	0.5
171.13921	0.6
173.11787	0.9
178.02681	0.6
178.09962	0.4
179.10802	0.4
181.12369	1.0
185.11823	0.7
186.12604	0.9
187.13385	1.8
190.57411	0.4
191.01973	0.6
193.05090	1.9
197.11813	0.5
199.13440	2.3
201.14948	1.1
209.03055	0.6
209.06700	0.4
209.11845	7.6
210.12289	0.5
227.12939	0.8
228.13698	1.3
253.09380	1.9
264.10257	1.1
267.19644	0.5
297.24423	0.7
301.16528	0.6
307.19162	4.3
309.24228	0.5
317.15668	0.4
321.24313	1.5
325.20242	2.2
330.16858	1.6
335.17123	0.9
339.25446	3.0
347.17175	0.8
348.17960	3.8
349.18527	0.4
355.24854	0.9
357.26495	9.0
358.26657	0.6
360.20764	0.5
361.18753	0.4
385.11450	0.8
429.24966	2.1
435.27249	0.4
441.28479	0.7
445.24319	0.9
447.27444	1.0
453.28549	1.7
465.28644	3.4
471.29486	1.1
475.16891	1.3
483.23132	0.5
483.29684	5.9
484.30026	0.6
501.30707	96.9
502.31079	10.2
517.17633	0.7
519.31744	29.3
520.32202	3.0
543.32068	0.8
561.16638	0.6
561.32324	1.7
562.16235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96727	0.6
59.01391	1.0
61.95929	0.7
61.98814	1.2
69.38291	7.1
72.99297	1.5
75.00878	100.0
96.96029	1.2
99.29080	0.8
166.85536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.8
57.03455	7.0
58.00597	1.7
59.01382	100.0
60.01742	0.5
61.98837	1.6
63.46415	0.4
66.92238	0.4
68.99835	0.4
69.03467	2.2
70.32536	1.6
71.01386	33.5
71.05025	2.8
72.99324	1.8
73.02952	11.0
74.03260	0.4
75.00877	0.9
76.40726	0.4
79.95762	0.7
81.03477	0.8
81.25249	0.6
83.01393	10.7
83.05050	1.2
85.02438	1.1
85.02956	21.9
86.00123	1.5
87.00890	2.7
87.04507	4.3
89.02457	5.0
95.01392	2.6
95.05058	0.6
96.96011	5.8
97.02968	2.1
97.06622	1.2
98.20562	0.5
98.95615	1.6
99.00883	5.2
99.04540	0.5
101.02448	30.1
101.06059	0.6
102.02843	0.5
103.00365	0.6
111.00877	3.1
111.08159	0.7
112.01673	1.0
113.02460	16.4
113.03250	0.9
115.00397	0.7
119.03536	0.7
125.02446	3.1
125.09760	0.9
129.01982	1.3
133.01457	0.7
134.03743	1.1
135.08226	0.7
137.09734	6.5
139.11360	0.4
141.02019	0.7
142.99913	0.7
143.03493	3.6
151.11311	1.0
154.99944	0.8
159.02951	3.2
160.01695	0.6
161.04567	10.0
171.10316	0.8
171.13925	0.8
175.04039	0.5
193.05066	0.6
209.11917	1.0
211.17250	0.8
237.18661	0.7
251.20128	5.1
253.09384	1.1
255.00096	0.5
279.23532	0.9
289.18378	0.6
307.19269	1.9
311.26108	0.8
321.24503	1.5
325.20374	3.3
333.19290	1.1
339.25467	1.0
348.74277	0.5
357.26520	5.5
369.12631	0.6
381.22845	1.3
395.24368	5.2
396.24973	0.5
413.25421	14.0
414.25842	1.0
423.27975	0.8
435.26913	0.7
441.28824	0.7
445.24579	2.2
455.30017	0.7
465.28876	2.2
469.24387	0.7
475.16934	3.3
483.29620	3.1
487.26187	1.0
501.30707	53.3
502.30957	5.2
517.18262	1.9
519.31763	31.9
520.32025	3.1
561.17023	2.1
561.29510	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	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
61.98851	1.1
62.58324	0.5
71.60592	0.6
72.99284	1.4
73.97038	0.5
74.02464	1.4
75.00877	100.0
76.01231	0.5
78.95934	1.2
96.96014	1.0
101.73527	0.6
128.42368	0.6
135.31125	0.5
149.47011	0.6
189.02422	0.5
267.39777	0.6
323.52853	0.5
325.10721	0.5
330.43979	0.7
331.21899	0.5
422.21155	0.5
475.20020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47788	0.5
57.03454	1.2
59.01383	12.1
62.65037	0.5
69.46464	3.8
71.01385	5.5
72.43091	0.6
73.02950	4.3
73.77464	0.6
83.01395	1.9
85.02956	7.5
89.02454	2.3
93.03458	1.3
95.01359	1.0
96.96013	1.0
101.02432	5.4
108.02173	1.9
109.02931	0.7
111.00902	0.8
113.02479	3.2
115.00336	0.7
119.03510	0.7
121.02958	6.4
122.03751	2.3
123.04582	0.6
124.01701	0.8
129.01949	1.4
131.03526	0.8
134.03708	2.9
136.01668	78.4
137.02411	2.1
143.03531	0.6
144.90602	0.5
147.03018	0.9
149.04562	0.9
149.06073	0.6
151.04013	100.0
152.04309	2.4
153.52306	0.5
159.04539	0.6
160.05252	1.3
161.02341	0.8
161.04561	1.1
162.03288	1.0
163.04031	0.8
173.00983	0.7
175.03987	1.2
175.07642	0.9
177.05641	1.0
179.03633	0.7
191.01926	1.0
193.05037	2.4
203.07068	0.7
234.98122	0.5
245.26892	0.6
256.06998	0.5
265.50122	0.5
278.33359	0.5
285.04138	0.8
309.11636	0.9
311.13046	0.6
323.07831	0.5
342.10974	4.3
357.13428	88.8
358.13773	6.4
413.00391	0.5
464.44373	0.5
561.30566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01606	0.6
55.01873	3.1
55.20821	0.7
57.03452	12.5
59.01384	3.6
61.98832	0.8
65.02710	0.7
70.17335	1.2
70.17732	1.9
71.01373	3.3
83.01384	3.5
84.02167	2.0
85.02958	100.0
86.03317	1.3
87.00887	1.5
89.02454	0.7
94.75304	0.7
96.95996	2.4
99.00880	0.7
101.02448	0.9
108.02187	0.9
111.00890	11.7
115.00367	1.3
117.03468	3.1
122.03524	0.8
125.02509	1.0
125.22300	0.6
129.01947	23.7
132.02165	1.0
133.02873	0.8
134.03754	27.7
135.04518	1.4
137.02495	1.6
143.04633	1.3
147.03009	16.4
149.06102	4.7
149.39400	0.7
160.01689	6.3
161.02498	1.0
173.00914	8.5
175.04002	7.9
178.02740	2.2
191.02005	10.8
193.05072	27.6
209.03030	1.1
261.07645	4.9
285.04028	1.6
306.07761	2.0
323.07715	4.3
367.06708	4.8
385.07755	1.5
445.20840	1.5
458.95215	0.8
499.79858	1.0
552.68823	0.9
561.31525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14989	0.7
55.01888	2.7
57.03451	13.5
57.51146	0.7
59.01383	10.9
61.98825	1.2
71.01392	9.0
71.60051	1.2
73.02944	2.8
75.00883	0.8
77.21100	0.8
83.01405	4.4
84.02168	1.9
85.02956	100.0
86.03264	1.2
87.00884	1.7
88.98807	0.8
89.02448	3.5
89.03986	1.2
89.41860	0.7
96.00986	0.9
96.96014	1.7
98.20586	0.8
101.02451	2.7
111.00896	10.5
113.02460	2.2
114.01942	1.0
115.00362	3.8
117.03470	2.9
119.03544	0.8
120.01264	1.7
121.02972	2.7
122.00873	1.1
128.03542	1.7
129.01947	24.9
129.10318	1.1
132.02126	1.3
133.01477	2.6
134.03749	29.6
136.01669	10.4
137.02440	1.4
147.03021	14.1
149.06084	3.2
151.04013	15.4
153.05545	2.1
160.01678	5.5
161.02505	1.2
161.04631	0.9
173.00946	8.9
173.02380	1.5
174.03159	2.0
175.04008	9.2
178.02760	1.9
188.04849	1.7
189.05635	3.8
191.01971	9.9
193.05063	28.1
194.05615	0.7
203.07114	2.2
209.03033	1.8
218.05858	1.2
256.07562	1.0
261.07669	4.7
323.07748	4.1
341.10443	2.5
342.10986	1.0
357.13470	12.3
358.13910	1.2
367.06714	4.2
385.07877	1.5
445.21039	2.9
501.30807	1.1
561.21558	1.6
561.30762	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82375	0.6
55.01878	2.7
57.03453	10.9
59.01381	12.3
61.98841	0.8
69.40414	3.7
69.40826	2.1
71.01382	8.3
72.99317	1.1
73.02953	3.2
73.73035	0.6
74.02477	0.6
80.96506	0.8
83.01397	6.2
84.01719	0.7
84.02188	2.4
84.91949	0.6
85.02958	100.0
86.03270	1.0
87.00880	1.4
89.02448	2.7
96.00949	0.7
96.96037	1.4
98.19875	1.4
99.04588	0.7
101.02444	4.0
108.02195	0.9
111.00893	13.6
113.02474	3.5
114.02024	0.9
115.00393	2.1
117.03487	2.3
119.03571	1.5
120.01257	1.9
121.02973	3.0
122.00829	1.0
128.03540	1.8
129.01953	23.7
132.02142	1.3
133.01407	1.5
134.03749	29.6
135.04504	1.1
136.01672	28.2
143.03612	0.9
143.04672	1.8
147.03011	14.1
149.06081	4.6
151.04013	37.4
151.08777	2.2
153.05518	1.0
160.01686	5.1
161.02432	1.3
161.04514	1.0
168.11482	1.1
173.00938	9.1
173.02362	1.4
174.03137	1.0
175.04025	9.3
178.02739	2.3
186.12463	1.1
188.04874	0.9
189.05539	2.1
191.01996	7.5
193.05066	28.9
194.05453	0.9
207.06546	0.7
255.06970	2.4
256.07294	1.7
261.07672	6.5
263.09348	0.8
272.09027	1.2
285.04016	1.2
313.63602	0.8
323.07861	4.5
341.10876	0.8
342.11179	2.2
357.13440	30.9
358.13849	2.0
367.06949	3.9
368.37244	0.8
385.07864	1.6
387.44662	0.8
445.20844	3.3
446.27679	1.0
501.30673	2.3
517.73004	0.8
533.87134	0.8
543.20648	0.8
561.22656	1.3
561.30182	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	559.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62886	3.1
59.01095	5.8
59.01382	100.0
59.62284	3.2
61.98822	13.6
65.31025	3.0
71.01386	19.9
73.02932	9.2
83.01391	4.4
85.02928	5.4
87.00902	3.5
89.02461	4.8
96.96016	15.4
97.02965	3.4
97.32185	3.1
101.02452	12.2
119.03532	3.8
144.30763	3.1
179.03633	3.0
187.10744	3.6
263.36395	2.8
272.96997	3.6
417.24026	3.8
440.71817	3.2
473.27411	3.6
497.27234	5.5
515.09735	4.0
515.20966	4.5
515.28583	86.6
516.28699	7.3
559.30975	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	559.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.6
59.01102	5.5
59.01382	96.3
61.98826	13.1
63.92980	3.1
64.07308	3.2
69.43408	17.2
69.43835	11.4
69.71409	3.5
71.01389	35.6
73.02940	15.2
79.95748	7.7
83.01372	8.1
85.02936	18.8
87.72939	3.2
89.02452	8.6
96.96014	100.0
101.02447	22.8
113.02439	12.2
115.04028	4.4
116.05049	5.4
118.66574	3.5
132.12218	3.4
133.01425	3.7
143.04584	7.2
143.07176	4.0
161.04585	3.7
165.12813	10.7
177.03374	7.4
191.01956	6.8
191.14281	3.9
191.71497	4.1
219.17488	3.9
233.11478	6.2
240.07787	3.3
242.50415	3.1
253.09235	13.6
263.16537	59.7
264.16489	3.5
293.21161	5.4
307.06226	3.1
337.79813	3.8
443.16809	4.7
455.26492	7.2
473.20279	4.9
473.27271	11.6
515.21185	3.4
515.28613	74.5
516.28931	8.1
517.29803	4.7
559.21368	6.7
559.31335	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	26.6
71.01393	15.8
71.07685	20.5
76.14507	9.6
105.03500	11.0
108.02196	63.7
109.02969	33.7
113.10662	10.0
133.01477	23.0
133.02989	100.0
145.67451	11.7
152.01208	36.3
153.01967	52.2
163.03946	14.0
177.01956	54.3
243.09833	14.9
292.28076	10.0
292.94913	11.1
315.07199	85.2
327.08798	47.3
443.09293	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	559.24
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97691	1.0
59.01375	3.4
61.98832	84.0
71.60140	1.1
78.95911	10.4
140.01192	3.6
143.93106	1.0
151.66393	1.1
152.54016	1.2
152.99586	2.0
196.03745	1.2
214.04906	4.4
277.21732	100.0
278.22021	7.1
336.06290	1.2
339.43701	1.3
362.19400	4.7
378.23615	1.2
399.12234	1.2
474.26285	32.2
475.26730	3.8
510.49149	1.1
559.23926	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38094	4.5
59.07146	5.4
61.01601	5.0
64.34496	5.1
69.28781	37.2
69.29205	17.6
71.01389	22.2
93.96677	5.8
98.19908	9.4
115.00387	41.1
119.05051	19.6
129.02014	4.2
133.01448	100.0
163.04005	16.5
215.83144	5.4
283.09781	6.6
327.08771	78.0
376.88864	5.3
391.69083	5.8
437.02069	5.4
585.12769	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	559.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.8
66.09059	0.5
70.14406	1.5
70.14754	1.0
71.01385	19.3
73.02950	1.0
78.95910	1.1
79.75697	0.5
85.02951	0.9
89.02450	1.7
96.96017	1.3
101.02436	1.8
113.02483	1.4
115.00378	23.5
116.05066	3.8
117.47005	0.5
119.03552	0.9
119.05016	6.5
120.01258	100.0
121.01586	1.2
126.90417	1.8
133.01454	2.6
133.03024	0.6
140.33421	0.5
142.06636	1.7
146.03694	0.6
152.99655	1.0
161.04628	0.6
163.04022	3.4
173.00981	0.6
211.13412	1.4
246.09290	1.5
253.49475	0.5
262.08725	20.5
262.11514	1.1
263.09500	28.0
264.09821	2.0
278.11880	31.8
279.11969	1.1
285.04044	0.6
322.10861	11.4
327.08749	2.4
353.06650	0.6
425.12878	0.5
443.12881	1.2
443.18845	0.9
485.82800	0.5
499.29056	1.0
499.94104	0.6
517.30432	0.6
559.21393	1.3
571.32184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81693	0.7
58.37089	0.5
59.01378	4.4
61.98819	1.1
65.06593	0.5
69.55558	1.3
69.55965	2.8
71.01389	22.7
73.02969	0.6
85.02974	0.9
89.02458	2.0
96.96000	0.7
101.02456	1.1
113.02467	1.5
115.00376	26.9
116.05041	4.0
119.03529	1.0
119.05035	3.2
120.01260	100.0
121.01627	0.8
133.01443	22.9
133.02959	1.1
134.03738	0.9
142.06631	2.1
143.04675	0.5
146.03754	0.6
161.04683	0.8
163.04039	4.3
211.13332	0.6
229.07565	0.6
246.09261	2.1
262.08728	20.4
263.09500	25.6
264.09973	1.0
278.11871	31.6
279.12286	2.6
285.04239	0.6
322.10837	15.2
353.25934	0.7
438.12457	0.8
443.12949	0.6
443.22891	2.1
570.85614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56520	0.3
58.43276	0.3
59.01384	100.0
60.01723	0.8
61.47773	0.3
61.98834	0.4
69.03455	0.7
69.62019	2.1
71.01402	1.1
71.05047	0.9
96.96033	1.1
115.00407	0.4
121.03001	0.9
133.01465	0.4
154.37788	0.3
202.98019	0.3
221.08231	3.0
291.08817	0.4
381.11829	0.5
423.13293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63174	0.4
55.48682	0.4
58.84613	0.3
59.01385	100.0
60.01726	0.6
60.81648	0.4
61.98834	1.3
63.77033	0.4
69.03477	0.5
69.12031	0.4
71.01387	2.2
71.05027	1.3
71.09463	0.7
71.20993	0.4
96.96020	2.6
100.50233	0.3
121.02956	0.8
177.09305	0.5
221.08195	3.5
241.00322	0.6
277.11810	0.4
293.15488	0.4
348.32776	0.4
423.12738	0.4
485.06009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.2
61.98833	100.0
69.38536	0.5
69.38969	0.4
78.95905	0.8
93.65569	0.1
98.19877	0.2
101.22202	0.1
108.72907	0.1
115.75180	0.1
116.92790	0.2
152.99654	0.2
167.01215	0.1
224.07036	0.1
255.23282	1.6
256.23672	0.5
257.23950	0.3
258.24063	0.1
294.01285	0.1
297.06857	0.1
307.89038	0.1
311.46051	0.1
480.30978	0.9
481.31204	0.2
482.31708	0.2
483.32144	0.4
497.27774	0.1
547.95038	0.1
557.32269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24902	12.9
69.83972	64.4
70.26440	13.1
71.01363	15.0
75.47045	12.9
98.20547	17.3
115.00349	26.7
119.05040	16.9
133.01463	100.0
134.01595	15.8
142.71764	14.0
163.03970	30.4
518.87177	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	555.2844
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01370	0.9
59.18325	0.4
63.96235	1.5
70.08481	1.1
70.08876	1.2
71.01395	6.7
73.02955	1.9
78.98592	4.6
79.95738	9.6
80.96523	61.9
85.02982	2.3
87.00877	2.5
89.57175	0.4
94.98097	15.8
96.95988	1.0
97.02959	1.9
101.02452	2.6
106.98104	2.5
122.97585	6.3
125.02442	2.4
127.04008	0.7
134.97563	4.4
136.99112	1.2
148.99153	6.1
152.98645	6.3
157.28203	0.6
164.98637	10.4
175.17136	0.5
182.98221	0.4
182.99666	3.1
206.99657	3.0
209.20642	0.5
225.00746	15.5
243.01836	1.6
255.23288	3.4
258.89813	0.5
260.62518	0.5
299.04388	2.1
555.28442	100.0
556.28784	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54128	0.8
59.01400	0.9
71.01392	5.1
74.20615	0.7
96.96027	2.5
98.95587	1.2
103.04012	1.4
115.00380	5.3
121.02972	1.4
133.01427	3.7
134.03751	42.1
137.02451	5.0
139.04033	2.0
149.06091	11.7
160.01653	1.5
175.03986	4.1
177.38654	0.8
178.02715	18.1
193.05077	100.0
193.19514	0.7
194.05444	2.3
237.09250	1.8
253.07170	0.8
279.08789	12.4
281.08154	3.8
294.46149	0.8
340.02087	0.7
351.23145	0.7
355.10355	18.0
356.10843	0.8
441.08456	1.0
441.13989	6.9
452.96603	0.8
471.16333	0.9
513.17059	1.7
557.16907	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2846
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
50.87043	0.3
59.01382	0.5
63.96232	1.1
64.36166	0.3
64.97507	0.3
65.15108	0.3
69.03457	0.6
70.63025	1.2
71.01392	5.1
73.02943	1.2
78.98600	5.2
79.95741	8.2
80.96523	59.2
81.03468	0.7
83.01357	0.5
85.02968	2.8
87.00879	2.3
94.98093	13.0
96.96024	1.0
97.02962	1.1
98.12044	0.4
101.02458	1.4
106.98107	2.6
122.97574	2.4
125.02466	2.5
127.03994	0.9
129.31694	0.5
129.85631	0.4
134.97600	4.3
136.99115	1.1
146.22015	0.4
148.99136	4.9
151.64951	0.4
152.98642	4.5
164.98630	9.8
167.00198	0.7
189.50554	0.4
201.10275	0.4
206.83705	0.4
206.99658	1.9
225.00764	12.3
255.23299	2.0
299.04395	2.8
363.82251	0.4
512.53894	0.5
514.89178	0.5
555.28442	100.0
556.28784	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	554.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28315	0.3
59.01384	20.5
69.04416	0.3
69.34115	1.5
69.34549	0.9
77.41142	0.3
78.95908	18.5
96.96979	0.5
119.93389	0.3
152.99603	2.4
163.74152	0.2
168.04300	3.0
209.71791	0.3
224.06935	7.5
242.07982	2.2
254.27617	0.3
255.23300	100.0
256.23645	5.1
480.30963	60.8
481.31360	4.8
515.44867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.1
59.84545	0.8
61.98825	4.7
71.60268	1.5
74.08469	0.8
78.95911	5.6
80.96529	1.3
82.34321	0.8
83.52444	0.9
152.99614	1.0
164.74263	1.0
168.04317	0.9
191.10942	0.9
191.12685	0.8
242.07977	2.4
255.23308	100.0
256.23730	4.8
300.84131	0.9
390.28775	0.9
480.31049	27.3
481.31125	2.5
554.26740	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
63.45984	0.8
67.27204	0.7
90.33382	0.7
98.19830	1.7
220.61455	0.7
249.18600	3.9
336.90515	0.8
358.24139	0.9
441.42706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29903	0.6
58.11301	0.8
59.01376	1.4
61.98829	5.3
63.18527	0.7
69.03580	0.7
71.15554	1.2
78.95908	21.9
80.96516	1.2
108.46315	0.7
119.88577	0.7
152.99576	3.0
168.04361	4.5
181.42250	0.7
224.06947	9.6
242.08011	2.2
279.23291	100.0
280.23624	5.5
504.31006	67.4
505.31277	5.6
554.27386	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.0
61.98833	0.7
66.89491	0.3
68.60444	0.4
69.43526	2.5
72.09103	0.3
76.40865	0.3
78.95908	5.9
80.96510	0.7
83.04971	0.4
98.20699	0.7
152.99629	0.7
168.04274	1.5
169.79497	0.5
180.94604	0.4
224.06915	1.2
225.55699	0.4
242.07936	2.7
279.23300	100.0
280.23700	5.4
504.31009	28.2
505.31390	1.9
554.27423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95301	0.6
55.07845	0.5
55.90420	0.5
59.01360	0.6
61.44503	0.5
61.98835	100.0
70.09096	2.5
71.01388	3.0
73.02972	0.9
78.98602	1.8
79.95757	2.3
80.96519	22.2
85.02953	1.1
87.00890	1.2
94.98106	5.1
97.02943	0.6
101.02490	0.6
106.98119	1.0
109.45267	0.5
122.97595	1.0
125.02451	1.2
134.97585	1.6
148.99162	2.3
152.98657	1.8
164.98662	3.5
213.26233	0.5
225.00755	5.6
255.23297	1.2
272.62366	0.6
308.35706	0.5
321.19833	0.5
341.50919	0.6
378.12952	0.6
555.28455	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48767	0.6
59.01374	2.4
60.78901	0.6
61.98834	100.0
62.69404	0.6
69.39607	5.6
75.62341	0.7
78.95924	2.6
80.96512	2.3
109.17002	0.6
115.31290	0.6
152.99635	1.3
168.04401	1.3
224.06956	0.7
242.07991	4.8
253.21819	2.4
254.22166	1.1
255.23021	0.7
261.14294	0.7
298.37180	0.7
398.27432	0.7
414.20578	0.7
478.29626	3.9
521.17944	0.6
553.27075	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46664	0.2
59.01373	1.1
61.98837	0.6
62.80804	0.3
64.33066	0.3
69.42896	1.2
69.43322	0.9
71.01373	0.4
76.31488	0.2
78.95903	6.7
98.20654	0.6
147.65514	0.3
152.99577	0.9
168.04315	1.9
169.59895	0.3
224.06938	0.9
242.07986	3.2
259.20633	0.6
275.20181	0.4
277.21713	100.0
278.22034	6.6
317.65256	0.3
372.24323	0.3
376.12766	0.3
475.01675	0.3
502.29419	33.7
503.29770	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	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
61.85674	0.4
61.98810	0.8
69.42995	1.6
69.43422	2.5
71.01366	0.5
78.95911	30.9
85.86677	0.4
89.34083	0.4
108.65163	0.6
118.88615	0.5
152.99556	3.4
168.04312	4.9
224.06950	11.1
235.59723	0.5
242.07990	2.9
253.21754	3.8
259.20642	0.5
275.20108	0.6
277.21735	100.0
278.22076	7.1
391.30069	0.5
478.28711	0.7
502.29425	84.1
503.29730	8.2
554.46094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82772	0.8
59.01369	1.4
61.98833	100.0
66.76647	0.8
67.37799	0.8
71.60798	1.3
78.95910	26.0
96.96041	1.1
96.96880	0.8
99.92576	3.8
114.94928	1.7
115.92085	3.4
116.92829	1.2
128.03490	0.8
141.96002	2.7
152.99597	12.3
178.88443	1.4
179.89192	2.9
180.90141	1.7
196.89508	8.9
197.13640	0.9
222.93472	1.0
235.91682	1.6
250.44144	0.9
253.21428	0.9
255.23347	11.8
286.07465	0.9
409.23578	1.9
452.27719	2.6
475.15787	1.8
492.15875	1.0
516.18243	3.4
534.19330	1.9
552.20435	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	551.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90559	27.4
98.20615	100.0
99.47074	33.2
126.15594	32.2
147.81152	37.0
157.63168	29.9
183.04596	32.8
228.93068	30.8
278.80072	27.5
287.84567	35.7
387.72855	31.3
483.13626	33.2
496.85690	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48454	1.3
59.01385	13.6
60.99318	1.4
61.98837	9.6
70.91462	3.0
71.01379	4.4
79.95738	1.6
89.02480	1.6
94.02986	2.6
95.05037	1.4
96.96017	10.6
97.06606	6.4
101.02430	1.3
103.00376	2.1
107.03776	2.1
108.04565	5.1
113.02399	1.5
116.05114	1.5
116.92903	1.4
121.06619	1.4
123.08170	2.1
125.09737	15.7
132.04514	2.7
136.07700	1.6
139.02812	1.4
139.07619	1.5
146.06114	6.7
158.06107	2.4
172.07762	1.3
176.14474	1.3
184.11414	1.4
200.10774	1.8
202.12364	6.0
210.12808	1.9
216.13911	8.3
220.13464	3.8
228.13930	36.8
229.14240	1.3
241.00175	1.5
246.15036	1.9
254.11858	2.8
260.12875	2.1
272.12967	8.4
290.17560	1.9
336.23224	3.7
342.24597	3.1
354.24399	11.6
355.24753	1.7
362.21152	2.4
368.22339	1.9
380.22299	10.4
386.23453	6.8
398.23367	32.2
399.23587	3.0
404.24350	6.1
415.65756	1.3
416.24460	64.9
417.24692	6.3
434.25369	16.2
467.19730	1.5
490.28122	32.3
491.28452	3.8
504.25961	1.4
508.29205	9.6
522.27112	19.6
523.27423	2.5
534.27087	18.9
535.27576	2.8
552.28156	100.0
553.29340	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1773
Annotation	Prinsepiol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01380	4.0
65.06364	1.2
71.01370	2.5
71.60078	1.6
79.95727	3.0
81.19259	1.1
89.02452	1.6
93.03461	2.2
96.96014	28.3
101.02451	2.4
103.00370	2.0
113.02457	2.1
115.00375	1.8
119.05011	2.8
119.14568	1.0
121.02973	4.8
122.03749	6.4
123.04513	7.7
124.01703	1.1
128.03508	2.2
133.01440	3.4
133.02974	3.0
134.03746	84.2
135.04176	1.8
136.01672	3.6
137.02472	11.2
139.04022	3.5
147.04530	3.0
149.02461	14.4
149.04909	1.3
149.06082	19.5
150.03227	49.7
151.04012	26.7
153.05652	1.8
160.01663	3.6
163.04037	1.3
164.04756	2.3
164.98619	1.4
165.05568	57.8
166.05875	2.0
175.04013	3.9
176.04785	2.8
178.02722	36.5
180.04306	3.4
181.05061	18.5
182.05637	1.1
191.07144	3.9
192.04274	3.4
193.05057	100.0
194.05423	3.7
195.06628	21.1
205.04948	1.2
207.06636	1.8
235.06143	14.0
253.09204	2.9
267.06616	1.2
271.02396	5.4
282.08990	2.2
297.11725	1.4
309.69797	1.3
315.18152	5.5
315.21414	1.3
341.10382	4.9
389.12405	83.1
390.12827	5.4
418.09305	1.8
431.13654	2.6
465.14349	20.4
466.14890	2.1
507.15433	13.5
551.17737	28.9
552.17639	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	550.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90945	0.6
57.82031	0.6
61.98834	100.0
70.21471	2.0
96.96056	0.6
98.20685	0.6
105.26064	0.6
192.58372	0.7
252.20776	0.9
276.57224	0.6
381.65152	0.7
405.89908	0.6
521.24463	0.6
554.81390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49992	0.4
57.60290	0.4
59.01379	0.5
61.98834	100.0
69.26067	0.4
71.08859	1.0
71.09203	0.5
104.25640	0.5
107.02857	0.4
111.61625	0.4
121.55737	0.5
127.84174	0.4
153.51422	0.4
166.34601	0.4
180.56342	0.4
251.20290	0.4
252.20398	0.8
266.07864	0.5
363.39676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59108	0.9
57.03442	1.4
57.32033	0.9
58.02975	9.0
58.99597	1.4
59.01383	11.9
61.98821	1.5
69.83740	4.9
70.02977	1.3
71.01389	4.1
72.00912	1.7
74.02074	1.5
74.02478	21.1
79.95738	4.0
80.96544	1.6
81.04588	1.7
82.02977	2.6
85.02958	1.6
86.02494	7.7
86.99125	2.1
87.05643	4.2
89.02444	1.3
90.00203	1.2
95.95267	1.4
96.96014	54.7
97.04074	3.2
98.19959	1.2
99.05644	15.5
101.07220	2.5
102.05599	3.6
103.00365	2.8
107.06095	1.3
109.04076	1.8
109.06586	1.3
111.05613	1.1
112.04032	1.6
115.00388	6.1
115.01089	1.2
116.01681	1.1
123.05636	2.3
124.04055	1.1
125.03590	1.8
126.01924	0.9
127.05143	2.8
128.03548	51.0
129.99707	1.0
133.01428	7.6
135.05655	4.3
137.07227	1.6
141.06706	3.8
142.81409	1.0
143.04628	60.7
145.06204	1.7
146.04610	5.5
153.06734	4.8
159.04466	1.4
160.00749	14.7
164.98625	3.0
165.09140	0.9
166.09871	2.8
167.04601	4.0
167.08247	2.3
177.03365	6.1
179.04642	15.0
181.06244	1.9
184.10945	1.1
184.31061	0.9
185.05658	2.3
192.07832	1.1
193.05075	0.9
197.05627	2.6
210.08826	11.9
211.09697	1.7
241.00174	1.7
254.07794	19.2
255.10229	2.6
272.08875	25.8
285.03998	1.0
288.06674	7.6
297.11368	2.2
298.11563	2.2
299.12866	2.8
301.03207	1.1
306.07660	100.0
307.08026	4.3
310.11566	1.8
314.07712	0.9
332.09207	3.7
359.14951	1.8
391.17624	3.3
435.16577	5.6
465.14359	31.4
506.10037	1.4
507.15445	17.1
533.13501	1.0
550.20569	8.5
551.14343	14.8
551.22095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39041	0.2
55.01881	1.4
57.03447	2.0
58.00583	0.4
59.01382	100.0
60.01722	0.7
61.98836	1.9
69.03456	0.6
71.01387	12.6
71.16352	0.4
72.99319	0.9
73.02951	3.9
75.58245	0.3
81.03490	0.3
83.01392	4.4
85.02958	8.8
86.00124	0.4
87.00883	0.8
89.02465	0.7
93.66178	0.3
95.01386	1.5
96.96028	0.9
97.02962	0.9
99.00894	1.5
101.02453	8.8
111.00884	1.3
112.01687	0.5
113.02453	6.6
114.02739	0.2
115.00382	0.4
115.04049	0.6
116.05081	0.4
116.92790	0.3
124.01692	0.5
125.02437	1.3
127.11255	0.3
129.01941	0.4
133.01448	0.3
141.12886	0.4
143.03456	1.6
159.02988	0.8
161.04573	2.0
166.79131	0.3
171.13898	1.3
185.15430	0.3
190.48727	0.2
205.03542	0.4
240.03789	0.4
263.72989	0.2
279.23331	0.8
281.25079	0.3
297.24493	0.5
299.25861	3.4
300.04968	0.3
301.49228	0.2
325.27872	0.3
327.29214	0.4
343.28473	0.3
345.30103	7.6
346.30469	0.3
387.31107	0.4
441.32214	0.7
453.32059	0.3
459.33200	0.8
489.34341	52.5
490.34698	5.7
507.35376	24.9
508.35901	2.2
549.14435	1.4
549.36810	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.6
69.46481	4.6
71.01379	2.3
78.95895	0.9
85.02929	0.7
89.02443	2.1
96.96020	1.2
101.02444	2.5
108.02193	4.5
109.02930	1.9
113.02477	0.7
119.03468	0.7
152.01192	2.0
153.01904	0.9
161.04570	0.7
177.27551	0.7
211.13553	0.8
216.47314	0.6
235.08279	1.2
253.09311	9.5
253.21730	100.0
254.22076	4.3
285.25009	0.7
549.26971	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	549.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18288	2.3
57.03462	3.3
59.01371	5.9
61.98823	3.0
70.40600	2.2
71.01381	3.0
71.05022	5.6
78.95900	3.0
79.92487	2.7
97.02962	3.0
97.06580	4.4
99.00886	22.7
109.17541	2.5
115.51727	2.2
117.51045	2.4
125.09750	13.5
142.02687	3.3
145.23547	2.2
146.60216	2.5
149.75731	2.6
153.12845	2.4
161.23146	2.4
163.11259	16.1
163.12323	2.2
179.10789	5.1
181.12338	53.8
182.12688	3.8
199.13435	12.6
207.10283	42.6
207.64693	2.7
208.10651	2.9
220.26167	2.1
225.11317	100.0
226.11581	2.5
243.12381	46.5
243.14691	2.5
249.18610	70.7
299.14963	16.9
317.16074	43.7
323.15686	2.7
402.08624	2.9
549.34302	37.0
550.34424	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	549.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	0.7
59.01383	12.8
71.01381	2.5
71.15633	0.9
85.02917	0.4
87.00914	0.4
89.02451	1.8
101.02450	2.8
113.02453	1.6
119.03510	1.1
133.05052	0.6
161.04553	0.9
211.13345	0.5
235.08237	1.9
239.05225	0.4
246.32394	0.3
253.09329	12.4
253.21736	100.0
254.22090	6.0
368.24994	0.4
489.30768	0.5
527.77802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67810	1.3
59.01371	2.9
61.98822	3.2
68.02927	1.1
70.05876	5.1
70.18099	1.3
71.01385	5.8
71.48821	1.2
73.02942	1.4
78.98610	5.8
79.95734	7.7
80.96522	68.7
81.03432	1.5
85.02966	3.0
87.00883	2.6
87.27554	1.2
90.99973	1.3
94.98083	18.6
96.96031	6.6
97.02926	1.6
101.02443	2.6
106.98087	4.1
121.00368	1.3
121.02967	1.9
122.97594	6.2
125.02432	3.2
131.34662	1.3
134.97572	3.5
148.99144	5.1
152.98650	6.4
164.98653	10.0
165.02017	1.3
182.99648	2.6
206.99615	3.4
225.00775	17.7
244.12062	1.2
274.67984	1.2
299.04590	2.3
395.65167	1.2
463.19852	5.1
505.20828	1.4
548.30768	1.6
549.23792	100.0
549.30389	6.4
550.24011	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	549.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
58.32570	0.8
59.01385	52.7
61.98823	0.9
67.17380	0.9
69.59128	5.7
71.01387	23.4
72.99309	2.6
73.02959	7.2
74.02474	1.5
79.95737	7.7
81.03428	1.1
83.01388	2.1
83.05032	1.9
85.02964	7.0
87.00878	2.8
89.02450	11.7
95.91629	0.7
95.95238	2.7
96.96021	27.0
97.06596	1.6
99.00883	0.9
101.02454	12.2
103.00378	2.4
113.02448	6.4
114.23316	0.9
115.00388	6.9
119.03506	3.8
123.08176	1.2
125.09772	1.0
129.01936	1.1
133.01442	10.4
134.25481	0.8
135.04460	0.8
137.09767	0.8
138.97186	0.9
139.11288	1.3
141.09230	1.0
150.97101	1.0
152.98639	1.1
155.10818	0.8
161.02470	1.6
161.04607	1.6
164.04543	0.8
165.09267	1.0
167.10822	1.2
167.97314	0.8
171.30399	0.8
176.33374	0.9
177.01860	1.0
177.12866	1.0
178.09999	1.0
185.05798	1.2
191.07195	1.4
201.09341	1.2
201.11154	1.4
214.06268	1.1
229.08815	1.4
241.00261	1.5
246.05319	0.9
256.99582	1.1
291.19705	3.8
297.11377	5.0
299.18698	1.3
305.10312	3.9
306.07831	1.3
309.20602	1.4
315.12399	3.1
320.27985	1.0
327.21878	1.3
369.22852	18.1
370.23154	1.3
389.16101	6.0
390.16675	1.0
396.98352	0.9
433.24527	4.3
448.10312	2.6
463.12750	17.4
464.12994	1.6
489.26752	1.6
505.13870	10.5
531.28064	1.3
549.12958	7.6
549.29266	100.0
550.13434	1.1
550.29785	10.7
550.43402	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	548.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14293	0.5
61.98826	1.5
63.94341	0.4
68.73669	0.5
70.62421	1.0
70.62803	0.7
75.99090	0.4
78.95914	8.9
80.96526	0.6
82.25945	0.6
90.18375	0.5
96.96001	0.6
118.96328	0.6
121.02973	0.5
123.04516	1.3
137.06090	1.7
139.03957	0.5
140.01202	3.5
152.99600	0.8
165.09247	1.4
196.03847	1.4
196.47618	0.5
211.82504	0.5
214.04906	3.7
217.15923	0.8
245.19127	2.1
263.16666	0.9
265.17984	0.7
289.25314	3.8
307.26248	0.6
315.23349	1.0
333.24359	100.0
334.24747	8.1
351.25406	34.6
352.25589	2.6
548.29962	25.5
549.22961	1.0
549.30408	2.8
550.60095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98845	0.3
69.61810	0.8
69.62222	0.4
77.03969	2.0
78.95934	0.4
86.30457	0.2
98.20624	0.4
121.02962	100.0
122.03311	2.3
137.02460	0.3
165.01936	53.1
166.02243	1.6
166.85742	0.3
180.05772	0.5
181.06618	2.0
197.06096	2.3
199.07585	0.3
207.04462	1.1
207.08238	0.4
223.04207	0.3
225.05634	1.6
242.16841	0.2
251.07104	0.3
257.09717	0.6
268.11719	0.2
285.09357	0.3
313.07169	1.4
357.06097	0.6
383.07813	0.5
417.09842	1.9
505.11340	1.8
543.60986	0.3
549.10413	27.3
550.10779	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	548.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92633	0.4
60.47291	0.5
61.98804	0.5
71.31770	0.7
78.95917	11.1
91.07521	0.4
92.29814	0.4
96.96009	0.5
103.80993	0.5
123.04519	0.8
137.06070	1.4
140.01236	2.8
152.67758	0.4
152.99606	1.6
162.10471	0.6
165.09224	1.5
165.12901	0.6
171.00670	0.6
196.03882	1.7
212.55237	0.4
214.04852	4.3
217.15970	0.8
245.19110	1.6
263.16547	0.5
270.07623	0.5
289.25409	3.5
307.26636	0.7
315.23410	0.9
333.24356	100.0
334.24713	7.1
351.25397	31.1
352.25571	2.6
548.29956	22.7
549.30182	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	548.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41496	0.9
59.01381	7.9
61.98829	5.2
70.19921	0.9
70.73814	2.1
71.01369	1.7
78.95908	44.5
79.95737	1.0
80.96535	5.6
85.38377	1.1
94.98041	1.5
96.96005	7.3
98.20700	1.0
122.00150	1.7
123.04492	1.3
140.01201	9.4
151.64232	0.9
152.99597	4.0
156.95033	0.9
163.12965	0.9
165.09219	1.7
165.12819	1.2
165.87260	1.0
171.00606	1.1
196.03810	14.0
214.04828	4.0
224.07008	2.2
227.95374	1.1
231.73413	1.2
245.19119	2.3
249.18613	23.0
265.17972	4.9
288.35345	1.0
289.25360	3.8
300.26297	1.1
315.23218	1.2
333.24353	100.0
334.24634	8.7
351.25400	48.9
352.25699	4.2
462.19052	3.6
463.19843	1.1
474.26260	17.2
504.19913	1.4
548.19446	2.9
548.29938	62.7
549.23242	6.4
549.31403	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	548.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27676	1.4
51.32178	1.3
53.53555	1.5
55.49363	1.5
59.01385	25.9
61.98832	100.0
71.01389	5.9
71.48256	1.8
73.02956	5.8
83.01376	2.2
85.02942	2.4
89.02386	1.5
96.96030	8.6
101.02455	9.0
113.02430	3.3
161.04503	3.4
176.33459	1.6
191.08951	1.6
344.75061	1.7
364.07660	1.6
488.32791	2.3
523.52179	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99803	0.2
51.31471	0.2
53.73565	0.2
59.01384	0.5
61.98832	100.0
69.39561	1.5
80.96544	0.5
83.16612	0.2
96.96047	0.3
98.65854	0.2
111.11096	0.2
119.88438	0.2
225.00748	0.2
237.82872	0.2
249.18784	0.5
250.19009	0.7
251.19060	0.4
252.19572	0.2
284.72943	0.2
380.67017	0.2
412.44437	0.2
549.24310	0.7
558.24725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.21459	0.5
70.29846	2.0
93.07422	0.4
98.19987	0.6
139.31076	0.5
150.01797	0.5
198.94826	0.5
341.19092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70706	0.5
52.21365	0.6
52.24184	0.6
57.03437	1.0
58.00557	0.5
59.01382	29.5
60.01748	1.0
61.98835	100.0
66.36868	0.6
70.73162	0.5
71.01395	4.5
71.60828	0.6
73.02948	0.8
73.20789	0.5
75.00865	0.5
78.95887	1.0
79.95754	1.4
83.01418	0.7
85.02967	3.9
89.18393	0.6
95.01395	1.0
95.95268	1.4
96.96030	3.9
101.02465	2.5
113.02458	1.4
116.05061	0.7
133.01389	0.9
161.04630	1.1
169.06589	0.6
183.10283	1.1
191.02116	0.7
199.53909	0.7
209.03040	2.0
235.43629	0.6
373.06671	0.8
380.33371	0.6
399.23715	0.7
487.33109	0.9
488.33432	2.5
506.34094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14418	0.3
55.01883	1.6
55.19884	0.3
57.03443	1.8
58.00602	0.4
59.01382	100.0
60.01723	0.6
61.98835	2.2
69.03471	0.6
69.29556	3.2
71.00990	0.6
71.01387	13.5
71.05018	0.5
72.99318	0.7
73.01810	0.3
73.02950	4.4
83.01389	3.9
85.02953	7.8
87.00886	0.8
89.02465	0.9
94.67850	0.3
95.01402	1.6
95.52619	0.3
96.96020	1.5
97.02963	1.1
97.91443	0.3
99.00863	2.2
101.02446	9.6
111.00896	0.9
112.01669	0.6
113.02456	6.2
115.04026	0.9
116.05077	0.5
125.02449	1.5
129.01979	0.5
133.01480	0.4
143.03531	1.6
143.10785	0.4
159.02979	0.7
161.04558	3.5
167.66742	0.3
171.32953	0.3
177.34828	0.3
190.31944	0.3
197.15508	0.7
218.35332	0.3
279.23355	0.7
297.24319	3.3
318.33273	0.3
325.27576	0.6
343.28497	7.4
344.28989	0.3
375.23914	0.4
409.22360	0.3
439.30853	0.7
457.31808	0.5
487.32779	40.3
488.33139	3.7
505.33847	21.5
506.34070	2.5
547.34985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.1
61.98825	0.5
62.81941	0.5
71.01393	2.9
73.02969	0.7
78.95918	0.7
83.05045	0.5
85.02965	0.6
89.02458	2.6
92.07857	0.4
94.23475	0.5
94.58242	0.5
98.19818	0.7
101.02432	3.2
108.02190	1.4
109.02903	0.6
113.02448	1.6
119.03521	1.1
119.79475	0.6
123.04540	0.6
143.03487	0.6
151.69171	0.4
152.01134	1.2
153.01968	0.6
161.04604	1.2
176.64780	0.4
180.93120	0.5
233.19115	1.0
235.08170	1.9
237.31746	0.5
251.20172	100.0
252.20529	5.4
253.09303	15.6
254.09607	0.8
467.83911	0.5
547.25543	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69594	0.3
55.01878	0.9
57.03448	1.6
58.00602	0.4
59.01382	100.0
60.01727	0.8
61.98832	3.4
69.03471	0.4
70.02095	0.6
70.02488	0.8
71.01388	16.6
71.05048	0.3
72.01723	0.4
72.99333	1.0
73.02953	3.6
75.00906	0.3
78.95959	0.3
79.95747	0.3
83.01393	2.5
84.02172	0.3
84.60866	0.3
85.02960	9.0
86.00095	0.4
87.00874	0.9
89.02451	4.1
95.01417	1.9
96.96028	1.3
97.02946	0.8
99.00880	2.4
99.08160	0.3
101.02450	10.0
101.10428	0.3
111.00911	1.0
112.01743	0.4
113.02455	11.0
114.41238	0.3
115.00407	0.9
115.04025	0.4
116.05066	5.0
116.05815	0.4
117.05428	2.0
119.03461	1.4
121.10246	0.7
124.01770	0.4
125.02460	1.1
128.03520	0.4
129.01988	0.4
134.03801	0.3
143.03525	1.6
143.10829	0.9
146.06166	0.4
159.03026	1.5
161.04579	7.7
161.05856	0.6
165.05473	0.3
171.13962	0.4
175.04048	0.4
179.05692	0.4
185.15532	0.5
193.05138	0.6
203.16565	0.3
205.03711	0.3
262.10620	0.3
269.13031	0.6
270.13361	0.9
287.15240	0.5
325.27551	0.5
329.19833	0.7
342.87610	0.3
343.28381	2.3
347.20825	0.9
387.19147	0.7
430.17770	1.1
431.18130	5.2
469.31952	0.7
487.32776	32.1
488.33212	3.1
505.33871	17.9
506.34134	1.7
547.14545	0.3
547.35321	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.4
60.25351	0.3
61.98844	0.7
62.35899	0.2
65.00346	0.4
69.84626	0.3
70.03639	1.0
71.01384	0.8
83.01420	0.4
85.02982	0.9
88.98817	0.3
90.22202	0.3
93.03488	0.7
96.96040	0.8
101.02439	0.3
107.01432	0.6
109.02969	0.3
115.00391	0.5
117.03432	0.4
119.05018	0.3
128.03564	0.4
132.02219	0.3
133.02969	0.7
134.03741	0.3
135.00888	0.4
135.04544	0.9
143.04881	0.3
151.00369	1.1
154.04311	0.5
155.05009	0.5
159.04549	0.7
160.01689	0.4
161.02473	1.6
162.02798	0.4
163.00450	0.4
168.05838	0.3
169.06673	1.4
171.04509	0.7
173.02385	0.7
175.03961	0.4
183.04520	1.4
185.06117	1.1
187.04037	0.6
189.05592	0.6
191.02051	0.3
193.55807	0.3
197.05995	0.3
201.05627	0.4
211.04013	1.6
213.05487	1.4
214.02730	0.7
215.03467	0.5
220.24141	0.3
227.03413	2.2
229.05064	0.8
232.85962	0.3
239.03473	0.8
240.04260	0.4
243.03026	0.8
255.02992	19.5
256.03409	0.9
256.17770	0.3
257.04562	1.2
283.02493	40.9
284.03064	3.7
285.04053	100.0
286.04419	6.1
299.15671	0.3
328.09579	0.4
343.11612	0.3
400.08002	9.0
401.08752	12.8
402.09116	0.6
431.09805	4.8
432.09955	0.4
547.14539	18.9
548.15063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03453	1.4
58.00595	0.5
59.01381	100.0
60.01721	0.8
61.98820	3.3
69.03481	0.5
71.01388	22.5
71.05033	1.0
71.60845	0.6
72.01736	0.9
72.99315	0.8
73.02951	7.3
75.00856	0.6
79.95744	0.7
83.01389	4.0
83.07375	0.4
85.02954	11.6
85.03456	0.8
85.06596	0.9
87.00893	1.8
89.02449	4.1
95.01412	1.9
96.96014	5.5
97.02967	0.8
97.06593	0.8
99.00877	2.8
101.02448	12.6
103.00352	0.5
111.00910	1.4
113.02454	11.1
115.00406	0.6
116.05098	1.2
119.03515	1.3
125.02433	0.8
128.03592	0.7
133.01472	0.7
133.02924	0.4
137.09767	0.4
139.11369	0.5
143.03542	2.7
143.04543	0.6
155.02893	0.4
159.02991	1.1
161.04541	5.2
162.02428	0.4
162.04979	0.5
169.12231	0.6
173.81071	0.5
177.01888	0.6
179.05692	0.5
211.16920	2.2
215.07585	0.4
249.18645	0.9
267.15918	0.6
269.21307	0.6
285.04102	0.9
309.20895	0.6
310.15555	0.6
311.26144	0.5
323.25848	3.1
331.17871	0.5
341.27103	3.8
345.19162	0.6
417.18076	1.2
423.67905	0.5
455.30478	0.7
459.13531	0.7
459.19226	2.8
467.30060	5.5
468.30731	0.7
485.31183	40.8
486.31436	4.1
501.20584	1.4
503.32288	22.4
504.32480	2.4
545.19189	1.6
545.32825	1.9
546.23865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03459	1.0
58.00594	1.9
58.29805	0.3
59.01381	100.0
60.01724	0.7
60.97003	0.3
61.98833	1.2
69.03479	0.3
70.55686	0.6
70.56050	0.6
71.01385	34.4
72.01736	0.6
72.99304	2.5
73.02950	5.9
75.00865	0.6
83.01389	2.8
83.05070	0.4
84.04568	0.3
85.02956	7.0
87.00881	1.5
88.08735	0.3
89.02448	32.1
90.02792	0.4
95.01413	2.3
95.95290	0.3
96.96004	2.0
99.00898	1.0
100.54308	0.4
101.02448	19.0
102.02813	0.4
109.06605	0.3
111.62284	0.3
113.02455	19.9
114.02814	0.3
115.00376	0.6
119.03511	14.0
120.01223	0.4
120.03833	0.3
125.02470	0.5
127.05118	1.7
131.03497	2.2
133.01463	0.7
133.02953	0.9
134.03799	0.4
135.04585	0.7
139.08783	0.4
143.03522	2.9
143.04550	0.4
145.06195	1.3
149.04581	1.4
160.01721	0.7
161.02487	2.5
161.04568	6.9
162.02296	2.4
175.03960	0.6
177.01942	0.9
179.03442	0.5
179.05600	5.8
190.99860	0.4
237.02666	0.3
241.18169	0.3
249.15019	0.4
284.03326	0.3
285.04025	5.7
336.16949	1.3
337.17642	1.3
363.07660	0.3
404.48242	0.3
428.70645	0.4
429.21170	3.8
485.31232	6.6
486.31778	0.5
502.28574	0.7
503.32327	6.0
503.39108	0.5
504.33261	0.4
545.26483	0.3
545.32806	4.1
546.13123	0.4
546.32898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26238	0.2
55.01881	0.7
57.03443	0.8
58.00592	1.7
59.01381	100.0
59.21991	0.2
60.01715	0.9
61.98850	1.2
71.01385	28.0
71.05052	0.2
72.99305	2.0
73.02948	4.8
83.01390	2.0
85.02954	7.7
87.00893	1.9
89.02447	25.2
95.01389	2.5
96.96047	0.8
97.02951	0.4
98.20640	0.7
99.00875	1.4
101.01461	0.3
101.01872	0.2
101.02446	17.5
113.02452	20.2
119.03506	10.9
124.01688	0.4
125.02486	0.9
127.05154	0.4
128.03578	0.4
131.03529	1.7
133.01472	0.4
135.04471	0.3
143.03494	2.5
145.06233	0.5
149.04622	0.9
159.03059	0.4
161.04549	5.5
161.05835	0.4
177.01910	0.3
179.05618	5.9
235.96315	0.3
292.52719	0.2
322.27173	0.3
323.26035	0.5
336.17108	0.3
341.27081	0.6
376.66974	0.3
467.30612	0.4
485.31180	8.3
485.37982	0.5
486.31833	0.9
503.32285	7.8
504.32916	0.6
545.32556	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	545.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03453	1.6
57.03695	0.3
58.00598	0.4
59.01383	100.0
60.01717	0.8
61.98831	1.1
63.49010	0.3
69.03458	0.7
69.29643	1.2
69.30067	1.2
70.67727	0.3
71.00990	0.6
71.01387	12.3
71.05013	0.6
72.99319	0.7
73.02953	4.4
83.01399	5.2
85.02441	0.5
85.02956	8.4
85.03447	0.5
85.06595	0.2
86.00114	0.5
87.00898	0.9
87.04516	0.4
89.02465	0.8
95.01392	1.4
97.02966	1.3
99.00883	2.3
101.01776	0.5
101.02450	10.9
105.84710	0.3
111.00907	1.4
112.01707	0.6
113.02457	5.8
113.47034	0.2
115.04004	0.3
116.44328	0.3
121.10249	0.9
125.02442	1.5
125.09739	0.3
129.01949	0.4
143.03491	1.7
159.03026	1.1
161.04558	3.3
171.13904	0.7
173.65363	0.3
178.66895	0.3
201.59322	0.3
221.04924	0.3
221.07162	0.4
251.20201	0.5
281.24957	0.9
293.24960	0.4
305.24924	1.2
311.26059	0.6
323.26086	0.5
341.26990	3.7
395.24338	0.6
411.14749	0.3
413.09378	0.3
413.25400	1.8
425.29105	0.9
437.29263	0.7
449.28961	2.2
455.30341	0.9
467.30164	3.6
485.31201	19.1
486.31561	1.8
503.32303	17.9
504.32776	1.9
545.32935	0.5
546.14172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96866	2.8
56.92129	2.5
58.11658	2.6
59.42823	2.4
61.98828	5.9
69.31503	14.1
69.31921	12.6
78.95908	100.0
78.96371	5.2
99.92581	22.7
110.98529	17.8
115.92085	33.4
116.92870	23.2
151.01712	3.2
152.99516	4.8
164.99506	3.6
167.01125	11.0
172.49057	2.8
178.88406	7.8
179.89220	50.5
180.90002	14.5
183.03903	2.5
193.90784	48.0
194.91595	24.2
196.89497	68.3
249.93304	4.7
250.94127	6.0
277.21704	7.6
307.53186	2.6
339.31454	3.4
433.16492	4.8
452.23727	3.0
527.15204	19.2
528.15271	3.7
541.13147	11.1
545.16162	58.6
546.16284	8.1
550.99115	2.6
563.16327	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	544.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
58.09148	0.9
59.01382	46.9
60.01712	2.1
61.98823	4.7
64.51704	0.9
69.53267	7.7
69.58420	0.9
71.01383	23.5
73.02950	2.5
75.32503	0.9
83.01372	1.6
85.02945	3.6
89.02434	3.0
89.42646	0.9
89.67027	1.0
91.09493	1.0
92.60548	1.1
96.96009	5.2
101.02474	5.3
113.02462	4.8
114.87454	0.9
115.00370	17.1
115.92093	1.5
119.03484	1.5
120.01259	69.0
127.04141	1.1
128.03604	1.0
133.01445	1.9
142.94397	1.0
155.44736	1.0
161.04539	2.9
245.19147	5.7
263.20148	41.3
264.20532	1.5
271.17050	1.5
273.60883	1.1
289.18115	3.0
303.32584	0.9
307.19162	100.0
308.19501	6.0
341.17929	16.3
405.73730	1.1
428.21024	46.2
429.21362	3.1
484.30057	2.4
485.31174	4.4
503.32339	3.5
544.22327	2.3
544.30182	1.7
545.20428	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24229	1.5
54.80757	1.5
56.51277	1.6
61.98829	7.6
63.37799	1.5
69.39695	1.6
71.01366	4.8
74.47292	1.8
74.83829	1.4
78.95906	100.0
82.37218	1.6
96.96966	2.1
99.92593	26.5
110.98528	17.6
115.92084	23.1
116.92092	2.5
116.92864	18.2
133.02933	3.5
134.03671	2.5
150.98058	2.1
151.01669	3.4
154.94286	1.7
160.01683	1.8
161.02280	2.0
163.89732	1.8
164.99597	6.5
166.30693	1.5
167.01144	12.1
175.03964	6.0
176.04321	3.1
178.88431	11.7
179.89223	32.9
180.90038	19.3
181.90860	2.4
189.91127	2.0
193.05177	2.3
193.90765	47.1
194.05293	2.1
194.87920	2.1
194.91602	16.8
196.89488	96.7
197.89479	3.0
210.91054	6.8
212.34151	1.6
235.91711	1.7
236.92647	2.1
249.93417	5.0
250.94090	7.9
252.92139	2.2
266.93695	5.9
267.94388	3.8
277.21710	14.1
393.57718	1.6
445.23239	3.0
452.25372	2.6
453.25256	2.4
458.08459	2.1
470.26657	2.9
471.26773	2.0
497.14355	2.3
527.15186	20.9
528.15240	2.0
541.12836	7.5
544.30042	5.8
545.16107	62.7
545.28882	7.5
546.16498	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	543.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.2
61.98848	1.4
69.73115	1.5
71.60864	2.1
73.18694	1.4
76.42320	1.3
78.95903	5.8
88.50256	1.5
96.74186	1.3
105.03440	7.2
117.03418	2.3
132.02180	8.6
133.02968	26.8
134.03752	41.4
135.04570	15.4
137.02449	5.7
147.04564	2.3
148.05325	11.6
149.06093	7.4
152.35349	1.7
158.07368	1.8
160.01677	32.0
161.02444	13.7
175.04008	72.6
177.01878	1.7
178.02722	6.4
179.03508	12.8
192.09193	1.4
193.05029	22.8
202.08008	1.3
202.15645	1.2
267.08716	2.5
275.20313	1.8
277.21753	5.7
285.11414	3.2
293.21280	4.2
325.14566	2.1
383.25958	2.2
437.23013	3.9
445.23343	2.1
451.24924	21.3
469.25958	33.3
470.25940	3.1
528.27472	2.1
543.29669	100.0
544.29895	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	543.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21567	0.5
56.45530	0.6
59.01381	15.6
59.70459	0.6
69.43214	2.3
69.43639	2.5
71.01379	2.1
79.95741	9.5
80.96533	3.0
85.02937	1.5
85.56390	0.7
87.04527	9.1
90.70451	0.6
95.95227	1.6
96.96014	100.0
101.02408	1.4
103.00387	10.4
126.89032	0.6
150.97156	0.7
152.98642	1.7
164.98663	4.2
180.98128	1.8
216.87871	0.7
241.00272	4.8
351.11029	1.4
369.12216	35.3
370.12564	2.2
411.13315	9.2
439.16214	1.1
457.17493	98.0
458.17902	7.6
499.18558	50.2
500.18866	3.4
525.16113	1.0
543.17529	48.5
544.17993	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	543.2966
Annotation	CHEBI:69141
Peak:m/z	Relative Intensity
50.80935	0.6
59.01384	2.6
70.62819	1.4
78.95905	1.5
89.02487	0.9
91.04015	2.0
95.05027	1.5
98.01296	0.6
105.03465	6.8
116.92847	0.7
117.03446	1.6
121.02972	1.0
123.04511	0.8
132.02165	6.7
133.02968	25.6
134.03758	36.6
135.04555	15.7
137.02461	6.7
139.03986	1.3
145.06638	1.1
147.04573	2.1
148.05310	11.6
149.06096	5.1
150.03304	0.7
158.07343	2.1
160.01669	35.7
161.02454	13.1
162.06841	1.2
175.04016	69.4
175.12811	0.6
176.04382	2.3
178.02727	6.3
179.03506	13.4
189.05553	0.9
191.03484	0.9
193.03297	1.4
193.05057	24.8
194.02193	0.9
263.20346	0.9
267.08749	1.3
275.20126	2.3
277.21652	1.5
285.11191	3.6
293.21225	4.3
311.13101	1.0
325.14526	2.1
383.25900	1.9
437.23160	1.8
451.24908	26.1
452.25101	2.2
469.25995	29.6
470.26324	2.4
481.35541	0.8
528.27368	1.6
543.29651	100.0
544.29974	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	541.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.6
60.99310	15.4
61.98861	0.4
67.14032	0.3
71.60443	0.5
78.95908	0.4
79.11854	0.3
87.00877	1.1
88.00413	1.8
88.04086	0.6
88.98813	100.0
89.02448	4.8
89.99158	0.6
103.60161	0.4
107.25794	0.3
113.69104	0.3
219.10146	0.4
316.63547	0.4
377.78577	0.3
387.70358	0.4
451.33542	0.4
541.16687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.0
61.98844	0.7
64.63692	0.5
69.94852	2.5
71.01385	0.9
73.02933	1.0
79.95743	6.7
80.96528	2.5
85.02960	1.2
87.04520	6.3
95.95232	0.9
96.96020	100.0
101.02427	1.9
103.00388	10.9
109.84158	0.5
138.97050	1.0
139.51332	0.5
150.97086	0.8
152.98651	1.1
164.98647	3.8
180.98199	3.0
241.00224	5.5
351.11176	2.0
369.12244	33.3
370.12427	2.0
385.39960	0.5
411.13391	8.4
457.17508	84.4
458.17880	5.8
499.18591	43.9
499.29391	0.7
500.18863	2.5
525.16425	2.3
536.57556	0.5
543.17560	40.4
544.17877	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	537.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63392	1.4
59.01384	100.0
61.98827	2.3
70.72971	3.0
70.73306	1.7
96.95985	1.8
110.23110	1.3
169.04880	1.4
171.10257	8.2
205.15921	1.6
209.11850	1.7
211.13367	2.6
233.15361	3.6
249.14885	4.7
301.55038	1.4
385.23746	2.2
423.16635	1.5
443.62277	1.6
459.27640	16.6
477.28482	10.1
529.63031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	1.1
59.01384	21.7
61.98830	4.3
67.30672	0.6
71.01377	4.9
71.60291	0.8
72.99305	0.7
73.02939	1.1
78.95879	0.8
79.95744	20.0
80.96514	2.9
82.24649	0.7
85.02949	2.2
87.00883	0.9
89.02442	0.9
92.59427	0.6
95.95246	7.5
96.04643	0.7
96.96017	100.0
98.95589	1.0
101.02444	1.4
103.00388	9.4
113.02441	1.4
116.05099	1.0
122.97626	0.9
127.05160	1.2
133.01443	1.0
138.97046	1.5
145.81958	0.9
147.26634	0.7
150.97040	2.6
152.98665	2.6
164.98656	3.1
177.04094	1.1
180.98184	1.5
194.99680	0.8
225.00786	1.4
239.89017	0.7
241.00214	4.3
256.99695	5.7
285.04132	1.2
299.00842	0.8
435.16678	1.7
451.16504	0.7
453.18018	96.8
454.18405	8.1
495.19067	38.7
495.26450	1.4
496.19089	4.3
521.16638	1.0
539.17975	33.7
540.18280	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2476
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
59.01386	21.3
61.98842	6.4
67.89863	1.2
71.01393	3.5
71.31895	2.8
73.02969	1.5
78.82233	1.1
78.95910	35.6
79.95735	1.4
83.05035	1.4
96.96020	15.7
96.96973	3.9
98.95612	3.8
111.08160	11.4
115.00360	1.8
116.98533	1.2
127.60588	1.3
134.03732	4.6
135.04535	3.4
152.99597	53.0
160.01714	4.1
161.02444	2.1
169.12344	4.6
171.00627	3.1
175.03979	2.7
181.12375	1.4
193.05093	1.4
197.11845	56.3
198.12180	1.9
199.13412	1.5
211.13438	5.4
219.73532	1.3
227.03317	5.1
245.04413	2.6
263.20236	2.5
278.72980	1.2
291.19617	7.7
309.20764	28.2
310.21246	1.6
445.20190	2.1
451.16101	5.0
493.17508	3.0
537.24823	100.0
538.25592	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	537.2471
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
56.59672	0.8
57.03450	0.8
59.01385	8.3
61.98817	4.2
66.48184	0.8
70.55457	0.9
70.55830	2.7
71.01368	2.8
72.99298	0.9
78.95908	39.9
79.95699	1.0
87.00884	1.1
96.96010	11.0
96.96958	2.2
97.02984	1.3
98.20624	0.9
98.95613	4.0
98.96192	0.7
103.00366	2.3
111.08154	8.8
112.53651	0.8
113.02360	0.7
115.00382	1.5
150.97980	1.6
151.11243	1.0
152.99597	47.1
153.12880	1.4
153.99933	1.3
165.12804	1.0
169.12326	6.0
171.00598	3.2
171.10194	1.3
187.43269	0.8
197.11824	51.0
198.12167	2.3
199.13451	1.1
211.13364	4.6
224.47423	0.7
227.03297	4.9
229.08673	1.0
241.00255	1.2
245.04251	2.4
263.20111	2.0
291.19693	8.9
309.20724	26.1
310.20917	1.7
445.19836	3.3
451.10443	1.5
451.16034	3.5
517.06445	0.8
537.15710	7.7
537.24628	100.0
538.17322	1.5
538.24988	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	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
61.98825	2.2
63.28105	0.7
69.29415	3.3
69.29841	4.2
71.01385	14.9
76.91396	0.7
80.96515	1.0
83.46904	0.7
87.00888	3.6
95.05031	0.9
96.96018	6.5
99.92616	1.1
102.76410	0.8
103.00408	1.1
105.03464	2.1
109.03036	1.2
115.00387	12.6
121.02955	1.5
133.01421	1.8
133.02959	17.4
134.03749	61.1
135.04597	7.9
137.02455	9.3
139.04008	2.8
150.03235	1.0
159.04602	1.0
162.89441	0.7
176.04831	3.5
177.02008	4.8
178.02744	19.3
183.13901	2.9
186.06857	1.3
187.03993	4.8
187.07610	1.4
188.04840	1.0
190.29903	0.9
197.06287	1.0
202.06390	2.4
202.30896	0.8
211.13409	59.3
212.13777	2.6
214.06403	1.7
229.08650	1.2
257.15494	1.6
265.39697	0.7
283.13409	1.8
299.16473	2.1
301.14325	2.4
309.15009	7.7
317.17581	1.7
327.16016	24.2
328.16452	1.2
345.17078	100.0
346.17358	8.3
389.16125	2.8
392.87643	0.8
451.16714	4.8
493.17474	2.7
537.16760	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	535.1976
Annotation	Gomisin G
Peak:m/z	Relative Intensity
55.75615	1.1
59.01381	2.2
60.69669	1.0
61.98826	3.8
66.28313	1.0
70.14664	3.9
78.41849	1.2
78.95897	2.4
89.03939	1.5
96.96014	1.6
97.85191	1.0
105.03436	1.5
106.04244	1.0
117.03457	3.0
119.05006	1.4
121.02981	2.4
132.02161	3.8
133.02962	10.2
134.03748	61.2
135.04572	14.8
136.01625	1.8
136.07617	1.1
137.02431	5.6
137.91130	1.0
139.04025	2.0
145.34669	1.2
147.04483	2.6
149.06128	5.7
151.04007	1.6
152.99599	2.7
159.87912	0.9
160.01653	13.6
161.02495	7.6
175.04037	8.3
178.02686	4.2
179.03511	14.3
193.05058	29.1
194.05333	1.5
207.06731	1.4
233.11479	1.1
237.99249	1.1
289.17984	1.6
307.18979	1.4
317.80765	1.1
328.07452	1.0
331.19128	2.2
343.42877	1.2
373.13840	3.2
520.17340	4.6
535.19666	100.0
536.20227	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	537.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92830	0.5
59.01387	13.7
61.98824	1.2
69.46885	3.7
71.01399	4.5
73.02953	2.2
75.00876	0.5
78.95906	1.5
79.95748	10.0
80.96529	2.8
81.06225	0.5
83.01344	0.8
85.02945	1.4
87.00869	1.6
91.10830	0.6
95.95238	2.0
96.96017	100.0
99.92546	0.7
101.02454	2.8
103.00376	9.9
106.83616	0.6
109.02914	0.6
113.02476	1.0
115.00415	2.9
116.05072	0.7
133.01450	3.6
134.03732	0.9
135.04536	1.4
138.97095	1.0
150.97073	1.2
152.98619	1.6
162.89293	0.5
164.98679	3.6
164.99951	0.8
178.02672	0.7
179.03508	1.3
180.98116	2.1
227.42372	0.7
241.00288	5.4
256.99591	1.0
332.11411	1.2
345.16901	0.7
371.15024	1.0
389.16013	1.1
397.92798	0.6
433.15219	3.0
451.16446	96.1
452.16824	5.7
493.17532	44.5
494.18005	3.8
519.16162	0.7
537.16473	52.8
538.16772	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	535.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12170	1.0
56.58434	0.9
57.97563	9.4
59.01389	7.0
61.98812	4.6
64.85046	0.9
67.03019	6.7
68.55222	0.9
71.01397	9.5
71.60960	1.6
72.99284	1.4
73.02951	1.9
79.95721	1.3
85.02903	1.1
86.02474	1.4
89.02464	2.3
93.04578	2.0
96.96014	14.0
101.01789	5.8
101.02422	2.0
111.03156	1.1
115.00399	7.3
133.01460	10.8
133.02953	1.9
134.03746	1.5
135.08778	1.0
153.04930	3.4
181.12373	1.2
208.13448	26.9
209.13818	1.3
217.04808	2.5
243.02600	3.3
282.17218	2.5
299.18945	1.9
325.14340	1.2
326.16156	2.1
360.14868	100.0
361.15164	7.9
375.18121	2.4
449.15045	5.6
491.15686	3.2
534.30286	1.7
535.15460	4.0
535.24738	3.1
535.32111	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	534.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33028	0.8
58.02976	5.6
59.01381	2.6
61.98836	4.9
62.96888	0.7
69.88206	4.3
71.01381	1.9
72.00906	0.9
72.39491	0.6
73.16824	0.7
74.02480	12.3
81.04580	1.6
82.02978	1.5
84.35966	0.7
86.02480	4.0
86.06125	1.2
86.99110	1.0
87.05628	2.1
89.02494	1.0
94.10394	0.8
97.04081	1.4
99.05644	11.5
101.07233	2.0
102.05625	1.4
106.03375	0.8
107.06168	1.0
108.34930	0.7
109.04047	0.9
109.07712	1.0
112.04078	0.7
116.01773	0.9
120.01269	0.9
123.05647	1.6
125.03537	1.6
126.01980	0.9
126.73831	0.7
127.05141	2.4
128.03554	34.2
133.01471	1.5
135.05632	3.2
137.07269	0.8
141.06711	2.6
143.04631	43.9
144.04965	1.0
145.06197	2.3
146.04601	4.0
151.07607	0.9
153.06715	3.7
153.09209	2.7
160.00742	11.4
166.09830	2.6
167.04623	2.8
167.08255	1.7
171.07692	0.9
177.03421	3.5
179.04639	8.4
181.06248	1.0
185.05632	1.8
192.07808	1.1
197.05684	1.6
205.12311	1.5
209.11795	1.5
210.08849	7.5
223.13345	1.7
236.06728	0.8
253.09317	0.9
254.07803	11.1
257.38065	0.8
272.08893	19.3
273.09137	1.2
285.04071	0.9
288.06635	8.0
295.42929	0.8
299.18668	1.4
306.07672	100.0
307.07999	4.8
313.10812	1.4
324.57062	0.8
350.52625	0.7
373.13040	1.4
387.63187	0.8
427.19614	1.7
443.24731	0.9
534.21191	5.5
535.32642	1.7
546.72437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23373	0.5
56.50535	0.5
58.02976	5.6
59.01371	1.2
61.98841	0.5
62.45010	0.5
70.03001	0.6
70.34861	1.7
71.01394	1.3
72.00889	0.7
74.02475	10.7
82.02987	1.3
84.04545	0.8
85.02954	0.9
85.04044	0.7
86.02484	4.2
86.06081	0.6
87.05634	1.9
90.00199	0.7
96.04581	0.6
96.75096	0.5
96.96028	0.9
97.04072	1.7
98.20533	0.8
99.05643	8.7
101.07214	2.1
102.05586	1.9
107.06139	0.6
109.04080	1.6
109.07702	0.6
109.77251	0.6
111.05660	0.6
112.04048	1.3
115.00323	0.8
116.01759	0.7
123.05618	0.8
124.04070	0.7
125.03578	1.2
126.02030	0.6
127.05137	1.8
128.03542	29.8
129.99698	0.5
133.01410	1.0
135.05661	2.5
137.07234	0.8
141.06693	2.1
143.04625	39.8
144.05029	0.7
144.83084	0.6
145.06177	2.2
146.04626	2.6
153.06694	3.2
160.00739	11.0
166.09868	1.4
167.04594	2.6
167.08243	1.8
177.03401	4.6
179.04637	8.5
181.06187	1.3
184.10890	1.0
185.05669	1.2
186.79193	0.5
192.07741	0.9
193.05029	0.7
197.05661	1.2
209.03021	0.6
209.11826	1.0
210.03468	0.6
210.08870	8.6
231.04152	0.5
243.06622	0.6
254.07840	10.8
272.08868	18.6
273.09158	1.3
277.24847	0.5
277.28268	0.5
288.06653	8.2
306.07654	100.0
307.07901	4.3
312.87302	0.6
534.21558	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	533.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.6
58.00581	2.0
59.01101	2.9
59.01381	41.2
59.03252	1.5
61.98828	6.4
70.12121	5.7
71.01389	17.4
72.99315	1.7
73.02957	2.8
74.02473	1.3
75.00877	2.2
81.03458	2.4
83.01389	5.4
83.04258	1.3
83.05035	27.1
84.02158	2.4
85.02962	26.0
86.03281	3.5
87.00880	1.6
89.02444	11.7
95.05026	2.0
96.16818	1.7
96.96021	7.4
97.06582	3.1
99.08149	2.0
101.02448	12.7
109.06603	8.3
110.03689	1.5
111.00856	2.5
113.02449	5.6
115.00349	5.5
119.03530	3.2
121.02831	1.3
127.07609	2.3
128.03517	5.1
129.01968	2.6
133.01436	5.8
134.03741	2.7
135.04527	1.8
135.08116	9.2
137.09734	3.4
143.04593	6.0
143.07100	2.5
145.02869	1.9
147.02989	3.0
157.08719	3.8
161.04497	5.9
163.07640	2.9
169.08643	2.5
173.00963	1.5
173.06038	1.6
181.08722	100.0
181.12207	2.9
182.09044	3.6
191.01973	8.2
192.02272	1.6
193.05058	2.2
199.09776	9.6
207.08154	2.2
209.03047	8.3
209.06006	1.4
210.03377	2.4
210.08961	3.9
217.15952	4.4
235.07913	1.9
235.17056	2.8
243.02454	1.3
251.07159	6.8
253.09286	37.3
254.07645	2.1
255.02957	2.1
261.14902	5.6
262.06314	2.8
263.07065	4.6
264.07846	2.6
272.08832	4.6
279.06711	11.3
279.16013	52.1
280.16281	2.8
285.03894	1.4
293.08337	2.0
294.09018	2.1
295.06104	4.4
297.17075	24.7
306.07672	2.0
307.05911	2.9
317.99988	1.4
322.08484	3.0
323.05563	8.4
337.07104	1.8
338.07953	11.7
353.10327	47.7
354.10474	3.8
366.26672	1.5
371.11224	2.0
446.17944	2.8
459.27658	1.4
501.12546	1.9
515.25043	12.3
533.16370	2.3
533.24030	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	533.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00235	1.2
54.91450	1.1
57.03448	3.3
59.01382	40.9
61.98824	4.7
69.42506	8.3
69.42916	2.8
71.01385	16.2
73.02948	3.2
75.00904	2.3
80.02720	1.2
81.00255	1.2
81.03470	2.4
83.01395	3.6
83.05029	29.6
84.02173	1.8
85.02953	29.9
86.03285	5.4
87.00881	2.5
89.02438	12.8
93.23097	1.3
93.99356	1.2
95.05009	1.8
96.96002	5.0
97.06590	4.4
99.00828	1.4
99.08148	1.4
101.02448	13.1
109.06632	6.6
111.00873	2.4
113.02463	5.7
115.00366	4.5
119.03497	2.3
119.25204	1.3
120.05377	1.2
121.02965	1.4
121.06644	1.6
127.07639	1.9
128.03534	3.9
129.01961	2.3
133.01414	4.4
134.03677	2.3
135.04552	1.5
135.08191	7.3
136.01729	1.8
137.09685	3.5
139.07672	1.4
143.03540	2.8
143.04593	2.0
143.07133	3.8
145.60928	1.2
147.03004	4.7
151.04034	1.5
157.08667	4.2
160.11382	1.3
161.04535	4.8
163.07645	3.5
163.73209	1.1
169.08690	3.6
179.05679	2.2
181.08708	100.0
181.12260	4.4
182.09019	4.2
191.01961	11.0
192.02303	3.8
193.05066	3.5
199.09790	7.5
209.03047	5.1
210.08926	3.9
217.15968	5.3
235.17007	3.6
251.07115	5.6
253.09296	42.7
261.14948	6.0
261.83023	1.2
263.07053	1.6
267.06552	1.5
272.08917	2.5
279.06708	6.0
279.16028	57.7
280.16385	3.7
285.03961	3.8
294.08740	1.5
295.06296	2.5
297.17084	24.1
322.08548	2.5
323.05624	6.3
338.08029	5.8
353.10324	28.7
354.10516	3.8
371.11478	1.3
417.15695	1.7
446.17773	2.8
489.23541	1.5
515.24884	10.2
533.16412	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03797	0.4
61.98839	1.0
65.44962	0.4
67.84649	0.4
71.01371	0.5
73.38456	0.4
77.13395	0.4
78.95907	6.9
83.43075	0.4
93.03463	18.1
94.03786	4.6
122.00018	0.5
137.02449	24.3
138.02785	7.5
140.01189	2.4
152.99626	1.0
196.03792	1.1
196.89525	0.7
214.04820	2.7
249.18507	0.6
250.18837	0.4
255.23195	2.2
335.25912	100.0
336.26263	7.6
480.30957	1.5
532.06293	0.5
532.22742	0.5
532.30481	8.8
533.30554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1667
Annotation	Amurensin
Peak:m/z	Relative Intensity
59.01372	5.6
61.98846	2.2
71.01385	5.6
71.59332	2.9
73.02914	2.1
76.36103	1.6
81.91949	1.8
85.02945	2.7
96.96009	2.9
108.02137	2.5
115.00370	3.3
119.05014	2.3
121.02937	8.6
133.01466	4.6
134.03717	1.8
135.04599	3.9
140.74634	1.8
145.02924	2.7
147.04552	3.9
148.05299	3.5
157.66191	1.7
161.02354	2.5
173.71091	1.7
176.04752	3.7
179.03522	1.9
191.03589	8.3
191.07188	10.0
193.05075	2.2
206.05797	2.0
220.03712	2.7
221.06166	2.2
223.07631	4.5
224.03186	1.9
226.06267	3.9
227.03606	2.2
235.05881	2.4
237.05609	2.7
238.04655	3.5
239.07184	4.9
241.08701	3.8
249.05579	5.1
250.06261	3.3
251.07118	15.0
252.07797	3.3
253.00961	2.0
253.08780	4.4
255.02914	5.3
262.06451	2.0
263.07147	8.4
264.07990	4.5
265.05112	4.1
266.05859	10.1
267.06604	29.7
277.05103	2.5
278.05939	1.7
279.06628	24.3
280.07092	2.6
281.08160	10.4
282.08951	18.6
284.03217	2.5
285.04065	17.4
286.04361	6.1
287.04541	2.1
294.05334	18.9
294.08981	7.1
295.06088	7.0
297.11292	6.2
307.06238	3.8
308.06921	2.9
309.07706	22.6
310.08414	5.7
321.07739	3.0
322.08444	4.7
323.05731	18.0
323.09296	3.4
325.07098	5.3
326.07996	12.3
327.08536	3.0
327.12378	3.3
337.07214	3.5
338.07965	31.6
339.08240	2.6
340.09534	3.6
341.10309	79.0
342.10629	6.5
353.10309	100.0
354.10590	8.6
371.11365	80.5
371.16101	3.9
372.11633	7.9
503.15643	2.7
533.16705	21.0
534.17072	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41593	0.4
55.01872	2.4
57.03184	0.9
57.03451	13.1
59.01381	12.1
61.98843	1.9
68.99818	0.7
69.28920	3.0
69.29346	2.3
71.01387	5.5
72.99323	1.3
73.02956	1.4
75.00872	1.5
83.01392	4.9
84.02169	2.3
85.02957	100.0
86.03316	0.8
87.00880	1.5
88.03950	0.5
89.02454	1.6
93.03495	0.6
96.96033	1.5
99.00874	0.9
101.02443	2.3
103.00394	1.2
111.00900	7.5
115.00368	1.4
117.03425	3.1
119.03544	0.7
119.05039	6.9
121.02929	2.5
128.03575	1.0
129.01949	15.7
133.01468	0.9
133.02956	2.8
134.03741	7.9
135.04529	1.5
136.01669	1.1
143.04614	1.0
145.02956	7.3
147.03011	17.9
149.06088	1.8
151.04004	1.6
159.04347	0.6
160.01706	2.2
161.02449	6.7
161.04639	1.0
163.04036	7.4
173.00914	5.0
175.03975	2.8
178.02736	1.3
179.03479	1.1
191.01984	39.7
193.05074	7.9
197.17757	0.5
204.29939	0.5
209.03027	10.5
209.11713	0.6
227.03429	0.8
231.06671	0.8
255.03113	1.4
261.07709	1.3
283.02591	0.8
284.03238	0.9
285.04065	15.9
286.04388	1.5
293.06686	0.8
327.12357	1.2
337.05597	1.1
337.67841	0.6
355.06711	2.9
367.06760	1.3
385.07794	5.3
458.11191	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82640	0.6
55.01867	1.7
57.03450	12.1
59.01385	8.2
61.98822	2.2
62.14065	0.7
68.99836	0.7
71.01392	6.0
71.59927	0.8
72.99297	2.0
73.02952	1.4
74.02486	1.1
75.00867	1.8
79.95720	0.6
80.42395	0.7
83.01396	3.8
84.02164	2.8
85.02955	100.0
86.03279	1.8
87.00883	1.2
88.54089	0.8
89.02468	1.2
96.95995	3.2
99.00916	0.9
101.02434	1.7
103.00372	1.1
111.00879	7.1
114.33038	0.7
115.00372	2.5
117.03450	1.5
119.05032	5.7
123.04498	0.8
128.03563	2.2
129.01955	15.5
133.01422	2.5
133.02988	0.9
134.03754	7.2
135.04410	0.8
143.04626	1.6
145.02943	4.7
146.03262	0.7
147.03004	17.4
149.06071	1.6
158.97859	0.6
160.01648	1.8
161.02443	1.7
163.03999	6.9
173.00940	5.7
174.03249	0.9
175.04036	2.7
189.05551	1.1
191.01982	46.0
192.02414	0.7
193.05063	7.0
195.07866	0.7
203.07227	0.8
209.03040	14.2
210.12378	0.8
213.95457	0.7
255.03149	0.7
283.02612	1.2
285.04016	3.8
311.09286	1.6
337.05881	1.2
338.18546	0.7
341.19818	0.8
355.06808	3.2
367.06662	1.4
385.07742	6.7
411.18823	0.8
458.60709	0.7
505.71027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.76622	0.2
57.03454	1.1
59.01382	100.0
59.81099	0.3
60.01715	0.7
61.98834	2.4
68.65182	0.3
69.03445	0.3
69.32062	1.4
69.32487	1.2
69.62547	0.3
71.01389	10.3
73.02958	1.8
83.01395	0.8
85.02954	5.2
87.04523	1.3
89.02452	1.8
95.01411	1.1
96.96030	1.5
97.02921	0.3
99.00874	1.5
101.02447	4.2
107.19384	0.3
113.02460	7.2
115.00332	0.3
116.92877	0.5
119.03498	0.4
125.02473	0.6
129.01973	0.4
143.03523	1.1
155.60141	0.3
159.03020	0.8
161.04572	4.3
161.05849	0.3
192.49173	0.3
225.11407	0.3
235.21117	0.3
258.67252	0.3
314.03806	0.3
323.26025	0.7
441.18015	0.4
467.30182	10.0
468.30573	1.0
485.31265	6.7
485.37988	0.5
486.31833	0.8
527.30792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18618	0.8
58.00600	0.8
59.01383	100.0
60.01737	0.9
61.98835	5.2
71.01385	13.1
71.60989	0.9
73.02952	3.6
79.95744	1.4
82.02846	0.7
83.01418	0.8
85.02959	4.5
87.00874	0.9
89.02459	7.5
93.77048	0.6
95.01407	0.8
95.95238	10.2
96.96015	8.4
98.76925	0.8
99.00901	1.1
101.02445	6.7
113.02467	7.0
115.00386	1.0
119.03517	2.3
150.53329	0.8
161.04608	3.2
175.02496	2.0
179.05682	1.2
183.13979	0.9
469.31494	6.3
487.33102	5.1
530.09198	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	530.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
61.98831	3.3
70.62054	0.7
70.62401	0.6
71.01386	2.7
72.99328	0.9
75.00887	2.1
78.95911	19.1
82.67785	0.4
85.02952	3.0
86.03297	0.5
87.00879	1.3
88.98807	1.1
89.02451	1.3
90.57132	0.4
95.01399	0.5
99.00893	1.2
103.00369	0.4
113.02451	3.3
114.02798	1.0
152.99606	2.6
156.74428	0.4
168.04344	2.7
205.07188	0.4
216.46344	0.4
224.06931	8.9
224.08968	0.4
237.22044	0.4
240.86084	0.4
242.07924	2.3
249.06145	0.7
255.23299	100.0
256.23654	6.3
267.07294	1.0
277.21722	2.3
279.23276	4.0
280.23657	5.3
296.35818	0.5
305.24731	0.6
318.50082	0.4
445.23669	0.9
469.82312	0.4
480.30960	62.7
481.31427	4.7
530.22479	0.5
530.30548	12.8
531.30969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99963	1.7
52.99443	1.7
57.03436	2.3
59.01382	13.4
64.96362	1.9
66.20757	1.6
69.69191	5.3
69.69606	4.3
71.01389	17.0
72.99298	6.5
73.02934	2.0
75.00883	18.5
85.02961	21.2
87.00881	5.9
89.02457	2.9
95.01380	3.2
99.00873	10.6
103.00394	3.1
113.02452	26.1
115.00322	1.8
117.01939	2.9
130.18187	1.9
142.55618	2.0
175.02420	3.8
231.05176	2.5
249.06166	27.3
267.07193	6.3
277.21732	78.0
278.22073	6.2
343.00443	1.9
358.09686	1.9
483.52170	2.3
509.27701	3.1
527.28625	100.0
528.28900	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	527.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18182	1.7
57.03449	3.2
59.01383	13.5
70.62893	6.0
71.01389	17.8
72.99318	6.0
75.00880	17.1
78.95937	2.5
80.96529	9.2
85.02968	21.3
87.00900	8.0
89.02438	5.1
94.98119	4.0
95.01408	7.8
98.20528	2.4
98.60751	1.8
99.00874	10.1
103.00394	2.3
103.81264	1.8
113.02460	35.8
113.18697	1.9
117.02016	3.8
128.88718	1.9
129.01994	1.9
152.99605	2.0
175.02565	2.3
192.40947	2.0
203.41216	2.0
205.07202	2.7
225.00688	3.1
234.27527	1.7
249.06241	7.1
267.07181	10.2
277.21732	66.4
277.24731	3.4
278.22147	3.1
378.91110	2.0
386.96786	1.9
509.27780	2.6
527.28821	100.0
528.29291	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	526.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97551	0.9
59.01383	32.0
61.98835	100.0
63.96218	1.0
66.10146	0.8
67.06483	0.8
67.70271	0.7
70.17864	3.4
71.01392	2.0
72.99314	1.1
75.06229	0.7
87.04525	24.0
88.04844	0.9
96.96014	5.5
101.02425	2.0
111.81202	0.7
118.94199	1.0
142.41859	0.8
150.59705	1.0
153.96742	0.8
179.31224	0.8
297.71289	0.7
306.98322	1.7
341.22885	0.8
364.01434	0.8
408.40057	0.9
410.08884	0.8
441.17981	1.4
497.30164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51870	0.7
58.02963	2.3
61.98821	1.8
62.33307	0.7
62.63474	0.7
69.80813	4.2
70.02982	12.2
71.01385	1.0
73.04066	1.7
74.68150	0.8
75.00452	1.4
75.00877	28.8
80.96527	4.6
87.05657	4.8
94.98098	1.0
95.02529	1.4
96.00919	5.7
96.96031	2.5
98.19958	1.5
108.32259	0.9
110.02486	2.8
110.03625	1.4
112.04055	1.1
113.03577	8.6
114.01978	22.5
116.83112	0.9
118.74441	0.8
126.06722	3.7
129.06714	7.9
129.10356	10.2
131.04639	16.5
139.08774	1.2
144.07800	12.4
151.08795	1.1
155.08279	2.2
156.68828	0.9
168.07748	4.7
169.09845	1.2
178.11078	2.1
186.08878	13.4
196.14511	1.1
197.16647	1.1
207.15053	11.1
224.17665	7.4
225.16080	0.9
242.18753	18.5
268.16690	1.9
281.19803	7.1
299.20917	6.5
352.23312	1.5
370.24551	3.4
407.55450	0.9
412.25677	33.4
413.25958	2.2
441.14227	1.1
464.09213	1.7
483.29736	1.1
509.27274	4.3
527.18530	6.4
527.28369	100.0
528.20728	1.2
528.28680	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10840	15.1
59.01382	27.1
61.98835	57.4
71.09081	43.5
95.88664	16.6
96.96021	100.0
97.90338	19.2
115.00448	15.7
251.20291	22.4
288.72543	15.4
301.21606	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31696	60.2
61.98855	100.0
64.36205	68.1
71.60269	84.4
78.25134	62.3
93.65697	61.4
94.59711	60.5
109.72890	73.5
122.71135	60.9
129.59451	63.4
178.73657	58.2
325.78699	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97561	3.5
59.01384	46.6
61.98833	100.0
63.96237	1.9
71.01382	7.4
71.60555	1.9
73.02947	1.3
79.95729	1.5
85.02958	1.2
87.04514	17.3
88.64890	1.1
88.98811	1.1
96.96003	6.5
100.71710	1.1
101.02435	2.7
113.02463	2.9
133.02974	2.8
164.48718	1.0
211.13406	1.1
233.11565	1.5
306.98264	3.0
323.23810	1.2
367.15231	3.3
377.21823	2.5
411.14178	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26378	0.7
58.38070	0.6
59.01385	17.0
61.98835	100.0
65.79925	0.6
70.81134	1.3
70.81454	0.9
71.01389	2.1
79.95728	0.6
87.04520	30.4
95.59175	0.6
96.96030	1.0
99.00926	0.7
101.02464	0.9
105.78812	0.5
108.30015	0.6
110.54209	0.6
113.02448	0.8
118.42155	0.6
157.96918	0.6
203.23625	0.6
281.14081	1.3
313.79547	0.6
340.61185	0.6
446.39548	0.7
500.65308	0.6
526.27765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2189
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.11109	0.5
59.01378	0.9
69.55850	2.7
71.01388	1.4
73.02956	0.5
85.02957	0.8
89.84975	0.4
93.03493	0.8
94.01344	0.4
96.96036	0.8
101.02459	0.6
109.02962	3.5
113.02438	0.5
114.89568	0.4
121.02962	12.7
122.03753	11.5
123.04503	1.8
124.01673	0.8
129.03481	1.0
133.01465	0.6
133.03003	0.5
134.03789	0.6
135.04533	2.0
136.05298	1.3
137.02469	1.5
147.04536	6.1
148.05292	0.6
149.06058	0.6
154.02708	1.7
161.02464	1.6
161.06082	2.0
163.03960	0.6
165.05577	24.3
166.05920	0.9
177.05602	0.9
178.06323	0.7
179.07141	7.7
191.07095	0.6
209.08221	1.1
223.09700	1.4
255.03085	0.8
283.02368	0.5
284.03503	0.5
285.04099	2.3
298.12292	0.7
313.14609	0.9
315.12421	3.1
346.14197	8.6
350.77844	0.5
361.16583	100.0
362.16971	8.3
392.15384	0.5
428.77505	0.6
456.60229	0.5
457.60709	0.6
458.11365	0.6
515.66986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1773
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
57.26085	1.6
69.90154	9.0
78.95912	65.8
78.96375	3.7
98.20560	2.1
99.92576	15.8
107.91502	1.8
110.98544	10.4
115.92082	28.7
116.92078	2.9
116.92858	15.9
150.98010	2.4
178.88403	7.7
179.89217	31.3
180.90086	11.1
193.90762	39.9
194.91611	23.6
196.89491	51.7
248.92673	4.6
249.93239	3.1
255.23376	6.8
266.93567	3.6
378.79266	1.7
411.18420	6.8
419.24689	1.7
475.15894	2.2
523.17712	100.0
524.17963	15.8
537.37909	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01236	1.3
59.01384	14.2
59.21865	1.6
61.98824	3.2
70.47829	1.3
71.01356	2.4
71.60737	2.1
78.95917	7.4
79.95747	18.0
80.96516	2.6
85.02901	2.0
95.95232	7.0
96.96019	99.3
103.00401	10.1
146.90976	1.6
152.98538	2.6
152.99602	5.8
159.22400	1.4
164.98700	3.5
195.13922	3.3
241.00182	6.8
256.99777	11.0
277.21646	2.9
295.22784	13.4
437.18521	100.0
438.18820	10.6
479.19583	38.3
480.19760	2.2
490.65958	1.6
505.17566	2.0
523.18457	26.0
523.26843	15.6
524.18683	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	523.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.9
71.01377	12.0
71.11766	3.0
76.64733	0.9
79.38629	1.0
79.95737	1.2
87.00901	1.5
93.03479	1.5
95.95235	1.3
96.96001	4.1
103.00374	1.2
106.64687	1.1
115.00371	12.0
121.02975	5.5
122.03713	2.5
123.04510	4.6
133.01459	8.5
134.02840	0.9
134.03749	21.0
135.04533	1.5
136.01662	60.2
137.01988	1.9
146.08179	1.4
149.02455	10.7
149.06079	16.9
150.03224	32.8
151.04010	90.5
152.04332	3.3
164.04803	2.7
165.05565	36.4
180.04297	2.6
181.05070	11.6
193.05049	5.1
195.06621	12.7
211.06084	2.9
223.03998	1.3
236.04803	2.1
237.05522	1.8
241.05019	1.8
252.04204	5.1
253.04929	1.3
255.06610	2.7
267.06595	3.3
277.12344	1.5
284.06921	6.5
299.09186	17.4
341.10309	4.3
359.11304	13.0
389.12491	2.8
407.13470	100.0
408.13852	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	522.2711
Annotation	Neoverataline B
Peak:m/z	Relative Intensity
53.50952	0.8
57.03448	1.7
59.01387	5.1
60.99313	2.8
61.98825	2.5
65.72795	0.9
71.01392	2.2
71.16290	1.8
80.05037	1.0
88.98808	16.4
94.06655	1.5
96.96008	1.6
97.06572	4.3
100.32445	1.2
106.06651	2.0
109.06646	1.1
111.70541	0.9
115.00380	1.8
116.05060	1.2
123.08173	1.8
125.09731	16.5
163.30301	1.0
176.14488	1.7
198.12868	1.0
201.11609	1.0
202.12262	1.6
214.12355	1.1
216.13940	34.4
217.14197	1.4
220.13461	3.2
234.14806	1.7
259.72659	0.9
260.12863	4.2
310.13721	0.9
324.23355	2.1
342.24405	18.3
343.24780	1.8
350.21295	2.1
360.25302	2.4
368.22324	6.9
386.23349	21.7
387.23740	2.2
400.80612	0.9
404.24469	30.8
405.24872	2.2
430.22110	1.8
448.23456	2.3
478.27902	4.8
504.26050	2.7
522.27087	100.0
523.27405	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	523.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71621	0.5
59.01383	0.6
60.99309	15.4
67.97556	0.5
70.35084	1.7
74.37885	0.5
79.02582	0.5
87.00893	0.5
88.98812	100.0
89.02450	1.2
115.00378	3.6
133.01399	0.5
133.03065	0.5
134.03761	1.1
137.02489	0.6
142.06639	0.7
153.23489	0.5
156.00642	0.6
175.02501	0.8
178.02827	0.9
195.47908	0.5
217.45158	0.5
242.08223	0.7
244.05966	0.6
272.16241	0.5
285.88544	0.5
311.06488	0.5
344.48291	0.5
345.17023	1.1
389.16119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3623
Annotation	ubiquinone 25
Peak:m/z	Relative Intensity
57.86951	0.9
59.01388	6.4
62.57332	0.8
71.01376	0.8
71.60917	1.2
78.91885	1.0
78.95898	1.0
83.01383	1.9
152.99602	1.0
199.39633	1.0
231.17461	1.5
249.18596	100.0
250.18939	4.5
355.87366	1.0
403.52161	1.0
426.14523	0.8
502.94324	0.9
521.28534	1.8
521.36206	36.4
522.36725	4.9
531.06873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06920	2.3
71.01382	2.8
77.15884	2.1
78.95910	3.7
105.03466	9.0
132.02135	4.3
133.02971	35.6
134.03729	11.4
135.04466	2.5
137.02443	5.6
148.05235	3.1
151.18866	2.9
152.99600	2.4
160.01625	20.1
161.02467	16.4
161.06120	4.2
163.04590	2.6
164.25168	2.7
171.10251	3.9
175.02533	3.7
175.04021	57.8
176.04320	3.0
193.04964	5.0
204.11604	2.5
223.24565	2.2
249.18549	3.3
265.45535	2.4
271.22797	8.6
275.12894	3.3
345.20895	4.1
371.97766	2.5
387.25330	3.1
415.24829	8.9
429.26398	27.1
430.27176	2.5
433.25864	2.7
447.27603	37.5
448.27707	4.7
521.31207	100.0
522.31366	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	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
58.26334	0.6
59.01381	46.6
59.56118	0.6
61.98830	2.4
70.76246	1.3
71.01387	12.4
72.99342	0.9
73.02950	3.6
75.00822	0.6
75.84064	0.6
78.74956	0.6
79.95734	1.1
82.19604	0.6
83.01387	1.7
84.15699	0.6
85.02952	5.6
89.02437	2.0
96.96016	9.2
99.00869	0.8
101.02451	9.0
111.00877	1.2
111.04501	0.7
113.02454	5.2
115.00364	1.6
116.05081	1.4
127.11303	1.1
129.01932	1.0
131.48502	0.6
133.01413	1.2
139.65118	0.7
159.03030	1.1
161.04541	2.5
193.06671	0.8
221.18855	0.6
241.00259	1.1
299.26065	1.7
384.24704	0.8
435.07574	1.4
461.31097	5.9
477.08679	0.8
479.19540	2.3
492.71869	0.7
503.33084	0.8
521.33282	100.0
522.33698	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	521.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36539	1.3
53.90368	1.4
57.03467	1.3
58.02990	1.3
59.01383	23.4
61.98833	16.5
65.53296	1.4
71.01382	13.0
71.05029	1.4
71.20225	1.6
71.20580	2.5
72.99324	2.7
73.02962	2.5
74.02448	1.3
79.95753	1.9
83.01408	2.0
85.02945	3.4
87.00893	2.9
88.98774	1.4
89.02448	4.9
89.55328	1.2
92.61197	1.3
93.03495	1.4
96.96013	13.8
97.02959	6.1
99.00874	7.4
101.02483	7.1
103.00390	1.6
106.06614	7.5
108.02118	1.8
113.02470	4.8
115.00367	6.1
118.55710	1.2
119.03489	2.7
120.08192	3.1
128.03592	2.5
133.01466	6.8
135.04539	5.8
142.02684	1.4
143.04663	1.5
161.04446	1.8
163.11319	4.4
164.03218	1.3
179.03511	3.8
181.12343	17.8
207.10263	35.6
208.10568	1.6
225.11317	100.0
226.11729	6.6
226.13673	1.4
243.12445	10.1
253.09250	7.5
253.13452	2.3
284.03030	2.1
285.03796	1.7
297.12430	2.9
299.05600	3.4
317.31262	1.4
329.14264	1.8
341.11475	5.7
359.12469	4.1
361.16946	1.4
383.53384	1.4
397.11700	2.0
435.13907	8.6
461.20328	58.7
462.20551	4.4
477.09830	2.3
521.21521	2.6
521.32684	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	521.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25299	1.1
53.72519	1.2
54.99897	0.9
59.01382	2.1
59.22202	1.3
69.46317	1.0
70.94110	2.0
70.94456	1.5
78.95905	2.3
91.04051	1.2
95.05029	1.5
105.03447	10.4
121.02891	1.4
125.31003	1.2
132.02162	3.9
133.02962	35.1
134.03773	9.2
135.04498	3.9
137.02443	2.9
139.03987	1.6
147.04561	1.6
148.05298	3.5
148.65536	1.1
149.02393	1.3
149.77850	1.2
152.99606	1.2
160.01660	24.4
161.02454	19.8
161.06061	3.8
163.40262	1.0
163.52960	1.1
175.04012	60.0
176.04282	1.7
177.01933	1.3
178.02689	3.4
179.03487	2.2
193.05086	5.2
229.86771	1.2
233.08112	1.6
261.11392	1.5
271.22864	8.0
289.14474	1.1
303.16006	1.9
317.17603	1.8
327.19507	1.7
331.19217	2.2
345.20734	5.1
359.22308	1.5
361.27423	3.2
415.25012	8.3
422.92694	1.5
429.26508	22.9
430.26547	2.4
433.26114	2.5
447.27518	39.7
448.27728	4.2
506.28870	3.1
521.31195	100.0
522.31311	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	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26025	0.4
54.36339	0.4
54.55601	0.4
54.98052	0.4
59.01378	0.7
69.32507	0.4
69.89529	0.9
69.89941	1.6
71.01379	2.5
73.02950	0.6
85.02960	1.3
85.72624	0.4
87.00887	0.6
88.98770	0.8
96.96022	0.6
101.02461	1.0
113.02442	0.9
115.00381	1.0
119.78173	0.4
121.02972	2.6
122.03718	1.2
122.89436	0.4
123.00908	1.2
128.37323	0.4
133.01440	0.5
134.03729	0.6
136.01637	0.6
136.05365	0.7
137.02437	0.7
137.06111	0.7
138.74103	0.4
142.15938	0.4
143.05061	0.7
143.76715	0.5
146.03728	0.4
147.04517	1.5
149.02458	1.7
149.06067	0.5
150.03236	5.6
158.03702	2.8
159.04541	6.6
160.05302	25.9
161.04570	1.2
161.06058	7.0
162.03278	0.4
163.04025	5.3
164.04816	4.9
173.06090	3.7
175.07640	24.0
176.04759	0.7
176.07947	1.3
177.05582	7.0
178.06371	6.9
179.03348	0.6
192.07916	1.1
193.05138	0.4
193.08752	2.4
193.50641	0.5
196.26793	0.4
243.12427	1.3
277.71390	0.4
314.11539	0.6
329.13937	100.0
330.14307	7.9
355.12903	0.4
359.15085	3.4
405.17792	0.5
454.67041	0.4
492.34778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98705	1.7
56.78629	1.9
58.44078	1.6
60.99294	4.8
61.99734	1.9
71.16307	4.2
76.53309	2.2
78.95908	46.8
78.96370	2.7
88.98811	40.1
96.96965	5.6
115.58903	2.0
152.99602	100.0
156.93724	1.8
171.00623	3.2
198.85605	2.1
247.58176	1.7
267.18372	1.9
288.02145	1.9
292.08264	2.0
292.60861	1.7
415.46042	2.3
431.22018	29.2
460.55746	2.1
468.34943	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83910	0.4
71.01369	2.3
71.59171	0.6
73.02959	0.9
73.53858	0.5
85.02969	1.1
92.58748	0.5
98.52079	0.5
101.02464	1.0
113.02448	0.6
115.00340	0.7
121.02967	3.5
122.03756	1.1
123.00845	0.7
123.04519	0.5
124.01686	0.5
134.03601	0.5
135.04526	0.5
136.05301	1.4
137.02426	0.7
137.06032	0.6
138.03250	0.4
139.29199	0.5
143.05058	1.1
147.04556	2.2
149.02419	1.7
149.06070	0.6
150.03244	4.5
153.05618	0.5
158.03714	2.5
159.03188	0.8
159.04518	8.3
160.05301	27.7
161.04652	0.8
161.06059	7.5
163.04042	5.0
164.04802	4.7
165.37477	0.5
173.06084	3.1
175.07652	24.5
176.07996	1.0
177.05589	6.4
178.06339	7.0
179.03461	0.5
192.07866	1.4
193.05063	0.5
193.08775	3.1
237.96339	0.4
293.57367	0.4
314.11456	0.6
317.13385	0.5
329.13940	100.0
330.14301	7.6
343.55191	0.5
359.15051	2.9
423.55542	0.5
481.72620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92721	1.4
55.01881	2.7
57.03443	2.2
58.00596	2.9
59.01384	100.0
61.98835	5.6
63.54433	1.3
71.01387	76.8
72.99315	8.4
73.02937	3.0
74.02490	1.9
83.01376	3.5
85.02954	13.9
87.00887	4.9
89.02448	86.2
95.01403	5.2
96.00925	1.7
96.96015	7.5
99.00922	1.6
101.02454	44.5
108.02209	1.6
109.02923	3.3
113.02464	33.2
113.96835	1.4
115.00378	11.8
119.03510	43.6
119.04930	1.6
121.02961	2.8
122.03719	2.1
128.03539	2.9
130.08759	3.2
131.03522	5.8
133.01448	16.8
134.03709	1.5
135.04536	4.3
143.03551	7.3
143.04536	1.3
145.06192	1.6
147.04509	1.6
148.10014	1.4
149.04619	2.9
159.04517	5.5
160.05252	7.6
161.02412	1.7
161.04579	8.0
161.05984	2.8
165.55772	1.6
172.05336	5.7
173.06076	5.8
175.07617	2.7
179.05598	16.6
187.07652	2.8
189.05588	9.6
190.06467	7.7
193.05098	1.9
205.08687	6.7
231.91649	1.4
280.07245	1.8
281.08240	3.8
285.03851	1.9
296.10446	4.3
311.12888	5.0
325.14447	4.5
329.13962	5.1
341.13947	32.6
342.14191	1.7
343.15509	4.5
373.14270	1.7
387.14465	10.2
405.11963	2.0
486.22339	3.6
521.20532	5.9
521.27026	2.3
521.33179	2.6
522.20691	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	520.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
61.98838	100.0
70.15235	4.1
70.15639	2.7
71.01399	3.4
71.86362	1.6
78.95902	2.5
88.84814	1.7
96.96013	2.9
111.66108	1.8
116.05064	2.4
152.99574	4.7
161.02454	2.1
178.02744	3.1
189.91373	2.3
257.60828	1.8
263.09650	2.1
269.83951	1.7
282.31299	1.8
292.20105	2.3
293.21082	4.1
307.08710	3.5
334.24643	3.6
381.64288	2.0
520.28125	2.0
521.25653	6.7
527.99066	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.3
61.98821	4.5
69.47746	5.3
69.48176	7.5
71.01389	15.7
72.99311	3.0
73.02960	2.8
77.11195	1.5
78.95924	1.6
83.01398	3.3
85.02950	5.0
87.00856	2.4
89.00648	2.2
89.02454	3.3
92.40686	1.7
96.95968	4.2
98.19908	3.1
99.00877	3.2
101.02452	8.9
111.00887	2.8
113.02438	4.3
115.00394	5.0
116.05065	69.5
117.05421	3.5
127.04906	1.6
129.01947	3.9
133.01437	6.8
135.04523	1.7
141.01976	2.2
142.06609	6.8
156.04565	1.9
158.06091	3.8
159.03021	3.7
170.06094	14.2
198.05560	4.5
222.05565	2.0
231.10257	2.0
243.09204	9.3
245.10815	21.8
246.11122	1.8
255.09331	5.5
256.09894	2.4
257.10849	17.3
275.09067	4.0
297.10400	3.2
317.12952	24.4
318.13193	2.3
329.92065	1.9
333.12332	8.8
339.11438	11.4
341.26749	2.2
343.14697	3.6
359.28055	16.7
361.15988	2.2
373.15717	1.7
399.13477	2.6
417.14581	12.2
418.15280	2.6
435.15836	9.2
521.33301	100.0
522.33588	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89598	1.7
56.02043	1.8
57.03445	4.0
58.00585	1.4
59.01382	48.0
61.98829	1.7
65.69848	1.5
68.99820	4.5
69.03452	5.7
70.08839	2.6
70.09241	5.2
71.01383	17.9
72.25790	1.5
73.02931	3.2
75.06925	1.6
80.99878	1.5
83.01383	10.8
85.02956	12.1
87.00906	3.7
89.02434	1.5
96.96012	16.9
97.02959	4.3
99.00898	7.6
99.04533	1.9
101.02444	5.6
111.00886	11.7
113.02463	5.5
115.00405	2.3
116.05067	57.5
117.05390	2.0
127.04026	2.2
128.05084	2.1
129.01949	20.7
130.06624	3.3
141.01956	17.2
142.06647	3.0
148.20468	1.7
158.06090	13.2
159.03004	16.5
160.03290	1.6
170.06129	4.7
172.07663	5.7
175.53285	1.4
177.04105	4.1
186.05608	4.3
188.07169	38.8
189.07565	3.4
190.32314	1.9
196.07715	2.1
204.06703	7.1
210.05699	1.9
214.08720	3.3
216.06615	2.2
226.08865	1.7
230.08194	8.1
241.00243	3.2
253.21408	1.4
260.09412	7.4
264.10336	3.6
270.07700	6.0
285.40494	1.8
288.08798	100.0
289.09161	5.5
299.40814	1.6
306.09827	25.5
307.10141	1.9
335.93384	1.6
348.10889	48.3
349.11105	3.4
355.47147	1.4
427.43909	1.8
435.07565	4.7
477.08698	3.5
479.19492	3.4
521.07629	2.1
521.20947	4.4
521.33130	3.1
522.26886	3.8
524.62836	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	520.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
63.39135	0.2
68.84420	0.3
70.17447	1.1
70.46127	0.2
78.95907	45.7
86.72863	0.3
96.96964	5.9
102.08683	0.3
115.86415	0.3
144.66641	0.3
148.00342	0.3
150.68852	0.3
150.98021	1.7
152.99594	100.0
153.99910	1.2
171.00638	4.1
279.23309	0.9
320.63480	0.3
326.53781	0.3
433.23596	23.4
434.23883	2.0
492.80011	0.3
520.26849	4.6
521.26788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94727	1.2
59.01379	2.2
59.11718	1.1
61.98833	100.0
71.01393	3.3
71.56239	2.2
78.95919	2.3
79.29093	1.3
95.58488	1.2
96.95989	1.7
99.92638	1.3
141.46700	1.3
152.99591	2.3
177.01971	1.4
178.02647	1.6
196.55997	1.5
218.69728	1.2
220.00504	1.3
234.07692	2.4
262.08719	4.6
263.09506	1.9
293.20969	1.5
303.55560	1.3
306.07611	2.5
307.08496	1.8
386.40628	1.5
404.14917	2.3
437.04037	2.4
520.12653	30.7
521.12549	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	520.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97589	2.6
59.01362	4.0
61.98816	9.1
68.71387	2.0
69.56898	15.6
71.01385	45.3
72.74157	2.5
78.95908	5.3
88.28023	2.3
115.00380	21.4
116.05068	28.5
124.46513	2.1
133.02960	4.1
145.02974	10.6
146.03683	2.5
152.99529	6.7
169.33293	2.2
177.01933	12.5
178.02620	4.0
192.08136	3.0
206.09679	5.1
208.13503	2.3
218.06282	2.6
218.09700	2.6
219.06841	8.6
234.09212	18.3
244.07588	5.1
247.06406	10.2
248.07143	5.1
260.07080	4.9
261.07861	3.9
262.08719	94.6
262.11511	4.6
263.09384	24.7
293.21057	5.2
306.07742	18.0
307.08463	24.1
323.22366	3.6
360.15149	3.5
361.15231	5.4
404.15015	100.0
405.15274	12.0
431.49030	2.4
439.95416	2.3
517.81146	2.3
521.25323	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
59.01382	59.2
59.25092	0.6
61.98833	100.0
70.60214	1.2
70.60547	1.4
71.01389	10.5
72.99310	0.7
73.02958	2.4
78.95923	0.6
81.97550	0.6
83.01404	1.0
85.02973	3.0
89.02459	2.1
95.01421	0.8
96.96031	1.8
98.19942	0.7
99.00873	1.6
101.02455	6.1
113.02459	4.1
115.00433	3.1
119.03513	0.9
128.63776	0.8
133.01453	4.5
135.04520	2.4
159.03043	0.9
161.04596	2.4
179.03505	2.1
179.10732	0.8
210.58566	0.6
262.08792	1.5
353.15979	0.8
353.19653	3.9
359.28131	1.3
371.20773	9.0
413.21841	9.5
414.22229	1.0
520.31592	1.0
521.33453	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	519.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38776	0.7
54.53009	0.5
55.05479	0.5
58.19410	0.5
62.18444	0.6
66.42658	0.6
78.95907	9.0
86.17630	0.5
98.19859	1.8
102.88683	0.5
105.66763	0.5
110.98547	5.3
137.06067	1.0
152.99594	6.8
153.99928	0.7
165.09198	0.9
167.01152	1.8
185.02158	5.1
217.15933	1.3
245.19011	1.1
253.18092	0.7
265.18246	1.1
289.25397	3.1
307.26331	1.1
315.23483	1.2
333.24362	100.0
334.24713	8.5
346.27133	0.6
351.25412	32.6
352.25797	3.3
432.22495	1.1
519.27325	16.5
520.27667	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	519.3178
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01855	0.6
57.03428	0.5
57.72331	0.4
59.01381	13.6
61.98826	0.8
69.55601	0.4
70.76271	0.8
71.01382	11.8
72.99312	0.7
73.02954	2.5
83.01392	0.8
85.02952	3.5
87.00868	3.2
89.02442	5.0
94.79911	0.5
95.01376	1.1
96.96014	1.3
101.02450	6.3
113.02476	3.5
115.00370	2.3
115.76040	0.5
116.05066	0.8
119.03510	0.9
121.02940	0.6
133.01384	2.2
136.05930	0.4
138.39638	0.4
145.02960	0.5
158.99158	0.4
172.05222	0.6
177.10472	0.4
182.03706	0.6
185.11819	1.1
186.06854	1.0
214.06361	1.8
229.08698	0.8
239.07164	0.6
283.19159	1.5
297.24307	1.0
309.24341	1.0
327.25366	4.9
339.25409	8.6
340.25568	0.5
357.26462	13.8
358.26898	1.6
371.15012	1.3
403.17636	0.8
404.14850	1.1
410.12204	0.6
477.30142	0.5
498.76920	0.6
501.30801	1.3
519.31720	100.0
520.32050	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.9
59.01385	56.6
61.98824	3.0
69.03450	1.9
69.28785	6.9
69.29207	2.5
71.01387	21.4
72.99310	2.1
73.02943	4.1
78.15639	1.1
79.95762	1.8
83.01396	3.3
85.02950	8.0
87.00875	1.8
89.02450	7.8
95.01390	1.5
96.96007	4.2
97.02921	1.2
97.06564	0.9
99.00874	0.9
101.02448	11.9
105.93493	0.9
111.00913	1.1
113.02454	6.6
115.00388	7.5
116.05080	1.1
119.03518	1.2
124.02629	0.9
125.09655	1.1
133.01451	9.2
134.03745	1.2
135.04478	1.3
161.04575	2.7
167.10773	2.8
169.08720	2.2
170.09056	1.8
175.03990	1.0
177.12820	1.2
179.10951	1.1
179.14470	3.0
182.26344	1.0
195.13911	9.6
205.12354	9.4
223.13397	100.0
224.13725	5.3
253.09299	21.0
254.09700	2.0
255.06595	2.7
255.09384	1.1
281.17557	3.8
282.17929	2.8
283.18716	2.2
309.24210	1.1
327.25391	1.3
339.25467	3.0
357.26529	7.5
359.14975	2.4
361.38449	1.0
454.71707	1.0
459.22412	9.9
459.28876	2.0
460.22601	1.7
469.41379	1.1
519.31781	93.8
520.32245	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	519.1879
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.91347	0.4
59.01392	3.2
61.98801	0.7
71.01387	5.4
73.02944	0.8
85.02958	2.4
87.00900	0.4
89.02444	1.0
93.03472	0.7
95.01407	0.6
96.96014	1.5
99.00870	0.6
101.02438	2.1
108.02186	1.4
113.02435	2.3
115.00365	2.0
119.03537	0.7
120.01207	0.5
121.02959	4.4
122.02974	0.5
122.03712	2.3
123.00914	0.7
127.05179	0.6
128.03522	0.8
133.01457	1.5
134.03732	1.5
135.04515	2.5
136.01668	71.8
137.02313	2.2
147.04611	0.5
149.06097	1.1
151.04012	100.0
152.04369	3.6
154.02675	0.7
159.04510	1.0
160.05301	2.1
161.02472	1.0
161.04533	1.5
162.03259	0.6
163.03990	1.1
175.04057	0.6
175.07603	1.2
177.05525	1.0
178.60448	0.5
179.03482	3.1
187.04033	0.7
189.05591	1.1
193.05013	0.6
225.14612	0.5
285.04150	0.5
315.15625	0.7
342.11063	5.2
343.11560	0.6
357.13431	92.1
358.13800	8.7
403.10013	0.5
403.19284	0.5
433.11990	0.7
518.31293	0.9
519.19922	0.6
519.32092	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89313	1.5
54.63270	1.6
59.01387	8.6
60.41180	1.5
61.65612	1.6
61.98831	6.6
66.32845	2.0
70.79711	3.7
71.01389	17.1
73.02963	1.9
85.02975	5.1
87.00923	2.1
89.02460	7.3
93.03452	2.0
96.96030	6.4
101.02456	5.2
108.02207	2.1
113.02464	3.9
115.00359	9.3
120.01283	3.1
121.02959	6.1
122.03712	2.7
128.03549	3.9
130.08844	1.8
133.01456	12.1
133.02965	3.0
134.03732	3.1
135.04576	2.4
136.01666	62.6
137.02502	2.1
143.04582	3.6
145.06227	2.2
151.04015	100.0
152.04327	2.5
160.05338	2.5
161.02437	3.0
165.00137	4.8
168.58778	1.7
174.03247	4.5
175.04002	2.1
179.03505	6.1
187.04037	2.5
193.05078	3.2
206.24358	1.7
208.99100	3.0
261.85352	1.7
275.24939	1.7
283.09729	2.0
327.15961	2.2
341.14050	3.6
342.11087	5.3
357.13452	97.8
358.13934	9.0
375.27594	2.3
403.19537	4.0
459.89432	1.8
519.32196	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	518.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80650	0.3
58.49829	0.3
61.98828	0.8
63.45704	0.3
69.89645	1.0
69.90059	0.6
73.26906	0.3
78.95907	48.1
96.96967	6.0
107.94621	0.3
110.68607	0.3
110.98536	0.5
119.19750	0.3
150.98006	2.0
152.99594	100.0
153.99950	1.3
171.00638	4.1
185.02220	0.5
277.21716	0.8
333.24347	12.0
351.25449	4.5
364.63129	0.3
431.22012	21.6
432.22549	1.8
518.25330	3.5
519.27240	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1148
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.37864	0.4
59.01371	1.9
60.03197	0.4
61.98830	0.7
65.00347	1.1
68.84739	0.4
70.17472	1.0
70.17873	0.6
71.01393	1.3
82.95712	0.4
83.01391	0.6
85.02945	0.4
89.00343	0.5
89.02461	0.5
91.01891	0.5
93.03455	0.5
97.02947	0.6
98.20625	0.5
101.02438	0.6
102.98507	0.4
109.02956	2.8
113.02470	0.5
118.91309	0.4
121.02979	3.4
133.01460	0.6
135.04579	0.4
135.35622	0.4
139.52531	0.4
147.00911	0.4
149.02475	0.7
149.99654	0.6
151.00352	1.1
161.04477	0.5
161.32451	0.4
163.00372	0.8
165.01929	12.3
166.02303	0.6
171.04536	0.7
175.03920	0.9
190.99841	0.6
193.01367	2.5
193.87506	0.5
194.09344	0.6
199.04025	2.7
201.01971	0.9
203.03484	0.7
209.98593	0.4
215.03496	2.5
226.02829	1.9
227.03485	4.7
228.04092	0.7
229.01404	0.6
243.02991	6.0
244.03517	0.7
254.02191	2.2
255.02957	2.7
256.03592	0.7
259.06113	0.6
269.04523	2.4
270.01627	0.8
271.02481	75.8
272.02856	4.7
282.01801	0.6
285.03992	2.5
287.05594	1.1
297.04025	1.0
299.01974	100.0
300.02551	13.7
301.03232	0.5
314.04333	99.2
315.05072	58.3
316.05399	2.5
357.06235	0.7
473.66199	0.5
477.10394	4.9
478.10898	0.7
519.11456	78.8
519.31818	3.0
520.11890	7.9
520.19836	0.7
535.11829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71878	0.7
57.03453	3.6
59.01384	62.0
60.01720	1.1
61.98834	100.0
65.16674	0.7
65.80778	0.7
66.35552	0.7
67.83926	0.7
68.56009	0.7
69.60386	3.5
69.60786	1.7
71.01390	10.7
71.33613	0.6
73.02955	1.7
77.63129	0.8
83.01439	0.8
85.02952	1.4
96.96030	1.6
99.72928	0.7
101.02455	3.0
109.37324	0.8
113.02484	2.1
115.00412	1.6
115.78400	0.7
120.01287	0.8
133.01501	1.3
142.87784	0.7
143.03575	1.0
192.11600	2.4
203.05629	8.7
207.13896	20.6
208.14250	0.8
283.52957	0.9
430.97394	0.7
518.30371	1.5
519.32178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86885	0.3
64.12577	0.4
71.37175	0.7
78.95908	45.6
96.96967	5.5
110.98528	0.6
120.47626	0.3
150.98059	1.9
152.99590	100.0
153.99925	1.1
171.00615	4.3
185.02243	0.6
192.32759	0.3
231.17796	0.3
277.21710	0.8
289.25345	0.4
333.24344	14.5
351.25397	5.2
429.36545	0.4
431.22015	22.7
432.22348	2.3
518.25409	3.3
519.27112	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	518.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69512	0.7
55.56819	0.6
59.01370	0.8
66.42570	0.6
70.03951	3.6
78.95907	66.3
87.00199	0.8
93.42944	0.7
96.96958	5.2
148.34529	0.7
150.98032	1.7
152.99593	100.0
153.99931	1.0
171.00647	3.2
173.13864	0.7
173.91942	0.8
191.81740	0.7
197.21693	0.7
277.21759	1.6
333.24411	1.8
349.01556	0.8
402.98889	0.7
403.89664	0.8
431.22006	39.6
432.22354	2.8
455.89954	0.8
518.24982	5.0
519.26123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	4.2
59.01384	64.5
60.01711	2.3
61.98835	100.0
62.88192	1.0
69.68401	7.4
71.01387	19.2
72.99318	1.7
73.02955	20.0
74.02479	10.2
74.99106	7.7
83.01393	7.5
85.02960	3.6
86.02483	4.1
86.99112	1.4
87.00900	1.2
87.05632	2.8
89.02464	7.4
89.19050	1.1
90.00172	1.9
96.95993	1.9
97.04099	1.3
99.05660	6.8
101.02454	22.6
101.07219	1.4
112.04115	1.3
113.02460	6.8
115.00401	3.2
119.03502	3.0
123.05724	1.3
127.05146	2.5
128.03554	23.4
131.03549	2.3
133.01454	4.3
133.02879	1.3
135.04565	2.1
135.05617	2.2
141.06723	2.4
143.03563	2.7
143.04614	30.4
146.04596	3.7
149.04558	5.1
153.06711	2.8
154.63487	1.3
160.00803	9.0
161.04555	7.6
166.09889	1.8
167.04657	2.0
167.08295	1.6
177.03328	1.9
179.03304	2.0
179.04720	7.5
189.12871	3.7
193.05186	1.7
197.05762	1.5
210.08791	6.1
221.06589	1.7
254.07816	9.3
269.03967	1.2
272.08905	16.1
288.06644	4.5
306.07669	64.8
307.07971	3.6
357.09659	2.2
456.22339	1.2
509.17865	1.4
518.21289	1.2
518.30920	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97552	1.1
59.01382	36.0
61.98835	100.0
69.48982	6.9
70.44232	0.8
71.01391	15.4
73.02954	20.4
83.01383	5.6
83.50014	0.8
85.02960	2.4
87.50773	1.0
89.02437	3.6
96.96004	2.3
99.00886	1.1
101.02453	14.0
113.02472	6.0
115.00385	1.6
119.03487	2.4
120.01253	2.3
128.03546	6.0
131.03502	1.5
133.01454	1.4
143.03476	1.6
149.04533	3.2
161.04514	3.2
189.12849	1.2
221.06702	1.7
227.10405	2.0
228.10602	1.0
235.03308	0.9
292.15311	0.9
402.12570	1.0
402.18408	1.2
470.27216	1.0
518.23822	2.4
527.84174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10466	0.6
57.03455	0.7
59.01382	100.0
60.01724	0.9
61.98830	6.6
67.93840	0.6
71.01386	9.3
71.60241	0.9
72.99316	0.6
73.02953	2.8
74.02541	0.6
76.38503	0.6
78.95934	0.7
83.01404	0.9
83.05053	0.7
85.02962	2.2
87.00886	0.7
89.02460	3.7
96.96020	3.9
99.00877	1.4
101.02459	5.4
106.06609	0.8
111.00884	1.3
113.02483	3.1
115.00378	1.2
119.03545	1.5
128.03529	0.9
131.25583	0.6
133.01439	1.5
140.03607	0.6
143.03525	1.1
145.06252	0.8
149.04546	0.9
161.04591	1.9
175.03937	0.8
179.05646	0.9
193.05099	0.7
225.11282	0.9
240.87917	0.7
253.09290	1.1
263.12488	0.6
281.17685	1.8
285.04013	1.4
289.13019	0.7
334.16492	0.8
338.70361	0.6
355.24820	0.7
397.22266	1.5
415.23734	0.7
431.09723	1.0
499.25244	0.8
517.19629	1.1
517.31201	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	518.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	21.9
61.98822	4.5
71.01385	7.2
73.02953	3.7
79.95747	25.4
80.96518	2.3
85.02959	2.3
89.02446	1.7
95.95245	18.7
96.96019	100.0
98.20631	3.1
101.02463	3.6
103.00381	13.4
113.02480	1.6
121.02947	1.7
129.95758	1.2
133.01691	1.2
136.99146	1.4
146.64622	1.2
150.97069	1.4
157.05098	1.9
164.98593	5.1
180.98161	2.2
182.96019	1.6
197.01260	1.3
225.00752	1.8
237.00795	2.9
238.98610	3.6
241.00305	3.7
250.12189	1.4
256.99789	15.9
283.05032	10.1
299.00873	6.2
327.00357	2.0
329.05490	37.8
330.05890	2.0
342.99811	25.1
369.12125	2.2
371.06528	14.6
404.04373	1.7
415.05545	41.0
416.06161	1.8
445.45053	1.5
475.29480	1.7
517.29730	4.5
518.12390	1.9
518.30780	10.2
519.32172	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47713	0.5
58.02980	1.7
59.01381	100.0
60.01735	1.1
61.98832	24.8
69.48962	3.5
71.01387	10.7
72.04552	0.7
72.99332	0.8
73.02950	5.6
74.02466	3.0
74.99121	0.8
76.18614	0.5
83.01377	2.9
85.02947	3.6
86.02502	1.6
86.15941	0.5
86.76797	0.5
89.02445	4.0
96.78052	0.4
96.96024	2.2
97.02961	0.6
97.04070	0.6
99.04516	0.7
99.05646	2.5
101.02447	7.6
109.04088	0.5
113.02459	4.5
115.00407	2.0
119.03523	1.4
120.01241	0.4
125.77760	0.5
127.05202	1.8
128.03546	8.1
133.01454	2.9
133.02979	1.4
134.03746	0.7
135.04562	1.1
135.05606	0.7
137.02461	0.6
139.08775	0.9
143.03548	0.9
143.04608	9.2
145.06212	1.9
146.04614	0.7
149.04625	1.2
153.06697	0.7
160.00642	2.7
161.02452	2.0
161.04549	3.2
163.55363	0.5
167.01776	0.6
167.04689	0.6
169.01401	0.4
171.10304	0.6
177.01933	0.8
177.03424	1.4
179.03334	0.7
179.04686	1.8
185.05891	0.5
189.12881	0.7
193.05072	1.3
197.05751	0.8
198.71954	0.5
205.38800	0.5
210.08871	2.2
228.62057	0.6
254.07826	3.0
272.08914	5.5
285.04089	1.5
288.06674	1.5
306.07651	19.3
323.07687	0.5
334.50601	0.5
341.10547	0.5
353.10364	1.3
357.09766	1.0
371.11530	0.7
383.11551	0.6
397.22324	3.6
415.23386	4.7
457.24261	1.1
493.28479	0.5
517.20605	0.5
517.31293	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	517.0041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75598	0.5
59.01383	60.6
60.01720	0.7
61.98832	3.0
62.44433	0.4
69.23707	2.3
69.24134	1.8
88.53587	0.4
90.79246	0.4
90.97153	1.1
98.20632	1.1
106.76448	0.4
114.98917	0.5
128.71019	0.4
132.98186	2.0
156.99879	0.7
157.03543	0.6
159.01547	0.5
174.99245	26.5
201.02559	8.5
202.02814	0.7
216.12669	0.6
217.00304	100.0
218.00629	3.0
309.06854	0.4
323.45633	0.5
343.03629	0.5
344.04211	0.5
358.96890	0.7
359.01453	13.0
360.01712	1.4
369.93268	0.4
374.99225	56.4
375.99567	2.3
379.44272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	28.2
61.98840	6.0
66.87833	0.7
71.01377	7.9
71.05018	0.9
72.07421	0.6
72.99309	1.0
73.02925	2.3
75.00875	0.9
79.95733	8.4
80.96511	3.3
85.02948	3.2
87.00875	1.1
87.04552	0.9
89.02447	2.8
89.79507	0.8
95.54843	0.8
95.95284	0.9
96.50096	0.9
96.96013	100.0
97.06599	1.0
98.20632	1.9
98.95615	1.0
99.00863	0.8
101.02449	5.4
103.00394	8.0
109.06486	0.8
111.01016	0.8
113.02454	3.7
115.00356	3.5
133.01437	5.7
135.04602	0.8
135.18309	0.7
138.97191	1.0
143.07161	1.3
145.06104	0.8
149.09718	0.9
161.04485	2.1
164.98622	2.7
167.10793	5.0
179.03514	0.9
180.98096	2.6
183.10158	1.2
193.12276	1.4
209.11816	1.2
218.02174	1.0
223.13307	1.2
233.04575	1.8
241.00235	3.4
253.09280	9.7
263.16580	7.4
281.17593	27.4
282.17810	1.4
402.08780	0.9
413.15054	1.3
431.15897	96.5
432.16138	7.1
473.16977	34.2
473.23404	1.7
474.17337	3.1
499.14792	1.7
517.08820	1.5
517.16003	22.6
517.30249	4.3
518.15930	1.3
518.30200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98817	12.6
65.73108	5.1
69.63091	4.4
71.01393	36.4
71.60914	7.6
72.99305	6.1
73.02921	5.5
73.29308	5.1
75.00867	10.1
83.01387	8.1
85.02950	11.4
89.02472	8.0
95.63967	4.5
96.96015	40.1
99.00924	9.2
101.02444	14.2
103.00304	5.3
113.02463	8.6
113.07200	7.2
115.00397	8.6
133.01431	8.9
171.10281	10.2
178.76360	5.3
197.08218	8.6
197.48212	4.8
225.11353	8.2
261.12506	8.5
317.15933	5.6
367.08133	12.5
411.23956	6.8
429.17709	7.9
429.24808	5.7
456.07700	6.3
515.28497	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	515.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98828	1.9
62.10980	0.8
71.01373	2.6
71.60960	1.2
73.02922	1.6
85.02977	1.6
89.02451	1.7
99.00849	1.0
101.02451	3.3
113.02426	1.6
119.03499	1.2
122.31420	0.8
161.04524	2.4
179.05620	1.0
192.48610	0.9
381.42407	0.9
413.25232	2.9
531.22052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16861	0.9
56.72166	1.0
61.35515	0.8
61.98835	100.0
63.49353	0.9
71.60528	0.9
74.21366	0.8
96.86099	1.0
156.19821	0.9
356.98297	1.1
501.73648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39174	0.1
61.34105	0.1
61.98834	100.0
64.89129	0.1
69.45775	1.1
86.86836	0.1
126.38570	0.1
146.96838	0.1
215.61462	0.1
248.16302	0.1
249.55093	0.1
454.33939	0.2
514.32983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
57.03445	0.2
58.00607	0.3
59.01380	5.8
59.31940	0.1
62.25289	0.1
69.03444	0.1
71.01383	4.8
71.61026	0.1
72.12958	0.1
72.99305	0.4
73.02953	0.9
78.95898	0.3
83.01392	0.5
83.05041	0.2
83.64198	0.1
85.02956	1.2
87.00874	0.7
87.01279	0.1
89.02447	4.0
91.03995	0.2
94.15137	0.1
95.01385	0.4
96.32827	0.1
97.02961	0.2
99.00888	0.3
101.02447	4.6
102.02793	0.1
103.04050	0.2
111.04566	0.1
113.02460	2.0
113.06141	0.1
115.04027	0.2
119.03502	1.0
125.02463	0.2
125.93319	0.1
127.07674	0.3
131.03516	0.2
133.05084	0.3
143.03502	0.4
152.99591	0.6
157.05127	0.1
161.04565	1.7
179.05597	0.6
189.78246	0.1
197.11931	0.1
205.19650	0.1
219.13899	0.1
233.15652	0.1
233.22694	0.3
235.08211	1.0
253.09283	16.5
254.09703	0.7
259.20630	0.4
275.20178	0.3
277.21713	100.0
278.22061	7.0
278.25314	0.1
431.22189	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25903	0.1
55.01892	0.4
57.03447	0.2
57.96167	0.1
58.00614	0.3
59.01381	8.7
63.78484	0.1
69.03471	0.2
71.01384	6.4
71.60269	0.1
72.99326	0.3
73.02952	1.2
75.00861	0.1
78.95930	0.3
81.03461	0.2
83.01378	0.7
83.05022	0.2
85.02956	1.6
85.03443	0.1
87.00906	0.7
88.02215	0.1
89.02446	5.1
89.27794	0.1
91.04028	0.3
95.01410	0.5
97.02963	0.2
99.00906	0.4
101.02446	6.0
102.02791	0.1
113.02448	2.6
113.06079	0.1
115.04011	0.2
119.03502	1.3
125.02478	0.2
127.07663	0.2
131.03542	0.2
133.05054	0.4
133.27925	0.1
136.75618	0.1
143.03499	0.5
149.04591	0.1
152.99602	0.6
157.05031	0.1
160.53477	0.1
161.04562	2.3
167.76036	0.1
179.05635	0.9
199.29121	0.1
233.15704	0.1
233.22748	0.4
235.08217	1.0
235.68622	0.1
253.09291	19.7
254.09627	0.7
259.20615	0.4
275.20169	0.3
277.21716	100.0
278.22067	7.7
295.34546	0.1
297.96304	0.1
395.60687	0.1
519.14471	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	511.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24768	0.3
52.18718	0.3
57.59345	0.3
59.01385	1.6
61.98828	0.4
63.50789	0.3
71.01384	1.0
72.99287	0.3
78.95919	0.4
79.95750	0.3
96.96016	2.0
96.96941	0.4
98.20642	0.7
98.95603	0.4
99.92587	14.0
100.92640	0.5
100.93376	1.1
101.02464	0.4
103.00394	0.5
111.00864	0.5
113.02447	0.4
114.94975	0.4
115.00318	0.3
115.92085	24.9
116.92867	100.0
117.92882	4.9
133.01453	0.4
134.03722	0.3
135.04549	0.3
140.92899	0.5
141.93555	0.3
142.94431	1.5
148.05298	1.3
158.93929	0.4
163.07669	1.3
169.93152	0.4
174.93428	0.6
179.03253	0.4
184.91846	1.0
186.93420	0.4
196.95482	0.6
199.29724	0.3
231.98282	0.4
238.05775	0.3
242.95995	0.9
266.27747	0.3
278.99695	0.9
284.97165	0.6
287.14127	0.3
312.23480	0.3
318.14673	0.5
388.72043	0.3
389.03369	0.7
407.04449	3.0
408.04733	0.7
422.91772	0.3
425.05710	2.9
425.14944	1.0
437.05682	0.5
449.05457	1.3
451.33615	0.4
467.06442	2.9
468.06729	0.4
475.03592	1.5
511.05505	7.2
511.17514	0.3
512.05615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07237	2.2
59.01374	3.4
61.98835	100.0
69.30923	16.8
69.31345	5.2
77.54849	2.1
84.91642	1.9
96.96022	3.6
98.19843	4.4
104.04256	1.9
110.68596	2.5
116.92860	3.1
131.81171	2.0
151.00356	2.3
161.89688	2.5
183.10184	4.2
227.03531	25.9
233.63440	2.1
239.07198	3.4
255.02992	42.7
256.03424	3.7
284.03278	58.4
285.04044	19.9
319.14670	2.6
447.09354	92.6
448.09512	9.7
503.02759	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	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99599	1.8
59.01388	15.3
61.98529	4.6
61.98837	76.5
69.66611	11.5
71.01372	5.5
78.49480	2.2
94.95522	2.6
96.96012	13.4
98.20626	2.6
101.02455	3.4
110.91162	2.1
114.12051	2.1
115.00396	2.7
121.03105	1.8
124.00311	2.0
129.72870	2.1
133.01413	3.8
153.02074	2.1
199.24524	2.0
208.62256	1.9
227.03506	34.3
255.02971	43.8
256.03647	3.9
284.03284	47.1
285.03940	23.2
329.23560	3.5
347.24500	4.0
348.24738	2.7
366.25357	2.7
405.19901	2.7
408.18771	2.5
447.09363	100.0
448.09543	10.4
467.10825	2.6
509.22083	3.4
509.29504	12.3
510.21667	5.8
510.29919	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.1
61.98828	1.2
71.01387	3.8
71.59812	0.6
73.02944	0.6
78.95903	0.9
85.02959	0.9
87.00894	0.6
89.02451	4.3
97.06605	1.1
99.08182	2.1
101.02453	4.1
113.02480	2.4
113.09764	1.1
119.03497	1.5
119.44838	0.5
139.98021	0.5
141.09215	0.6
143.03490	0.6
143.07164	3.4
152.99655	1.3
161.04608	2.0
179.05591	1.2
223.20734	0.4
251.20068	0.8
253.09309	25.1
254.09731	0.6
267.19644	0.7
269.21231	100.0
270.21570	7.6
278.49255	0.5
287.93503	0.5
307.32846	0.4
382.48969	0.5
408.29712	0.5
505.35199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.5
60.08458	0.3
69.34315	0.8
69.34727	2.8
78.95910	9.4
96.96979	0.8
98.20551	0.8
152.99599	14.7
171.00645	1.3
195.83945	0.4
227.03308	2.3
240.72099	0.4
245.04179	1.6
248.73196	0.4
279.23300	100.0
280.23660	6.8
281.24796	0.5
282.25183	1.2
507.27304	26.2
508.27826	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	509.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41093	2.6
56.53000	3.1
59.01099	5.7
59.01382	100.0
61.98838	20.8
67.97235	3.0
69.68431	19.0
83.05024	4.8
86.61799	3.3
96.95998	5.7
98.19900	6.5
104.64172	3.1
129.31937	3.3
135.01804	2.6
171.10233	6.4
277.69980	3.4
284.53369	3.0
293.59943	4.3
391.17633	3.3
408.73550	3.6
431.24661	4.8
449.25357	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98846	6.7
69.65788	3.7
69.66192	12.2
78.95912	4.2
96.96029	12.5
98.19852	2.9
115.73587	2.5
118.13815	2.3
136.04695	2.7
143.07152	18.0
159.07016	2.5
179.73447	2.9
222.78893	2.8
249.14954	5.5
285.04355	2.5
294.03784	2.6
320.27856	2.6
390.95517	2.4
423.16928	9.0
431.24509	3.3
447.13525	8.0
449.25681	16.3
465.17755	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	505.2574
Annotation	Amoritin
Peak:m/z	Relative Intensity
52.28400	0.7
55.21009	0.5
55.94800	0.5
59.01355	0.9
60.62746	0.6
74.02824	0.6
78.95907	11.7
80.99696	0.7
84.62931	0.5
96.96944	0.7
129.13423	0.6
152.99593	18.7
154.99774	0.6
171.00661	1.8
227.03285	2.9
245.04303	2.0
275.20306	0.6
277.21725	100.0
278.22092	7.3
505.25784	32.6
506.26074	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82127	0.6
59.01374	1.1
70.10902	2.6
78.95911	26.9
78.96375	1.4
81.34461	0.6
96.96965	2.2
152.99594	42.5
171.00644	1.7
203.11896	0.6
227.03253	5.8
245.04210	1.4
275.20209	0.8
277.21732	100.0
278.22067	6.9
413.21085	1.4
423.26523	0.7
505.25751	64.7
506.26105	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	505.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36121	0.3
59.01391	0.4
61.98824	0.8
70.74123	0.4
70.74442	0.5
73.65179	0.3
78.95908	61.2
87.39427	0.3
96.96969	6.7
147.65231	0.3
150.98041	1.7
152.99594	100.0
153.99934	1.0
171.00635	3.5
175.28442	0.3
333.24448	0.7
351.25595	0.5
434.99219	0.3
505.25735	14.8
506.26117	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01146	1.3
59.01385	16.3
65.35873	0.9
68.45201	0.9
71.01382	15.7
71.09412	1.2
71.09761	1.9
72.99303	3.3
79.71968	1.0
79.95773	0.9
81.89759	1.1
87.00896	1.1
89.02442	2.2
96.96008	6.4
101.02448	1.8
114.99550	1.4
115.00374	29.8
133.01437	45.5
134.01723	1.8
134.02713	1.2
134.03752	2.6
146.03697	1.1
197.06018	3.4
240.04155	1.6
241.04967	2.1
268.03754	56.5
269.04041	2.6
283.06122	100.0
283.17120	1.7
284.06396	11.8
309.14929	29.3
309.18463	1.7
310.15256	3.2
327.16019	15.6
328.16205	1.6
344.00290	1.3
345.17041	11.6
346.17422	1.4
353.14011	10.9
371.14984	51.3
372.15396	6.1
441.14532	1.3
460.99045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46054	1.4
59.01383	31.5
60.33618	1.3
61.98832	4.7
63.86048	1.4
69.53207	4.6
69.53616	4.7
71.01389	32.5
72.99307	1.4
73.02955	2.6
87.00886	3.7
89.02472	3.0
95.05053	2.3
96.96008	4.6
98.19903	2.6
101.02459	3.6
105.03483	6.6
106.04266	2.0
109.02959	2.9
111.00881	1.4
113.02501	3.5
115.00394	21.3
121.02943	5.0
133.01494	7.6
133.02968	57.7
134.03761	72.8
135.04568	10.4
137.02458	17.2
139.04054	7.3
150.03290	2.4
159.04550	2.0
161.02635	1.5
161.04579	2.1
174.03200	1.7
174.06847	1.6
176.04773	3.2
177.00476	2.8
177.01932	34.3
178.02722	58.3
179.03316	2.5
183.13919	3.3
186.06842	1.8
187.04050	6.5
201.09277	1.8
202.06322	2.9
209.11816	17.0
210.12262	1.3
211.13400	68.8
212.13734	4.6
214.06294	2.7
229.08701	2.9
230.09372	1.6
257.15643	1.9
283.13440	3.2
283.16742	2.2
299.16449	3.4
301.14307	1.4
309.14975	8.2
311.12924	1.4
317.17676	2.1
327.16040	36.7
328.16354	2.0
345.17081	100.0
346.17419	11.0
389.16077	21.1
390.16501	2.2
419.13623	1.9
470.67642	1.3
474.32574	1.5
505.33691	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91582	2.7
70.91933	1.3
71.01383	16.3
93.03461	1.3
115.00372	13.7
119.05047	1.3
121.02968	5.8
122.03758	5.5
123.04543	5.9
134.03751	70.2
135.04620	5.6
137.02446	7.0
139.04027	3.0
143.92978	1.1
145.97208	1.2
149.02437	14.3
149.06105	16.9
150.03227	46.6
151.04022	30.0
164.04816	3.6
165.05574	46.1
166.05937	1.6
178.02719	28.4
179.03046	1.4
180.04292	3.6
181.05086	20.8
192.04260	2.8
193.05063	100.0
194.05356	3.2
195.06619	14.9
207.06525	1.7
226.93919	1.6
239.07162	1.8
267.06567	1.6
282.08981	6.1
297.11237	2.1
336.69327	1.2
341.10309	26.5
342.10712	3.0
389.12430	82.4
390.12976	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54802	1.8
58.14959	1.8
59.06472	2.0
70.12125	4.6
70.12508	3.4
71.01392	23.9
79.68964	2.0
83.13005	2.1
88.98843	2.3
89.43477	2.1
93.03431	2.3
115.00387	12.1
121.02966	14.6
122.03722	7.3
134.03741	45.1
135.04459	2.6
137.02428	5.7
139.03960	1.9
149.02458	22.1
149.06102	12.9
150.03242	61.2
164.04752	4.6
165.05577	53.5
166.05875	3.2
178.02730	21.6
193.05075	100.0
194.05426	5.2
195.06627	45.7
250.06291	4.5
267.06445	2.8
276.80032	2.3
282.08887	6.8
289.76611	1.8
313.14499	3.1
341.10312	49.2
342.10397	3.8
361.16528	8.1
362.16989	2.2
389.12372	19.8
405.23279	1.9
506.63977	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	505.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60506	1.3
59.01372	1.9
61.74056	1.3
69.29026	6.8
69.29449	6.3
71.01388	18.9
93.03444	1.8
114.50532	1.4
115.00368	11.5
116.90742	1.4
121.02927	3.8
122.03757	5.6
123.04581	1.9
133.01408	4.7
133.02873	1.5
134.03751	41.4
135.04018	1.5
137.02451	5.8
139.03963	1.7
149.02480	7.5
149.06090	11.6
150.03241	41.5
164.04840	1.5
165.05588	53.2
166.05933	1.8
178.02748	21.7
180.04242	2.2
193.05078	100.0
194.05399	4.5
195.06650	42.1
196.06920	2.0
200.40886	1.5
341.10291	4.5
389.12515	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	505.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77705	1.1
54.28304	1.4
59.07499	1.3
65.23882	1.2
66.60888	1.0
70.95078	2.7
71.01388	14.8
73.42220	1.3
75.36178	1.1
77.41424	1.2
88.20181	1.1
93.03453	1.7
115.00397	15.0
121.02946	4.2
122.03745	8.7
123.04526	2.8
133.02924	1.2
134.03746	62.6
135.04060	1.3
137.02414	5.9
139.04027	2.5
149.02435	13.8
149.06075	12.4
150.03227	60.4
151.04034	15.7
164.04805	3.4
165.05573	70.5
166.05914	1.8
178.02724	25.2
179.03015	1.6
180.04288	5.2
181.05077	17.0
193.05063	100.0
194.05415	3.6
195.06631	29.4
216.95844	1.3
222.71843	1.2
247.89655	1.3
283.09320	1.3
341.10260	2.8
380.51547	1.3
389.12424	63.1
390.12811	5.7
441.49500	1.4
513.74292	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	505.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82447	0.4
51.36576	0.3
54.50957	0.3
59.01372	1.1
61.18821	0.3
64.47508	0.4
70.05035	1.8
75.52209	0.4
78.95898	7.2
83.77940	0.4
91.07606	0.4
96.96950	0.8
98.75605	0.4
121.02962	100.0
122.03242	2.1
152.99597	12.7
171.00752	0.7
180.05893	0.9
181.06625	3.2
187.92340	0.4
196.65257	0.4
197.06050	3.3
207.04572	0.9
225.05605	2.3
246.60529	0.4
257.09729	0.6
313.07236	4.8
324.88107	0.4
357.06247	0.9
373.10645	0.6
383.07846	1.4
401.44537	0.4
417.09787	11.2
418.10306	1.3
433.09009	0.6
505.11456	8.1
505.25638	2.0
506.11713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11174	1.4
61.40757	1.6
61.98834	100.0
73.29883	1.7
78.95923	3.2
88.51711	1.5
142.16011	1.6
152.99603	2.7
266.88425	1.9
279.23325	1.8
367.58005	1.5
481.18228	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	505.0991
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
55.01884	0.9
57.03445	0.8
57.07384	0.6
59.01382	10.9
61.98829	1.4
65.00338	1.4
71.01385	13.1
71.59702	0.7
71.60098	0.7
72.99315	1.3
73.02946	4.7
83.01389	3.4
83.35645	0.6
85.02959	6.7
88.98811	1.4
89.02453	4.6
94.43153	0.7
95.01411	1.2
96.96024	2.7
97.06478	0.6
97.14101	0.8
99.00877	1.8
101.02452	9.7
107.01402	2.6
108.02208	1.8
109.02987	1.3
113.02438	5.8
115.00360	2.1
116.92862	0.8
119.03519	0.7
121.02962	1.5
124.11952	0.6
128.03529	0.8
133.01451	1.9
134.03758	2.5
135.00877	0.7
135.04492	1.3
143.03476	1.3
143.04555	0.9
148.01704	1.9
149.02368	0.7
149.04544	1.8
149.06053	0.7
150.03149	0.8
151.00385	8.6
159.02989	1.4
160.00667	0.7
161.04538	3.4
163.00377	2.5
165.05608	1.1
169.01524	0.7
175.02492	1.4
178.02727	1.0
178.77313	0.7
178.99872	4.0
179.03622	0.7
183.04520	1.0
193.05058	2.7
195.06683	0.9
199.03874	1.1
201.36845	0.6
209.34288	0.6
211.03952	1.1
226.02698	1.6
227.03436	3.2
239.07004	0.8
243.02966	11.1
244.03625	0.9
245.04619	1.3
254.02226	2.4
255.02985	26.9
256.03387	2.0
271.02484	56.9
272.02887	4.8
273.04053	1.0
283.02542	1.3
285.07660	1.6
300.02762	100.0
301.03485	32.4
302.03854	1.7
314.89249	0.7
341.10205	0.7
343.53168	0.7
389.12558	2.8
461.14633	7.1
463.08936	4.5
490.54404	0.6
505.09879	62.4
505.26205	1.9
506.10220	6.8
506.21332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85758	0.5
59.01383	29.2
60.01722	1.7
61.01781	0.5
61.98835	100.0
71.58787	0.6
91.56679	0.5
131.40514	0.5
132.98291	0.6
158.03831	0.6
174.99257	5.6
175.99641	1.4
178.98598	0.7
201.02502	3.1
202.02693	4.1
203.02229	4.7
204.00043	6.0
204.02826	0.7
216.98178	1.2
217.00310	26.8
218.00661	8.1
219.00713	1.7
219.97762	46.5
220.99680	2.8
221.12801	0.5
359.01596	2.0
360.01733	6.9
361.01355	10.0
361.98645	21.6
363.00101	1.8
503.95602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86462	1.6
59.01376	5.0
60.21727	1.4
61.98835	100.0
64.12871	1.4
71.01395	4.5
71.60876	2.7
72.99316	2.7
75.00867	5.8
78.95901	3.3
85.02953	6.0
87.00891	2.3
89.02444	2.5
95.01378	3.4
96.96072	1.8
99.00896	2.7
113.02489	7.6
113.03152	1.6
152.99690	2.0
175.02551	1.8
255.23297	24.8
267.07294	2.3
307.26395	5.5
412.89017	1.6
444.33319	2.4
505.30310	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88987	1.5
61.98832	7.9
66.03487	15.3
68.01411	3.3
71.01397	1.6
78.95908	5.7
82.02986	34.8
83.01401	2.5
94.02989	3.1
100.53405	1.4
109.02955	1.9
110.02486	100.0
111.02077	9.5
111.02731	2.9
116.05064	4.9
120.04566	2.3
122.02451	8.7
136.04018	1.9
140.03539	9.7
152.99573	1.8
153.03136	8.1
159.48047	2.0
164.03523	6.7
182.04607	9.0
184.15942	1.4
200.72269	1.6
225.22159	1.6
225.25026	1.5
254.95796	1.7
267.02441	1.9
277.21695	17.6
320.00418	1.6
365.56299	1.6
460.26981	6.2
503.27655	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87665	0.9
58.76614	0.9
71.53443	0.9
78.95926	3.3
79.46336	0.9
98.20624	3.3
110.98539	3.7
124.17953	0.9
167.01125	1.4
185.02242	3.1
335.25919	100.0
336.26236	7.7
381.61209	1.1
409.97635	0.9
451.72342	1.0
487.18515	1.0
503.21356	4.1
503.27878	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	503.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	5.8
59.01383	100.0
61.98829	3.7
66.81969	3.8
70.43700	6.9
70.44059	11.0
71.01388	37.8
73.02938	10.9
77.92151	4.0
79.95758	4.3
83.01372	8.2
85.02951	16.3
89.02407	5.3
95.01421	5.3
96.96017	24.0
98.95595	20.9
101.02426	17.8
113.02470	19.7
115.00365	10.8
115.54276	4.5
119.05062	4.2
127.05131	17.2
128.03540	13.6
128.66353	3.8
130.08810	4.9
133.01445	7.6
145.06250	7.6
161.04498	9.0
179.05522	5.0
179.10725	4.7
193.05022	4.2
197.92552	3.9
201.14888	4.1
325.14511	4.6
399.23801	8.3
417.16513	27.3
459.17642	10.3
503.16840	10.3
503.24600	16.3
503.32782	75.4
504.33395	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	502.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87014	0.7
57.36245	0.7
61.98835	100.0
62.39202	0.7
70.12440	3.4
135.31125	0.7
184.95840	0.7
227.16545	0.8
305.24802	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.294
Annotation	Phomopsichalasin
Peak:m/z	Relative Intensity
59.01384	1.1
61.98811	0.1
62.96411	0.1
71.01367	0.4
71.60271	0.1
78.95907	26.8
83.05036	0.2
96.96944	0.5
99.64705	0.1
104.97472	0.1
121.06675	0.1
122.98537	0.2
127.07647	0.3
128.25476	0.1
128.26491	0.1
134.98521	0.2
138.65138	0.1
152.99594	3.6
155.14435	0.1
160.01268	0.1
168.04311	4.1
169.04782	0.1
171.00621	0.2
183.13928	0.1
194.05849	0.2
205.19614	0.2
214.88637	0.1
224.06931	11.4
225.07141	0.4
231.21114	0.3
233.22798	0.4
242.07994	2.7
245.04314	0.8
259.20667	0.6
275.20135	1.0
277.21713	100.0
278.22067	7.2
293.34909	0.1
398.51920	0.1
413.20941	0.1
446.24030	0.1
502.29410	24.8
503.29840	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	502.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97528	0.1
59.01376	1.0
71.01382	0.3
71.60597	0.1
78.95907	6.6
83.03431	0.1
83.05010	0.2
84.11929	0.1
101.21721	0.1
118.20887	0.1
127.07638	0.2
152.99612	0.5
168.04309	1.5
178.19830	0.1
214.69012	0.1
224.06862	1.0
233.22722	0.4
242.07999	3.2
243.08313	0.1
259.20615	0.3
275.20123	0.4
277.21719	100.0
278.22067	7.8
378.07291	0.1
456.34335	0.1
502.29428	7.4
503.29840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91888	0.6
61.98832	100.0
70.80876	1.3
70.94678	0.6
70.97230	0.5
99.96775	0.5
136.11853	0.6
150.35164	0.7
174.56194	0.6
197.80952	0.5
199.72211	0.7
221.50897	0.6
279.89008	0.6
406.44839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
65.67531	0.7
75.56257	0.6
78.95908	0.7
86.32952	0.6
98.20636	1.8
202.58804	0.6
325.86050	0.7
337.87967	0.6
353.19467	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.98338	0.5
69.49170	4.1
88.51243	0.6
98.19878	0.8
111.57140	0.7
114.57384	0.5
241.16760	0.5
360.16010	0.7
512.98291	0.6
516.46857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01723	1.2
61.98850	0.5
69.03483	0.5
70.62921	0.8
70.63277	0.8
71.01385	3.7
73.02953	5.5
81.01994	0.4
81.60392	0.4
83.01411	1.7
85.02928	0.8
89.02481	1.1
90.87215	0.4
96.96021	3.1
101.02450	6.8
106.51517	0.4
113.02448	2.3
115.00359	0.8
119.03522	0.8
123.02240	0.4
131.03592	0.6
143.03549	0.7
149.04602	0.7
161.04636	1.9
220.78018	0.4
254.21123	0.4
300.21832	0.4
316.65567	0.4
415.16434	2.3
416.16986	0.5
457.18039	0.7
501.16843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81931	0.6
59.01382	100.0
60.01723	1.0
61.98833	27.9
65.17657	0.5
68.75238	0.5
69.77404	3.2
71.01392	2.2
85.02966	1.1
89.02451	0.9
113.02464	0.6
115.00398	1.2
116.05098	0.6
119.05037	1.1
120.01265	0.7
120.21059	0.5
127.33545	0.5
128.01714	0.6
133.01454	0.6
138.64816	0.5
161.04599	1.8
163.04053	1.4
180.05754	0.6
200.37976	0.6
261.03976	1.4
377.48019	0.5
381.22787	0.9
399.23999	2.0
441.24741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.7
59.01382	36.1
60.01717	0.9
61.98838	5.1
68.99818	1.0
69.03463	1.0
71.01386	18.6
71.05023	1.0
71.60163	1.2
72.04552	1.5
72.99305	1.5
73.02944	3.5
73.06609	0.7
75.00862	1.1
78.07536	0.8
79.95720	0.7
81.54337	0.7
82.02982	2.0
83.01402	1.5
83.05027	1.5
83.06103	0.9
84.04535	1.2
85.02950	8.6
87.00901	2.2
87.04514	0.9
89.02446	3.1
95.01414	1.6
95.05018	1.1
96.96024	8.1
97.02927	1.1
97.06596	2.0
99.00900	2.1
101.02445	8.4
101.07183	1.0
102.11608	0.7
103.92004	0.7
109.04092	3.7
109.06602	1.8
110.02499	1.2
113.02467	6.4
115.00362	3.8
116.05063	6.0
119.03512	2.1
120.01314	0.9
125.02462	1.4
125.03438	0.8
125.09741	1.7
127.05144	34.1
128.03558	10.3
128.05531	1.0
133.01433	2.1
133.02965	3.4
135.04533	1.1
137.09712	1.4
138.50446	0.7
143.03604	1.2
145.06200	11.5
155.10789	2.6
156.13963	0.9
161.04504	1.9
161.09782	0.7
163.11287	1.6
170.15530	2.0
171.10265	4.9
177.01942	2.9
181.08624	0.9
183.10318	2.7
183.13910	1.3
183.52800	0.7
184.65633	0.8
184.89420	0.7
185.11815	4.2
187.07336	1.1
192.04221	1.4
195.10097	0.7
198.15102	1.2
199.13293	0.9
207.06691	1.5
207.10219	3.8
211.13417	5.8
225.11392	6.2
227.12891	2.7
243.12381	3.4
265.19339	0.9
267.07114	1.2
269.12860	1.1
273.13409	1.1
278.08121	1.0
279.08606	3.1
280.90436	0.8
293.10123	1.2
294.10941	1.9
294.24319	1.8
300.46436	0.8
308.12933	1.8
309.13220	4.5
311.25983	1.9
313.23734	1.3
321.24484	0.8
339.25177	0.9
348.17865	1.3
355.19135	1.2
357.26553	3.1
373.20322	1.4
377.27750	1.5
377.31900	3.5
379.29694	10.4
380.29865	1.4
385.10153	0.9
385.15070	3.1
386.18628	1.1
415.16348	3.5
421.30530	1.1
423.28690	5.8
430.17545	1.5
439.31955	6.7
441.29675	15.3
442.29797	1.8
457.17316	2.1
483.30878	4.6
501.31769	100.0
502.32166	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	501.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03450	4.5
58.00587	0.7
59.01383	21.4
61.98829	1.6
67.01897	1.1
68.99816	1.6
69.03453	2.0
69.68419	3.1
71.01389	35.2
71.05031	0.8
72.99323	4.4
73.02946	5.0
75.00880	15.4
80.02695	1.9
81.03457	1.9
81.66685	0.5
83.01394	5.1
83.05018	0.9
85.02959	30.3
86.03307	0.7
87.00882	11.1
87.04532	0.7
89.02448	6.7
95.01399	6.3
95.05029	0.7
97.02936	1.3
97.06587	1.0
97.13380	0.5
99.00896	9.6
99.04533	5.5
101.02453	10.0
103.00369	2.6
107.05089	0.5
109.06596	0.9
111.00881	1.4
111.04504	0.7
112.01681	1.3
113.02460	34.0
114.02792	0.7
115.00386	3.5
117.01967	1.9
119.03493	0.7
120.05843	0.6
121.06587	2.6
121.10239	0.7
125.02444	1.1
125.07177	0.6
127.05181	0.6
128.03497	0.5
129.01979	2.3
131.03491	0.8
139.11288	1.1
141.12901	0.9
143.03552	1.0
145.06189	1.6
149.04559	0.8
151.11302	1.0
152.04840	0.6
156.70667	0.6
157.01443	1.4
157.12292	1.7
159.02931	0.8
161.04575	1.8
163.11310	0.8
165.13014	0.6
171.10349	0.9
175.02480	3.1
175.03856	0.9
181.12337	0.7
183.10252	0.8
189.12846	10.6
190.13307	0.6
199.13435	1.1
201.11400	0.6
201.15005	0.8
205.07176	1.5
207.05025	1.1
207.13901	6.9
208.14305	0.6
211.13359	1.5
225.11273	1.5
228.13667	0.8
231.05037	1.1
233.11800	0.8
249.06160	16.6
251.12924	8.0
267.07217	48.9
267.19751	0.7
268.07504	1.9
278.08231	0.6
279.08694	1.1
293.10532	0.8
294.10901	1.0
301.16504	0.7
309.13226	1.5
321.24377	1.2
325.16568	4.4
330.16827	1.9
339.25320	2.3
348.17975	2.2
357.26401	4.3
371.21158	0.7
374.56400	0.6
385.14874	1.6
429.25293	1.0
435.27310	0.6
439.19650	5.3
441.28610	0.9
453.28815	1.0
465.28851	0.8
483.18646	2.6
483.29526	2.9
501.19769	100.0
501.30792	27.8
502.20142	11.7
502.31055	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14113	1.0
59.01373	2.5
71.01373	1.7
71.59798	1.0
71.60201	1.4
72.00914	2.9
72.99325	0.9
73.04074	22.4
74.02472	5.8
79.95776	1.0
80.96526	2.6
83.02530	3.6
84.29367	0.8
84.59100	0.9
85.02959	3.4
85.04079	2.0
86.02495	1.4
87.05662	4.9
88.04044	1.1
93.03459	3.6
95.02544	2.6
96.00957	1.1
96.96007	15.0
98.95613	1.3
99.02010	16.3
99.05647	2.6
103.00394	0.9
104.03539	2.7
106.04227	0.9
109.04109	1.0
112.05190	8.1
113.03588	10.6
115.00359	2.6
119.05034	58.0
120.05370	1.2
126.06696	1.7
127.05103	1.4
127.85344	0.8
128.03558	5.4
130.06232	23.8
130.08774	1.3
133.01439	3.8
135.05621	1.0
136.07619	2.0
139.08762	0.9
140.05415	1.3
142.06209	1.4
143.04642	5.1
144.07785	5.3
155.11873	1.4
157.05290	1.2
158.06145	3.2
162.05576	1.9
163.04002	7.1
164.07156	1.0
167.03503	0.9
169.07310	16.9
179.04608	1.2
180.06665	37.1
181.06903	1.3
183.08868	2.0
187.08382	6.8
193.09830	11.1
201.09961	3.8
202.05107	22.3
210.08704	1.0
211.07724	2.0
211.14529	0.9
219.07706	2.8
236.10403	1.4
237.08827	4.0
242.18671	1.0
250.11955	14.9
254.07864	2.8
272.08896	2.6
276.09927	10.4
306.29434	0.9
307.14157	12.6
351.13037	1.5
356.40134	0.8
415.12863	8.8
439.12762	1.2
457.17450	100.0
458.17584	11.5
466.33109	0.9
467.21063	1.1
471.25955	2.6
484.23947	1.1
501.19434	8.2
501.26865	16.3
502.25656	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	501.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97557	0.6
59.01093	1.0
59.01383	17.7
61.98838	5.5
69.12839	0.5
69.66404	0.5
70.14413	1.8
71.01386	3.1
72.99310	0.7
73.02961	1.5
79.95747	5.1
80.96521	1.8
83.01393	0.5
85.02970	1.6
89.02438	0.6
91.90350	0.5
94.40028	0.4
95.62563	0.5
96.96017	100.0
98.20554	0.9
100.29080	0.5
101.02448	2.3
103.00383	9.2
113.02471	0.7
114.05625	0.5
115.00392	1.1
122.97523	0.6
126.47361	0.5
127.05182	1.4
128.03580	0.7
133.01404	1.0
133.02980	0.8
145.06161	0.8
150.97047	0.7
152.98636	0.7
164.98602	3.0
177.01910	0.8
178.05029	0.6
179.10803	1.2
180.98083	1.5
188.19624	0.7
191.03539	1.0
209.02995	0.7
223.09811	1.6
241.00255	2.3
295.40317	0.6
297.07611	1.0
339.10818	1.2
340.10089	0.6
397.15384	2.4
415.16440	96.1
416.16724	7.0
440.33353	0.8
457.17496	39.0
458.17834	3.6
483.15198	1.3
501.16507	30.1
501.31723	3.4
502.17090	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80799	1.2
55.01858	1.3
59.01384	96.9
61.98823	2.7
66.88574	1.3
71.01400	7.3
73.02943	1.8
77.50833	1.1
79.95743	5.7
80.96509	2.4
85.02964	2.5
87.18861	1.1
89.02467	1.6
96.96016	97.5
101.02461	3.2
103.00392	8.1
164.98674	3.0
180.98186	3.0
213.74464	1.1
215.63255	1.3
241.00255	4.9
253.09332	2.2
263.16431	3.2
264.16830	4.1
265.18118	7.4
347.02759	1.4
352.31268	1.4
415.16440	100.0
416.16742	9.6
457.17502	39.1
458.17963	6.1
492.25800	1.5
501.16458	30.6
502.16852	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.6
61.98835	1.6
70.03171	3.4
70.03584	5.0
71.01384	33.2
73.02930	3.9
85.02949	10.2
87.04544	1.8
89.02469	4.7
97.02923	3.1
101.02453	8.0
109.06579	2.1
111.04485	2.1
113.02463	8.1
115.00388	21.6
119.03443	1.7
125.06084	4.1
133.01456	4.2
133.10214	1.9
135.08131	3.1
135.11797	17.1
146.07423	1.6
159.08139	3.5
159.11787	5.5
161.04579	3.8
161.09738	19.2
175.11363	1.9
177.12880	7.5
179.10783	100.0
180.11124	5.4
182.39977	1.5
191.01872	1.7
193.12286	3.9
197.42174	1.4
203.10774	4.8
205.08603	4.6
221.11803	11.9
223.09756	97.3
224.10103	6.8
239.83072	1.4
251.12849	2.8
265.10822	22.0
295.11835	12.9
325.12888	47.6
326.13232	4.3
346.66998	1.6
385.15082	49.9
386.15381	4.7
501.16324	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	501.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	72.9
60.69287	0.4
61.98835	0.7
63.88411	0.5
66.20917	0.4
69.28439	2.0
69.28864	1.9
72.99322	0.6
129.21870	0.4
132.98180	1.6
157.03549	2.7
157.84781	0.4
159.01517	1.1
174.99252	22.4
201.02570	32.7
202.02646	2.2
217.00310	100.0
218.00586	2.8
218.45247	0.4
291.42004	0.4
343.03720	2.5
359.01477	61.1
360.01770	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	501.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.1
59.01380	50.9
60.99318	14.1
61.38565	2.6
62.70442	2.7
69.30322	24.4
69.95831	2.5
71.01381	24.0
72.99296	3.2
73.02950	7.1
73.09516	2.1
73.48888	2.5
77.85812	2.5
79.13309	2.3
79.95741	8.2
84.83562	2.4
85.02958	8.0
85.67798	2.6
88.98809	100.0
89.02470	7.2
95.01377	3.9
96.96016	80.1
97.02942	2.5
97.06568	2.5
98.67591	2.5
98.95583	3.5
99.00877	2.8
101.02447	11.6
103.00359	6.6
107.13584	2.8
113.02464	7.0
115.00355	3.5
127.05145	11.8
128.03571	4.2
133.01434	4.4
143.04553	3.7
145.06154	6.0
155.10780	6.9
161.04561	2.8
175.02428	3.6
179.10797	7.2
223.09705	5.0
260.66516	2.7
273.13480	3.6
306.07614	3.0
357.13492	2.8
377.47256	3.0
387.87314	2.8
391.20941	3.4
415.16449	62.5
416.16510	4.2
457.17139	26.3
500.29648	3.2
501.16263	20.2
501.24661	2.7
501.31818	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.4
59.01378	18.6
61.98805	3.6
62.71859	2.1
69.03452	3.5
71.01394	46.2
73.02943	10.1
81.07072	2.6
85.02956	50.4
87.04521	3.8
89.02431	8.0
90.67776	2.2
96.96003	4.3
97.02954	7.0
98.19837	6.9
101.02431	12.9
109.06609	5.6
111.04488	2.7
113.02417	8.6
115.00385	36.6
119.04998	5.1
121.06578	3.2
125.06091	7.2
129.01929	5.5
133.01421	10.5
133.03053	2.7
135.08156	7.7
135.11826	16.6
143.03371	2.2
144.05913	2.4
147.03014	6.5
159.08147	10.2
159.11757	9.9
161.04559	2.7
161.09717	27.6
162.10037	2.8
163.03989	7.2
173.09763	2.5
177.01921	33.0
177.12828	17.2
179.10780	100.0
180.11125	2.9
191.02013	20.1
193.12366	6.7
203.10849	5.8
204.21431	2.5
205.08678	7.0
209.03047	6.8
221.11823	28.5
222.12257	3.0
223.09764	77.2
224.10030	4.0
229.61224	3.2
251.12910	7.1
265.10828	42.0
272.09210	2.5
281.13913	3.6
295.11990	14.9
325.12930	93.7
326.13278	9.2
337.06161	2.4
339.07230	11.0
355.06601	6.9
385.15070	48.6
386.15317	3.2
408.26505	2.4
441.43161	2.6
501.15948	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	500.233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.4
61.98819	1.4
62.38476	1.1
70.62758	3.5
71.01392	3.6
71.06998	1.0
79.95735	1.5
84.04556	4.8
85.02982	1.3
86.02473	1.0
89.02475	1.7
96.96033	10.4
98.50085	1.1
101.02460	3.0
115.00319	2.9
116.04991	1.8
124.39611	1.3
125.09748	2.2
128.03546	25.2
148.30904	1.1
156.11139	1.2
171.10260	1.2
180.76144	1.0
219.17542	3.5
220.17842	5.0
232.32878	1.2
245.15497	1.9
246.15788	1.6
253.09296	5.6
254.09622	2.6
263.16534	14.8
264.16837	19.5
265.18051	4.1
265.21677	2.6
275.20123	8.6
293.21259	38.0
294.21567	3.4
309.18973	1.8
327.20001	100.0
328.20361	8.9
456.24298	38.0
457.18280	1.2
457.24640	4.9
488.19672	1.3
500.25998	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	500.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
88.83965	0.8
169.54611	0.7
181.67932	0.8
347.00662	0.8
464.18793	0.9
476.10739	0.9
492.59399	0.9
503.36920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.3
57.67854	1.7
58.68200	1.7
59.01384	29.3
59.30207	1.7
61.98522	4.0
61.98832	68.3
62.98199	1.7
65.68544	1.6
67.94415	1.6
71.01386	79.3
71.05022	4.5
71.48313	3.8
72.99300	3.8
73.02973	2.1
75.00887	2.9
78.30302	1.8
79.95724	2.0
81.07091	3.1
83.01389	2.7
83.05014	2.0
85.02946	5.5
87.00887	2.0
87.04512	10.1
89.02435	3.9
96.00967	1.7
96.96027	28.3
98.95585	2.0
99.00905	2.8
103.00352	2.3
107.05023	2.2
111.00882	18.9
111.04513	2.8
113.02427	4.1
115.00369	27.9
116.05065	71.3
121.06525	1.8
123.08167	26.1
127.59109	1.8
128.03488	2.0
133.01447	7.2
134.99104	1.9
143.19855	1.9
146.08231	3.0
162.98576	8.2
163.04051	1.8
164.98157	2.0
167.07146	21.6
171.10278	2.5
171.52275	1.7
173.00810	2.2
211.13379	10.6
225.11362	2.5
227.13002	2.1
235.61821	2.0
237.11327	5.6
239.49680	1.8
252.13916	9.1
255.12384	100.0
256.12704	6.1
277.12283	4.9
278.12500	3.7
323.99850	1.9
340.19037	4.1
384.18161	67.5
385.13861	2.1
385.18524	7.7
413.64801	2.1
414.15497	8.1
414.65543	3.0
418.69141	2.4
435.15988	6.6
435.65936	3.2
456.16315	3.7
500.09433	2.7
500.30984	2.2
501.23526	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	500.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.4
59.01381	23.8
61.98831	22.0
71.01387	73.8
71.05030	4.4
72.99334	2.5
75.00876	1.3
81.07119	4.0
83.01379	2.1
83.05054	1.5
85.02956	2.9
87.00874	1.3
87.04523	11.5
89.02443	1.5
96.96015	19.1
98.20726	2.1
99.00896	1.6
101.02431	1.7
107.05036	2.9
111.00885	14.7
111.04559	1.7
113.02429	1.4
113.06162	1.4
115.00375	26.7
115.01131	2.0
116.05067	72.7
117.05388	2.9
121.06634	1.6
122.16970	1.3
123.08173	29.9
133.01442	4.2
137.09772	1.5
167.07137	24.6
168.07512	1.5
171.10358	1.4
175.11342	1.7
177.00938	1.3
179.07248	1.3
181.00160	1.2
181.03304	1.5
182.10019	1.2
183.10144	1.3
194.09683	1.3
196.02547	1.8
211.13483	6.5
214.08765	1.5
237.11371	5.7
252.13947	5.9
255.12389	100.0
256.12750	8.3
264.10492	1.7
296.12909	3.4
335.09573	1.5
337.01480	1.4
384.18173	60.5
385.18408	8.4
413.65158	1.5
414.15552	7.4
435.16104	4.1
449.21085	1.5
456.65240	2.0
457.15424	1.9
501.23224	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	500.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97552	1.9
59.01381	27.6
61.98833	9.0
62.87653	1.1
71.01383	44.8
71.10706	2.2
72.99309	1.4
73.02920	1.2
74.02491	1.3
75.00869	4.6
76.58116	1.0
79.95722	1.0
81.95280	1.3
85.02948	2.9
89.02464	3.0
96.96012	6.2
97.02930	1.2
101.02441	3.1
105.03488	1.5
109.04084	1.6
113.02435	3.6
115.00381	43.1
116.05061	9.1
117.01917	3.9
127.05130	4.7
128.03548	1.6
133.01469	6.8
133.02966	4.0
145.06120	2.1
155.10655	1.2
161.02383	4.5
171.10284	2.6
177.01888	3.8
185.11836	1.5
190.19044	1.1
192.04230	1.4
201.59554	1.0
206.09665	1.9
207.06541	1.7
211.13394	2.6
222.09242	2.2
225.11310	3.5
227.12854	1.2
232.07661	1.6
234.09258	3.8
236.02551	1.2
250.08752	10.3
251.09062	1.4
260.07147	4.4
262.08698	4.5
277.07401	3.6
278.08218	75.2
279.08649	6.4
292.09796	10.2
293.10565	46.2
294.10910	4.2
308.12903	100.0
309.13242	9.0
320.41663	1.2
352.11990	4.0
379.29532	1.9
384.14514	56.7
385.09930	1.4
385.14673	6.2
413.65002	1.4
414.15491	1.4
435.15649	1.8
439.71561	2.2
441.29388	2.0
501.31760	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	500.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97552	1.9
59.01381	27.6
61.98833	9.0
62.87653	1.1
71.01383	44.8
71.10706	2.2
72.99309	1.4
73.02920	1.2
74.02491	1.3
75.00869	4.6
76.58116	1.0
79.95722	1.0
81.95280	1.3
85.02948	2.9
89.02464	3.0
96.96012	6.2
97.02930	1.2
101.02441	3.1
105.03488	1.5
109.04084	1.6
113.02435	3.6
115.00381	43.1
116.05061	9.1
117.01917	3.9
127.05130	4.7
128.03548	1.6
133.01469	6.8
133.02966	4.0
145.06120	2.1
155.10655	1.2
161.02383	4.5
171.10284	2.6
177.01888	3.8
185.11836	1.5
190.19044	1.1
192.04230	1.4
201.59554	1.0
206.09665	1.9
207.06541	1.7
211.13394	2.6
222.09242	2.2
225.11310	3.5
227.12854	1.2
232.07661	1.6
234.09258	3.8
236.02551	1.2
250.08752	10.3
251.09062	1.4
260.07147	4.4
262.08698	4.5
277.07401	3.6
278.08218	75.2
279.08649	6.4
292.09796	10.2
293.10565	46.2
294.10910	4.2
308.12903	100.0
309.13242	9.0
320.41663	1.2
352.11990	4.0
379.29532	1.9
384.14514	56.7
385.09930	1.4
385.14673	6.2
413.65002	1.4
414.15491	1.4
435.15649	1.8
439.71561	2.2
441.29388	2.0
501.31760	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	499.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14870	0.7
56.00245	0.7
58.52185	0.8
59.01384	85.6
71.50269	1.5
77.76195	0.7
78.95905	27.2
86.87542	0.7
93.22865	0.8
95.76653	0.8
96.96951	2.6
123.90354	0.7
128.03506	1.4
143.04590	1.5
150.98050	1.0
152.99600	45.8
171.00652	5.4
184.59846	0.7
209.11832	2.2
227.03276	11.2
236.93350	0.7
245.04266	5.4
271.22791	100.0
272.23135	6.9
306.07803	1.6
407.22192	1.1
455.16913	1.5
499.26785	80.7
500.27066	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37687	0.6
53.63549	0.6
59.01381	66.9
59.62936	0.6
61.32788	0.7
65.79579	0.6
71.31979	0.9
78.95907	9.3
152.99600	10.2
171.00627	3.1
194.15160	0.6
215.43242	0.8
225.22107	0.8
227.03242	1.9
245.04343	6.4
271.22784	100.0
272.23096	7.3
499.26794	28.7
500.27393	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2917
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
57.06236	1.1
57.97556	1.5
58.00598	1.0
59.01383	49.9
61.98822	4.4
67.80639	1.0
69.03422	0.9
70.51301	3.2
71.01389	28.5
72.99303	2.6
73.02950	18.1
75.00848	1.0
83.01384	8.0
85.02956	6.6
87.00883	3.8
89.02471	5.8
95.01347	1.6
96.96012	1.5
97.02939	1.4
99.00843	1.6
101.02454	18.9
110.20355	0.9
111.27573	0.9
113.02452	7.0
114.05609	1.1
119.03506	2.6
128.88432	1.0
131.03534	1.1
143.03563	1.2
154.99828	2.0
161.04518	1.1
161.77873	0.9
164.46732	0.9
172.00186	1.0
173.00923	3.2
183.13957	1.0
202.07112	0.9
223.17082	2.9
247.20813	1.1
252.68846	1.0
277.21698	13.1
278.22327	1.3
291.19833	1.2
295.22818	7.6
309.20557	1.3
383.24225	1.6
398.37210	1.2
439.26923	13.7
440.27289	1.9
457.28064	35.4
458.28543	3.5
492.22864	1.1
492.30161	1.0
499.29190	100.0
500.22916	1.3
500.29620	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	499.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34575	4.6
59.01381	20.8
60.66901	4.8
63.71454	5.5
69.49296	40.4
71.01388	20.8
73.02950	16.6
88.32940	4.7
89.02477	6.8
98.20650	7.9
113.02439	10.4
121.43539	5.5
125.69334	5.2
143.37949	4.5
167.86549	4.8
176.48340	4.8
271.22720	8.0
273.22101	7.7
277.21735	100.0
278.21912	8.7
291.23303	56.4
292.23627	9.3
319.22803	16.2
393.25964	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	499.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.0
59.01382	84.0
61.98835	33.4
68.99805	11.0
69.48048	19.8
71.01385	22.1
73.02946	8.7
78.95868	3.3
79.95722	8.9
83.01344	5.3
85.02925	11.8
89.02417	8.1
96.96016	100.0
96.96931	4.2
96.99273	7.2
99.00871	8.1
101.02448	14.3
101.03091	1.9
103.00344	4.6
109.01661	7.4
110.02473	4.6
111.82448	2.6
113.01185	5.0
113.02418	7.7
121.02942	9.2
127.05096	6.2
128.03522	3.2
141.60542	2.7
142.17926	2.4
145.06166	5.2
155.10757	4.1
161.04451	4.4
164.98546	3.0
173.03271	5.9
187.07234	3.4
191.73842	2.9
197.08032	3.3
199.09694	3.1
225.11226	5.4
227.12801	5.3
235.16948	4.5
241.00230	2.9
263.16559	16.0
381.22693	3.2
401.09253	3.1
412.63986	8.3
413.14502	30.3
413.21356	4.7
413.64890	5.7
433.64340	6.4
434.15237	20.8
434.65134	10.7
439.22955	9.4
455.02478	3.6
455.16177	6.3
455.22763	45.7
455.64478	4.8
456.14639	13.3
456.23093	4.9
456.64914	7.1
477.15121	11.6
498.24930	3.1
499.25027	94.2
500.25659	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	499.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83227	2.4
59.01384	48.6
59.65608	2.4
61.98838	27.6
68.99808	13.6
70.00140	2.4
70.73461	6.5
71.01379	20.9
71.44597	2.5
73.02950	9.1
78.95953	3.4
83.01382	5.3
85.02950	9.7
89.02441	3.7
91.84018	2.3
94.54528	2.7
95.95236	3.4
96.96012	25.8
96.99323	3.6
99.00907	4.8
101.02444	11.6
109.01705	10.1
113.01207	4.5
113.02443	7.2
121.02919	5.0
125.09664	3.1
128.87000	2.3
136.79892	2.8
143.07095	3.0
152.03307	2.4
155.10770	4.5
162.72556	2.7
171.10266	2.9
173.03236	7.2
176.72765	2.1
183.13947	2.4
211.93869	2.6
225.11284	4.9
235.16948	10.5
263.16519	9.3
395.20789	4.1
401.08578	2.9
413.14630	4.8
413.21967	8.1
434.15518	4.5
439.23386	9.5
455.16434	4.3
455.22864	61.6
456.15048	4.5
456.23212	7.0
481.24484	3.0
499.25278	100.0
500.25351	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	499.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
56.30864	0.4
57.03448	11.8
59.01379	7.1
61.98824	1.4
63.98792	0.4
67.01145	0.4
68.51561	0.3
68.72407	0.4
68.99810	0.6
70.12064	0.4
70.84149	0.9
71.01385	7.4
72.04561	0.4
72.99292	1.7
73.02941	1.2
74.02465	0.4
75.00861	2.8
79.95785	0.4
82.02972	1.1
83.01412	3.2
83.01847	0.5
84.02170	2.5
84.04546	0.6
85.02953	100.0
86.03282	1.5
87.00857	1.1
89.02432	1.2
94.18876	0.4
96.96019	6.1
97.06607	0.9
99.00907	0.6
99.48416	0.4
101.02447	2.0
103.00377	2.4
109.04074	1.6
111.00901	4.9
113.02448	0.9
115.00386	1.4
118.24051	0.4
127.05139	11.1
128.03551	6.3
129.01939	7.5
133.01407	0.8
133.02950	1.9
134.03766	2.3
135.04503	1.3
137.02432	1.4
145.01440	0.6
145.06190	3.7
147.03003	14.2
152.33702	0.4
156.13933	2.5
160.01573	0.5
160.39568	0.4
161.02429	1.8
163.02451	0.8
172.56824	0.4
173.00911	2.1
174.15546	0.4
177.01991	0.7
178.02748	2.4
179.03490	1.5
184.13475	1.1
191.01978	35.9
192.02359	1.2
204.96503	0.4
223.18185	0.6
228.03767	0.4
233.16533	0.6
251.17625	3.1
254.21040	0.4
255.02928	1.5
256.03262	0.8
261.93863	0.4
263.16415	0.5
267.07129	1.6
269.18716	0.8
270.79382	0.4
283.02499	2.8
284.02896	1.8
285.04001	5.8
286.04337	2.4
287.04709	0.6
293.22195	0.6
298.18622	0.4
299.01810	0.6
353.23584	0.6
376.58243	2.9
377.08624	3.9
377.58487	1.1
384.07483	1.0
413.14774	5.4
450.11371	1.8
450.61075	0.8
451.11224	0.7
455.15878	1.9
469.12991	0.5
479.54443	0.5
481.29257	2.2
499.14740	2.8
499.30243	40.0
500.30624	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	496.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84464	0.2
55.43170	0.2
57.18085	0.3
59.01390	0.5
61.98834	100.0
69.96487	1.2
79.95782	0.3
96.96023	1.2
106.92533	0.3
216.13234	0.2
329.50882	0.3
336.63452	0.3
410.15723	0.9
419.85977	0.3
448.71158	0.2
452.16696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.9
61.98828	2.1
69.46966	1.3
70.65533	3.0
71.05027	7.1
78.95889	7.6
83.05020	2.4
89.35866	1.2
108.02203	1.4
152.99626	8.2
171.98355	3.5
197.19127	16.8
223.20673	5.6
225.22255	21.5
227.03255	2.1
245.04260	1.4
251.20149	3.5
269.21237	100.0
270.21600	8.4
444.15570	1.4
497.17676	2.9
497.25125	22.3
498.25220	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	497.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68567	3.7
53.51686	3.9
59.01394	5.1
68.53266	3.9
71.01389	4.1
71.60241	4.0
78.95877	4.3
111.00865	8.4
111.11222	3.7
115.84194	3.9
152.99524	3.9
159.03029	5.7
171.00655	6.1
199.05754	4.8
208.98651	3.7
277.21735	100.0
331.22845	5.8
371.25552	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	498.25
Annotation	Malycorin B
Peak:m/z	Relative Intensity
53.85887	0.7
54.02616	0.6
57.03446	1.8
59.01377	7.7
61.98834	71.9
65.24418	0.7
66.03497	0.8
68.99825	15.2
70.62732	2.3
71.01395	3.6
73.02965	0.9
78.95907	2.6
79.43433	0.7
82.03012	1.2
83.00139	3.1
83.01391	1.5
83.05025	1.5
85.02957	1.3
86.02489	0.9
89.02440	1.3
94.02954	0.8
96.96027	6.9
96.96970	2.0
96.99337	5.8
97.06599	0.8
99.00894	4.3
101.02457	1.2
109.01704	12.4
110.02485	4.7
112.00449	1.5
113.01200	5.5
114.01962	2.1
115.00378	1.5
116.05060	0.8
121.02969	3.1
121.17252	0.7
122.02457	1.9
124.00413	1.8
126.02001	2.0
128.03526	1.2
132.26700	0.7
135.03284	1.4
173.03320	9.2
174.04121	1.0
186.04089	1.6
215.11710	0.8
216.06639	1.4
242.08063	0.9
251.08098	0.9
276.08725	1.0
401.08786	2.3
410.23386	1.6
412.14008	1.1
413.15161	1.1
434.14993	0.9
438.22931	11.0
455.22842	2.6
498.25003	100.0
499.25256	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	496.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75186	0.2
59.01385	0.4
61.98836	100.0
62.98535	0.2
69.59296	0.9
71.01413	0.3
79.61375	0.2
96.03230	0.1
96.96019	1.9
98.95617	0.2
99.04174	0.2
104.21570	0.1
115.00397	0.3
123.34280	0.1
173.74551	0.2
195.94800	0.2
241.00352	0.7
242.00504	0.2
263.77777	0.2
274.05038	0.1
283.01535	0.2
397.61737	0.2
410.11737	0.3
447.06680	0.2
452.13165	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37471	0.3
58.97389	0.3
59.01382	1.6
61.98833	100.0
63.86682	0.3
63.96243	2.5
71.01383	0.7
79.95737	0.8
95.95255	0.7
96.96017	4.8
97.02505	0.3
119.78331	0.3
131.37279	0.3
171.10307	0.9
193.54269	0.3
249.15182	0.4
277.95950	2.0
385.03622	0.4
403.24725	0.4
409.15530	0.4
410.15762	1.3
421.25925	0.8
437.25482	0.4
452.16623	0.4
455.26288	0.4
495.29742	0.6
496.16205	0.6
496.30826	0.6
497.27838	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40617	0.3
54.88356	0.3
59.01382	7.2
61.13010	0.3
61.98835	100.0
62.61599	0.3
70.62324	0.7
70.62660	0.3
71.01385	2.1
73.02948	0.7
74.99104	1.5
78.60716	0.3
83.01363	0.4
87.00873	0.3
89.02467	1.1
91.55794	0.3
96.96022	1.5
99.92605	1.1
101.02460	1.5
113.02489	0.7
113.31377	0.3
115.00390	1.1
115.92115	0.5
116.05135	0.4
116.92882	0.8
117.07133	0.8
118.07494	0.4
159.72565	0.4
174.40736	0.3
175.02480	2.2
176.02162	0.5
225.05054	0.3
261.70065	0.3
282.99890	0.5
437.26117	0.3
455.26431	0.5
461.67743	0.3
495.21753	0.4
496.21933	1.4
511.50220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59317	0.5
59.01381	14.8
61.98834	66.6
69.57800	0.5
71.01385	1.4
71.15829	1.3
77.18079	0.6
78.95906	0.5
79.95742	13.5
80.22857	0.5
80.96521	2.3
89.02470	0.8
95.95242	13.4
95.95835	0.5
96.96016	95.9
101.02454	1.7
103.00376	10.5
116.75504	0.6
122.97628	0.6
138.97127	0.8
143.04834	0.6
152.98631	3.6
164.98630	2.2
180.98160	1.4
186.89841	0.6
225.00726	3.2
225.11272	0.7
241.00224	4.4
256.99728	10.5
299.00723	1.1
391.14279	1.3
409.15378	100.0
410.15649	9.6
451.16452	41.2
452.16727	2.8
477.13904	1.7
495.15421	24.5
496.15729	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	495.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01477	0.9
58.89979	0.9
59.01374	3.3
59.03458	0.9
61.98833	100.0
62.24552	0.9
71.01400	1.4
71.60436	0.9
71.97681	0.9
79.95754	1.2
86.43111	1.0
96.96021	8.5
103.27275	0.9
314.14145	2.0
409.15445	7.3
451.16351	3.6
495.15247	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2966
Annotation	Turkesterone
Peak:m/z	Relative Intensity
57.03453	1.9
57.34666	1.7
59.01375	9.5
59.82521	1.6
61.98822	9.4
69.66593	12.0
71.01370	2.2
71.83976	1.8
83.05037	8.4
85.06599	2.3
89.02440	2.5
91.05580	2.2
95.95210	2.0
96.96021	14.6
97.06598	6.3
98.19901	3.2
109.06591	2.8
111.08145	4.9
123.08218	3.0
125.09737	18.4
152.99516	2.4
164.12947	1.9
166.52646	2.6
171.10280	24.3
185.11928	2.3
189.16522	2.8
205.15999	5.8
206.77574	2.0
209.11815	4.5
211.13408	16.9
215.14355	9.8
221.15448	4.2
231.13832	5.2
233.15466	95.5
234.15804	6.0
249.14964	19.7
251.16547	4.1
251.39294	1.9
256.99707	2.0
270.59451	1.6
283.18802	1.9
331.26328	6.0
341.24838	5.2
359.25931	3.1
367.22806	3.3
375.25372	5.2
377.26944	3.3
385.23770	28.5
386.24319	3.4
393.26492	4.4
403.24908	70.1
404.25299	8.2
409.15375	10.1
421.25980	48.7
421.31393	3.4
422.26584	8.7
451.16483	6.6
477.28568	100.0
478.28793	14.6
495.15442	3.2
495.29697	74.1
496.30206	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	494.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	5.2
67.54876	1.3
69.85595	6.9
76.97620	1.4
78.95905	45.7
88.02579	1.8
96.96972	4.8
111.29999	1.5
122.76083	1.4
139.83463	1.5
152.99599	100.0
153.99982	1.5
171.00624	3.8
179.03418	1.5
233.09833	1.6
290.21036	1.4
376.28467	3.1
431.22009	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84784	1.6
59.01391	14.4
61.98834	6.0
62.26921	1.2
69.49664	6.7
71.01390	4.3
73.02986	1.3
78.66515	1.3
79.95745	42.6
80.96530	1.3
85.02931	1.4
95.95235	15.2
96.96020	84.5
100.64498	1.1
101.02469	1.7
103.00397	10.0
123.01111	1.1
134.97592	1.4
150.97098	8.1
152.98643	3.7
163.66971	1.4
164.98654	2.3
171.10339	2.2
194.99799	2.3
200.88670	1.2
207.65453	1.2
225.29315	1.3
233.15508	2.0
241.00238	3.7
256.99811	3.2
265.51761	1.3
285.46362	1.2
360.60406	1.2
403.24838	2.9
409.15393	100.0
410.15796	6.5
421.26071	2.1
442.46414	1.4
451.16476	40.8
452.16629	3.9
477.14243	1.3
477.28766	1.6
495.15396	31.9
495.29666	2.1
496.15445	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	494.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78058	0.9
59.01384	7.2
61.98833	100.0
69.27598	5.1
69.28031	2.7
71.01386	5.2
76.30330	0.9
78.95899	0.9
85.02950	1.4
96.96000	3.4
98.95626	1.1
101.02448	1.1
103.04014	1.3
115.00404	2.3
130.80763	0.8
133.01405	1.6
133.02962	2.1
134.03735	3.6
134.04674	1.0
151.44943	0.7
169.25630	0.9
171.10249	1.0
177.01903	1.1
177.11992	1.0
178.02686	2.9
179.03534	0.9
183.10246	1.6
192.51018	0.8
256.99869	1.3
285.03973	0.9
293.10318	1.3
299.13086	1.1
302.38177	0.9
317.13940	3.7
327.21707	1.2
331.25021	1.5
346.11978	1.0
361.12839	1.0
378.08310	1.1
493.29919	4.9
494.30386	5.6
495.18378	2.0
495.24725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33052	1.2
52.70610	1.2
58.02993	8.1
61.98820	1.9
62.91404	1.1
71.01367	2.7
71.36782	2.1
74.02084	1.4
74.02480	17.9
79.95761	1.8
82.03012	1.6
86.02474	7.8
86.99116	2.2
87.05643	3.5
90.00210	3.3
96.96015	6.3
97.04089	2.0
99.05648	15.8
101.07220	2.4
102.05652	1.6
109.47433	1.3
112.04041	3.5
118.79614	1.2
123.05605	1.9
125.03551	2.1
127.05127	3.9
128.03549	41.6
131.04596	1.5
133.01419	1.8
134.03751	1.8
135.04546	2.3
135.05650	4.2
141.06680	2.3
143.04634	58.5
145.06213	2.6
146.04602	4.6
153.06703	2.5
155.08224	1.7
160.00739	13.8
166.09833	1.5
167.04620	5.4
167.08272	2.7
177.03397	5.5
179.04703	9.4
179.40274	1.3
181.06261	1.7
185.05693	1.5
197.05650	1.7
198.08862	2.1
210.08841	11.7
242.07700	2.0
254.07855	13.4
256.99750	2.2
272.08902	22.7
273.09064	1.6
288.06689	8.9
300.12384	1.8
306.07669	100.0
307.08133	6.4
307.11456	1.3
317.26385	1.4
450.10944	1.4
495.13068	1.2
495.19049	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03628	1.0
65.97379	1.0
69.03460	2.3
73.02933	1.4
81.03456	1.1
82.07513	1.0
88.03091	1.1
91.02111	1.0
95.05025	24.9
97.06593	100.0
97.22092	1.0
98.06887	3.1
98.20664	2.5
115.07664	7.0
116.30898	1.1
141.05547	5.1
152.99619	2.3
159.06633	31.3
160.07008	1.5
215.09239	16.7
233.10295	20.1
277.21725	43.2
277.24731	2.4
278.22141	3.7
289.89850	1.4
341.81259	1.2
493.31961	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	493.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65548	1.0
57.03450	4.8
57.58997	1.0
61.98834	1.9
70.03207	2.4
70.03593	2.9
87.86667	1.2
97.06599	11.7
115.40165	1.2
123.08201	7.2
124.30336	1.1
125.09734	100.0
126.10078	3.7
143.10764	1.3
152.99553	1.5
154.52312	1.4
169.08717	2.3
180.68047	1.2
187.09766	40.8
188.10127	1.5
188.87581	1.3
215.63933	1.3
243.12366	19.8
244.12683	1.2
249.18605	50.0
250.02988	1.2
250.18964	5.1
261.10635	1.5
261.13428	29.5
330.93854	1.2
333.20541	1.1
493.31870	10.3
494.31815	1.3
509.10587	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03434	1.3
57.97551	0.8
58.00590	0.8
59.01101	0.9
59.01383	14.7
61.98830	4.9
69.03476	0.4
69.53712	3.8
71.01387	14.5
71.05020	0.6
72.99294	1.8
73.02937	1.5
80.71966	0.5
83.01373	1.6
85.02944	4.0
89.02444	5.4
95.01411	0.9
96.96011	1.7
99.92568	0.7
101.02449	6.8
107.96124	0.5
111.06429	0.5
113.02460	3.2
115.00360	1.7
116.92847	2.1
117.75212	0.5
117.92866	1.7
118.92673	1.8
119.03516	2.0
127.11267	0.9
133.01472	1.5
134.03745	1.7
135.04503	1.3
155.10814	1.0
157.12340	1.0
171.10240	2.3
178.02744	1.2
179.03482	1.4
237.18649	0.8
275.09317	0.7
276.09570	0.6
282.79639	0.7
293.10297	1.5
295.22766	2.5
297.03961	0.7
311.22208	0.7
313.23856	11.1
314.24521	0.7
329.23285	2.4
331.24896	28.4
332.25198	2.7
378.08157	1.3
405.23773	0.7
449.22662	0.8
475.29309	0.6
493.30197	100.0
494.30542	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	491.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03460	0.2
58.00602	0.2
59.01381	5.0
61.02965	0.1
61.98838	0.1
65.77744	0.2
70.62180	0.3
71.01382	4.3
71.44816	0.1
72.99339	0.2
73.02949	0.9
78.95924	0.1
80.13585	0.1
83.01388	0.6
85.02961	1.2
85.26217	0.1
87.00869	0.7
89.02447	3.3
91.04030	0.3
95.01400	0.3
99.00867	0.2
101.02448	3.8
113.02448	2.1
115.04045	0.2
119.03523	1.0
122.71645	0.2
125.02435	0.3
133.05040	0.4
143.03497	0.4
152.99599	0.2
161.04541	1.4
179.05586	0.7
183.21251	0.1
203.87614	0.1
235.08261	1.4
253.09291	13.4
254.09618	0.6
255.23291	100.0
256.23624	8.6
292.55704	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	493.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52119	0.3
53.24400	0.3
54.61026	0.3
55.01886	0.5
57.03446	0.8
58.00581	0.7
59.01384	13.1
61.98831	2.6
62.45904	0.3
69.61530	2.2
71.01389	10.6
72.99303	1.3
73.02950	1.8
79.95709	0.4
83.01394	1.5
85.02964	3.2
87.00880	0.7
89.02450	5.6
95.01399	0.8
96.95985	0.7
101.02451	6.6
101.92375	0.4
103.00392	0.6
111.00859	0.4
113.02462	3.4
113.09761	0.3
115.00407	0.4
116.92859	0.5
117.92864	0.6
119.03519	1.8
125.09686	0.4
127.11298	0.8
133.01384	0.5
133.02913	0.6
134.03728	0.8
135.04559	0.6
136.07669	0.6
143.03481	0.3
143.10779	0.5
155.10783	1.2
157.12372	1.3
161.02457	0.9
171.10313	2.0
185.11801	0.4
201.11337	0.6
204.09471	0.4
257.73996	0.4
293.10239	0.6
295.22781	1.9
311.22293	0.7
313.23853	11.6
314.24164	1.0
329.23526	2.5
330.23630	0.4
331.24908	29.5
332.25269	2.0
378.07651	0.5
434.30249	0.3
475.28952	0.4
493.30212	100.0
494.30554	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	491.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98814	2.0
66.41853	0.7
71.01388	9.6
71.60287	1.2
72.99303	1.4
73.02946	2.2
74.02489	1.1
79.95734	3.9
83.01382	2.3
85.02947	3.0
86.11176	0.9
87.00861	1.6
89.02446	1.7
95.95198	3.2
96.96014	25.6
98.95591	1.0
99.05621	1.4
99.92584	3.4
101.02450	5.1
103.00352	0.9
106.06628	2.8
110.02444	1.0
113.02440	3.1
115.00343	2.1
115.92098	1.8
116.92870	10.2
122.06120	3.4
128.03484	2.8
132.82408	0.8
133.01431	3.1
133.02922	3.2
134.03714	3.1
135.04564	4.8
143.04605	4.3
149.02361	1.0
161.02414	2.6
161.04564	1.2
164.98601	1.3
171.10257	1.2
178.02699	1.4
179.03453	3.6
193.12291	1.1
195.10208	1.1
198.12846	1.8
211.13303	1.9
214.12323	1.9
219.04802	3.6
225.10291	1.2
226.11115	1.6
241.00243	2.3
241.13481	10.6
242.13779	1.3
253.09344	1.4
254.07913	1.8
255.03040	5.0
256.99661	2.0
258.00299	1.2
267.11395	1.4
272.08749	3.0
283.02466	8.6
284.03052	2.5
285.04022	4.6
285.12503	4.8
303.21640	1.1
306.07623	1.3
329.11429	17.3
330.11612	1.1
342.99655	2.2
343.99969	3.4
371.20673	2.3
376.07950	4.4
376.58420	2.8
377.08563	2.4
389.21802	5.9
405.08624	3.6
417.08423	2.1
424.60788	2.0
425.11545	1.7
431.22827	1.3
442.42206	1.0
442.60474	7.4
443.10574	2.5
443.61108	1.0
444.72327	0.9
447.09555	1.7
449.14975	4.8
491.02280	1.3
491.09244	2.0
491.16092	4.1
491.21530	2.5
491.28159	1.8
492.31891	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64315	1.0
59.01382	21.4
61.98825	4.2
67.42051	0.9
69.03461	11.2
69.53082	7.8
71.01379	7.1
72.99303	1.1
73.02952	2.3
74.02487	1.4
77.10706	1.0
79.95708	1.3
83.04982	1.2
87.00870	1.5
89.02439	5.1
95.25803	0.9
96.96012	2.1
97.06578	1.6
99.00897	1.4
99.05635	2.1
99.92587	3.2
101.02442	6.4
107.05103	1.0
113.02481	1.0
115.00353	2.7
115.92057	1.4
116.92869	5.2
119.03522	2.1
128.03540	4.4
133.01442	2.1
133.02942	1.2
135.04581	1.6
143.04604	2.2
149.09773	1.3
151.11263	9.9
153.06937	1.2
159.08257	1.2
160.00935	1.7
160.02261	12.3
161.04507	1.8
167.10809	2.0
175.01831	1.4
177.09212	22.1
178.02722	1.4
178.09576	1.8
187.03355	9.5
187.07687	2.6
195.10274	100.0
196.10559	6.1
198.93336	1.7
212.45862	1.0
215.07117	2.9
225.11363	1.0
227.03337	2.0
245.00226	1.0
253.09305	21.0
255.03050	4.8
257.08078	1.5
272.08859	1.5
283.02493	7.1
284.02884	2.0
285.04031	5.4
304.06125	12.0
305.10367	1.5
306.07693	1.3
308.15738	1.0
376.08194	1.6
417.08130	3.0
424.61295	4.7
425.11420	1.8
431.19214	7.3
442.60559	2.0
443.10742	1.7
491.14401	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49094	0.2
55.01871	0.3
58.00604	0.2
59.01379	4.1
61.27671	0.2
61.98841	0.8
68.26363	0.2
68.90565	0.2
69.38799	1.6
71.01383	3.7
72.99305	0.3
73.02950	1.0
78.77589	0.2
78.95895	0.3
83.01405	0.4
85.02948	0.7
87.00872	0.5
89.02449	3.0
91.03990	0.3
97.02921	0.2
101.02451	3.6
102.96328	0.2
113.02445	1.8
119.03497	0.7
133.05063	0.4
143.03548	0.4
152.99634	0.5
161.04535	1.4
166.94554	0.2
179.05577	0.7
235.08199	1.1
253.09317	12.6
253.21721	100.0
254.09636	0.7
254.22058	8.6
279.26981	0.3
295.58691	0.2
350.80829	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	5.7
59.01379	12.3
60.76553	0.9
61.98827	2.1
69.34642	7.6
71.01380	4.1
73.02955	1.1
74.02477	15.9
75.00883	1.2
79.95737	8.4
80.96528	1.2
82.03003	1.1
84.04536	0.8
86.02477	5.6
86.06122	1.0
87.05634	3.4
95.95222	3.6
96.96015	45.3
97.04061	1.9
98.20689	1.9
99.05649	11.8
101.02448	1.9
101.07189	1.9
102.05606	1.6
103.00366	1.9
104.22702	0.8
109.04064	1.9
112.04044	1.9
115.00374	1.9
116.01717	1.1
125.03559	2.0
127.05122	2.5
128.03543	33.2
129.03969	0.9
133.01414	0.9
135.04518	2.5
135.05644	3.3
139.11316	1.7
141.06708	2.3
143.04628	51.6
145.06200	2.6
146.04622	4.3
150.97055	1.0
153.06723	4.3
155.08389	1.0
160.00734	13.3
164.98633	2.0
166.09865	1.7
167.04611	2.8
167.08214	2.0
171.04057	1.2
177.03398	4.7
179.03378	1.1
179.04655	10.0
181.06140	2.2
184.11005	0.9
185.05754	1.4
195.10254	4.8
197.05750	1.9
210.08804	9.0
225.00763	1.5
227.41211	0.9
238.98648	1.4
241.00005	0.9
242.07736	1.7
254.07838	14.8
256.99747	8.1
268.07037	1.2
272.08899	24.3
280.06976	1.5
288.06647	6.6
299.00784	3.7
306.07645	100.0
307.07916	3.8
342.10498	2.4
342.99692	10.2
343.06812	1.2
344.11160	1.9
354.10699	4.2
356.11093	2.7
374.12149	2.8
375.20047	1.5
449.14865	18.9
491.15866	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57116	0.4
59.01385	100.0
60.01709	0.9
70.78685	1.1
71.01389	4.3
73.02961	1.9
85.02957	1.0
89.02457	1.3
96.96035	1.7
101.02457	2.1
113.02464	1.2
115.00391	1.2
119.03463	0.4
133.01422	2.2
134.03862	0.5
135.04523	2.1
137.02510	0.6
140.13733	0.5
161.04602	1.6
179.03409	1.0
193.05145	0.7
255.03116	0.4
285.04001	0.4
369.19260	0.9
373.09351	1.1
387.20276	5.0
429.21353	2.1
445.08154	0.6
453.15643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94069	0.4
57.03450	0.9
59.01384	10.6
61.98827	1.1
69.03424	0.5
71.01384	13.2
71.04996	0.9
71.60963	0.8
73.02941	2.3
79.95756	0.9
83.01392	0.6
85.02953	1.4
87.00849	0.6
87.04490	0.5
89.02431	1.4
95.05065	0.6
96.96033	5.8
97.06600	1.0
101.02470	2.5
109.02911	0.5
113.02439	1.6
114.93401	1.0
115.00374	10.3
121.10239	0.8
123.08166	1.2
125.09718	1.6
126.34564	0.5
127.05129	1.2
129.24283	0.4
133.01450	2.4
137.09691	0.8
139.11279	0.7
141.12903	0.5
144.57529	0.5
155.10742	0.8
157.12312	0.9
161.04633	0.8
161.06047	0.7
167.17302	0.5
169.12315	0.9
171.10297	2.5
179.10692	0.5
185.11821	1.9
201.11343	1.1
215.12869	5.8
229.14417	0.6
231.10100	0.5
237.18665	0.5
241.00278	1.2
267.19785	0.6
275.09381	0.8
285.15048	0.9
313.23737	1.2
325.23938	0.9
327.21765	3.4
327.25153	0.6
341.23315	0.6
343.24841	7.7
344.25308	0.7
355.24771	1.9
371.24219	1.3
373.25934	100.0
374.26300	12.1
374.30170	0.3
388.96048	0.5
403.07019	1.5
429.24744	0.5
445.08096	1.5
447.26117	0.7
489.26968	10.3
489.34418	3.4
490.27371	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73682	4.6
61.98834	100.0
76.09345	4.4
78.95902	20.2
89.61639	5.0
104.11832	3.9
125.04494	3.9
152.99588	31.9
171.00661	4.2
253.09454	4.9
253.21721	15.4
267.22754	5.4
431.21655	7.8
456.21027	5.3
489.18271	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	488.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46584	0.5
57.04485	0.5
59.01377	3.2
61.98835	100.0
69.35299	5.3
71.01385	1.1
87.00974	0.7
88.98844	1.1
89.02463	1.7
101.02471	1.0
113.02475	0.6
143.30608	0.6
149.35278	0.7
234.19484	0.9
251.20164	20.3
252.20514	32.5
253.09273	3.9
253.20900	1.8
254.09682	2.0
458.40805	0.6
469.65836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01924	0.7
57.03457	0.7
59.01383	100.0
60.01715	0.8
61.98838	2.6
69.32998	5.7
71.01388	10.3
72.99327	0.6
73.02945	3.5
75.45667	0.6
83.01388	1.5
83.25231	0.6
85.02959	3.7
89.02480	2.2
90.66405	0.6
95.01453	0.8
96.95999	3.1
97.02946	0.6
98.20618	1.6
98.50641	0.6
99.00909	1.3
101.02467	5.4
113.02467	3.7
114.93421	0.7
115.00387	4.1
119.03544	0.9
121.02965	13.2
121.97469	0.6
125.02449	0.7
129.35854	0.6
133.01453	6.0
134.03806	1.2
135.04546	6.8
136.01651	7.4
136.37750	0.6
143.03610	0.7
151.04013	10.2
159.03093	0.8
161.02489	1.0
161.04567	4.6
163.11299	1.2
175.02522	1.3
179.03485	3.7
179.05717	1.1
189.12846	0.8
193.04984	0.7
203.05675	2.4
207.13869	2.9
225.15024	4.7
250.94035	0.6
288.48901	0.6
327.12363	15.5
328.12842	1.1
340.04449	0.7
369.19382	1.9
373.09375	1.3
373.13864	1.1
387.20306	4.1
392.77798	0.7
403.12662	0.9
429.21207	4.0
438.95547	0.6
482.84708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92722	1.1
59.01373	4.6
61.98521	2.7
61.98835	53.6
69.34085	2.9
69.34489	8.4
71.01383	3.1
73.02956	1.3
75.80970	1.1
78.95930	1.3
83.53799	1.4
89.02472	1.4
89.60088	1.3
96.43945	1.2
98.20672	3.0
101.02454	2.2
103.55325	1.2
104.45965	1.3
108.43796	1.1
113.02403	1.2
113.06893	1.1
118.63384	1.3
138.09709	1.3
152.99603	1.4
238.97310	1.6
253.09291	12.8
253.21736	100.0
297.71997	1.4
332.27997	1.2
361.96609	1.3
394.02289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.2
61.98520	6.2
61.98834	100.0
63.55585	3.0
70.51649	3.7
70.51984	8.1
98.75320	3.5
135.62575	3.0
152.99620	5.3
153.26157	3.1
154.84958	3.3
263.37540	3.1
326.46359	3.1
378.43509	2.9
405.99329	3.1
415.51257	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
56.89608	0.2
57.03443	0.2
58.00602	0.3
59.01096	0.4
59.01383	5.4
59.01823	0.2
61.58116	0.2
61.98811	0.5
69.97659	0.9
71.01387	4.3
71.03875	0.2
72.99314	0.4
73.02949	0.7
74.95698	0.2
75.00886	0.3
78.95914	0.5
83.01400	0.6
83.05013	0.2
85.02975	1.0
87.00860	0.6
89.02451	3.4
91.04027	0.2
95.01391	0.4
98.20551	0.2
99.00870	0.2
101.02452	3.6
113.02437	1.5
119.03510	0.9
133.05060	0.5
140.06009	0.2
143.03481	0.5
161.04584	1.7
179.05585	0.6
180.31944	0.2
233.19118	0.9
235.08243	0.9
251.20166	100.0
252.20499	8.2
253.09283	12.9
254.09685	0.6
277.21637	1.4
278.91605	0.2
356.59784	0.2
376.85178	0.2
381.69531	0.2
469.33362	0.3
487.34247	2.0
488.27753	0.6
488.34695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
58.02968	0.7
59.01091	0.6
59.01381	8.1
61.98834	0.9
66.03470	0.6
67.09769	0.4
69.89957	2.5
71.01373	1.5
71.01734	0.5
72.04537	1.0
73.02922	0.8
73.41128	0.5
74.02492	0.8
78.96938	0.4
79.95747	1.0
80.96517	0.5
82.03008	2.3
83.01393	0.4
83.06158	0.8
84.04553	1.6
85.02948	0.4
89.49415	0.5
96.95422	0.5
96.96015	8.8
98.95592	9.3
98.96450	1.6
101.02454	1.4
101.07211	1.0
103.00388	1.8
107.02505	0.8
109.04088	4.0
111.08161	0.8
113.02442	0.7
127.05143	32.8
127.11302	0.5
128.03555	7.8
128.05478	0.7
133.01385	0.5
137.09750	0.9
139.08754	0.8
145.06194	9.0
153.09285	0.5
156.13948	5.1
156.15193	0.7
166.12349	0.9
170.15538	0.5
180.98024	0.4
184.13400	2.2
223.18137	1.7
251.17636	1.7
292.22849	1.1
294.24353	3.5
312.25516	1.4
313.23788	1.0
337.28760	0.5
338.27060	0.7
359.27774	1.5
361.28467	1.3
377.27881	3.3
379.29666	12.5
380.29993	1.3
399.13235	1.2
400.13626	1.1
401.13358	14.5
402.13708	0.9
407.32870	1.1
423.32175	1.0
425.33923	4.0
443.14337	6.7
469.32788	6.9
470.32617	0.9
487.14133	4.4
487.33899	100.0
488.34259	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	487.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
57.83421	0.6
59.01384	24.3
61.90942	0.5
61.98834	1.1
69.90784	3.1
69.91442	0.5
71.01384	4.3
73.02962	2.0
79.95739	6.1
80.96513	3.3
83.01375	0.8
85.02942	1.6
87.00885	0.7
89.02448	0.7
96.96019	100.0
101.02426	3.2
103.00385	8.9
111.59682	0.6
113.02435	0.8
133.01421	1.4
135.04546	2.3
145.28209	0.6
155.27531	0.7
155.52704	0.6
164.98621	3.7
179.10797	0.8
180.98174	2.0
223.13486	1.6
241.00262	3.8
267.06412	1.1
326.10498	0.7
341.10309	0.8
353.10300	1.8
383.13818	2.1
401.14877	96.5
402.08652	4.0
402.15179	7.7
443.15939	37.2
444.09793	1.6
444.16235	2.8
469.13785	1.1
487.14911	30.5
488.08905	0.8
488.15396	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	487.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08582	0.7
51.73735	0.7
58.02983	8.6
59.01379	8.7
69.60359	0.6
69.60693	5.0
71.01395	5.1
72.00927	0.9
73.02969	1.0
73.04056	1.5
74.02482	3.8
82.02984	1.1
84.00920	3.3
84.04561	3.7
85.02958	1.8
96.96026	1.6
99.05660	1.1
101.02416	0.7
102.05613	23.1
114.01981	3.5
115.00404	2.9
115.08768	7.0
116.05061	4.9
117.82961	0.7
124.04058	0.8
126.11685	0.6
127.08869	0.8
128.03545	100.0
129.03908	2.2
129.10338	4.0
130.08775	1.5
133.01451	1.8
138.50650	0.6
141.10344	1.8
142.06638	2.5
143.11919	4.0
146.04591	21.9
147.02771	0.7
147.04927	0.7
152.07181	5.8
154.08759	2.9
159.07739	3.0
159.09048	0.8
167.11888	6.6
168.11452	0.8
169.09831	4.3
171.11398	2.8
172.09779	5.8
185.12918	1.3
186.12428	5.4
191.07173	0.8
203.08298	5.7
211.10902	5.4
212.14084	2.4
228.13554	1.3
228.17188	7.1
229.11856	4.0
229.17430	0.7
237.13913	3.8
239.07167	0.7
251.07091	1.7
267.06656	2.4
267.67661	0.7
272.17990	0.7
278.09171	0.7
279.06689	1.1
281.08331	0.7
281.12985	2.7
282.08957	1.0
288.13669	1.2
309.08026	1.3
314.17233	1.6
323.05719	1.9
332.12567	1.1
338.07928	1.5
341.10388	4.1
353.10327	7.2
358.17712	31.4
359.17960	2.4
371.11227	5.3
372.11472	1.0
443.23032	6.4
487.21985	66.0
488.22235	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	487.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.7
61.98833	1.2
67.68108	0.7
69.48784	5.9
70.47341	0.8
71.01384	11.0
72.99290	1.2
73.02968	1.4
79.95746	6.7
80.96523	3.4
83.01415	0.8
85.02965	4.9
86.03275	0.9
89.02460	0.8
96.96015	100.0
101.02451	3.2
103.00388	8.8
113.02544	1.0
115.00382	5.9
119.03571	0.8
122.97644	1.1
133.01453	7.0
133.02950	1.6
134.03745	0.9
135.04503	1.3
143.03474	0.8
147.04501	0.8
164.98607	3.6
179.03531	1.5
180.98145	1.8
187.12801	0.7
193.05067	2.8
211.43118	0.6
218.67287	0.7
238.04881	0.8
241.00359	4.2
248.79829	0.7
249.05502	0.7
251.07227	1.7
263.07343	0.9
267.06647	3.3
279.06631	3.1
279.53262	0.9
282.09055	1.6
294.05414	1.6
295.06128	1.1
297.13062	0.7
309.07617	2.3
323.05554	2.1
326.07993	1.1
327.08716	1.5
338.07932	2.5
341.06537	1.1
341.10327	8.9
353.06256	1.4
353.10297	13.8
354.10760	1.9
371.11304	4.8
371.31833	0.7
383.13577	1.6
401.14862	92.0
402.09219	1.3
402.15167	9.2
443.15967	38.8
444.10788	0.9
444.16043	4.8
469.14072	1.4
487.14920	30.8
487.22079	1.5
488.15222	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85048	2.3
69.71444	8.2
69.71854	5.7
71.01382	47.1
83.53139	2.3
88.13135	2.2
104.26103	2.2
108.02155	2.2
114.99632	4.2
115.00379	36.9
121.02979	5.6
133.01433	13.5
135.03578	2.1
145.02992	2.7
147.04552	7.4
148.05315	7.5
162.03268	3.0
191.03500	8.9
191.07161	9.0
194.05725	2.9
207.08104	3.0
209.05928	3.7
211.07751	3.1
220.03709	3.7
221.05974	2.2
223.07686	2.9
235.07822	3.3
238.04706	3.8
239.07158	10.9
249.05650	4.8
250.06516	2.9
251.07182	18.5
262.06494	3.5
263.07175	9.4
264.07712	3.5
265.70193	2.2
267.06616	31.7
268.07245	5.5
279.06628	25.4
282.08972	12.7
287.06921	2.6
294.05371	14.4
294.08954	9.2
295.05954	10.8
297.11276	3.4
307.06146	5.6
309.07700	16.7
309.10944	3.4
310.08453	4.5
322.08459	9.8
323.05597	26.5
323.08994	2.9
326.07913	16.1
327.08545	3.8
327.12195	3.1
337.06714	2.7
338.07993	32.8
339.08096	2.8
341.10321	73.2
342.10718	7.0
353.10300	100.0
354.10767	7.6
356.65665	2.5
371.11331	69.2
372.11649	4.1
403.48486	2.6
408.42471	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.8
59.68769	5.6
61.98824	18.0
70.89638	15.5
71.01375	21.2
77.69534	6.3
93.46878	4.9
112.92908	5.4
115.00349	37.2
133.01440	100.0
134.03755	9.9
135.04547	38.8
145.06155	20.3
179.03459	37.6
181.31361	4.9
200.21864	5.1
201.01654	5.5
203.79031	5.3
223.34888	6.8
255.96764	6.0
310.46863	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	486.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97562	1.3
59.01379	1.2
69.27460	9.0
70.02972	2.0
71.02460	1.0
76.41935	0.8
79.95789	1.1
80.09759	0.9
81.02196	2.8
82.02969	2.2
82.06643	1.1
85.02954	1.5
87.05698	1.2
88.53776	1.0
95.95242	2.2
96.00917	13.3
96.96023	6.7
97.07727	1.0
98.01876	1.5
98.02488	30.2
99.92580	1.2
100.47892	1.0
109.01714	4.5
114.01973	2.0
114.04690	1.0
115.00376	1.5
116.39587	0.8
129.10352	37.5
130.08748	40.1
133.01381	1.1
138.09258	19.4
153.10350	2.9
154.09885	8.4
155.08289	2.1
155.11801	1.1
164.09538	1.6
165.10387	1.3
166.08716	2.2
174.98705	0.9
180.11443	1.3
181.09843	11.3
183.11339	2.1
191.01982	1.3
192.99953	0.9
204.08853	1.1
219.10138	2.6
224.10376	2.2
225.08786	1.9
240.17209	10.1
248.17607	5.1
250.19290	9.2
251.12669	1.7
251.17554	2.1
258.18188	3.7
276.17178	9.3
294.18149	5.7
329.31274	0.9
338.17215	100.0
339.17532	11.0
355.19684	1.3
356.18054	1.3
424.46533	0.9
468.28256	65.4
469.28558	8.1
486.06329	1.1
486.29266	8.8
487.30264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01139	0.4
59.65141	0.4
60.47937	0.4
61.98829	0.4
70.62924	1.3
88.04044	55.1
89.04380	0.6
96.95992	0.6
98.20547	0.5
100.65150	0.4
147.08131	2.3
149.09714	1.5
161.09798	1.2
163.11290	3.6
187.11247	2.8
213.90271	0.4
218.56259	0.4
247.88957	0.5
265.12302	0.8
279.13831	0.9
280.14816	1.5
307.17126	0.6
309.22314	2.0
321.18695	0.7
337.21722	100.0
338.22046	10.9
352.43384	0.4
382.27512	1.0
486.26944	11.3
487.27002	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	485.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01381	4.9
61.98813	1.0
67.53342	0.4
70.12434	1.4
70.12833	0.9
71.01390	2.3
71.05000	0.6
72.04543	1.2
73.02963	1.0
73.65912	0.5
74.02462	0.6
80.79220	0.5
82.02979	2.8
83.06149	1.0
84.04537	2.0
85.02951	1.1
96.96007	2.0
97.06580	0.4
98.02429	0.7
98.20551	0.5
101.02446	1.3
101.07236	0.9
101.19830	0.6
107.02496	0.5
108.01089	0.4
109.04082	4.6
111.32599	0.5
113.02434	0.8
115.00360	0.6
121.10206	1.3
127.05143	33.2
128.03543	12.7
128.05511	0.5
132.04591	0.9
139.08780	0.7
139.11301	1.2
145.06203	9.0
152.07222	0.7
155.63730	0.6
156.13924	4.5
184.13396	2.2
198.15065	1.0
223.18129	1.4
233.16505	0.8
251.17636	7.3
263.16864	0.6
265.19174	1.2
269.18689	1.0
306.24332	0.6
308.25949	1.5
357.26141	0.7
361.28638	0.5
363.30121	1.5
373.28787	0.8
375.30115	0.8
391.29163	0.8
393.31232	2.3
399.13647	0.8
414.28821	0.7
455.31186	0.7
467.31238	6.3
468.31567	0.8
485.32321	100.0
486.32593	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98830	5.6
66.12687	1.1
68.10328	0.9
69.51574	3.3
69.52001	4.6
74.70747	1.3
91.04006	3.2
107.32135	1.0
119.39892	1.0
119.44199	1.1
141.14270	1.3
249.18607	3.6
265.18271	1.3
280.23529	1.5
320.01093	1.1
351.25406	10.1
443.62610	1.1
485.32825	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	485.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.4
61.98837	100.0
71.59811	1.2
112.66875	0.7
132.11072	0.9
157.72380	0.8
199.80511	0.8
239.15533	0.8
256.28806	0.8
283.14484	0.9
340.98831	1.0
485.32755	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48204	0.1
55.01874	0.3
56.78557	0.1
57.03447	0.2
58.00579	0.5
59.01381	9.3
60.01727	0.1
69.03450	0.2
70.00718	0.2
70.01108	0.2
71.01385	6.2
72.01723	0.1
72.99313	0.3
73.02943	1.0
75.00877	0.1
81.03472	0.1
83.01394	0.8
83.05038	0.5
85.02960	1.6
87.00871	1.0
89.02448	5.5
91.04010	0.2
95.00883	0.1
95.01379	0.6
97.02973	0.2
97.06638	0.1
99.00888	0.3
101.02447	6.4
102.02776	0.1
103.04019	0.2
107.89319	0.1
113.02452	2.9
115.04008	0.1
119.03525	1.4
125.02452	0.3
131.03506	0.2
133.05078	0.3
133.19453	0.1
143.03482	0.4
149.04556	0.1
161.04555	2.1
166.22775	0.1
177.16463	0.2
179.05583	0.8
186.75813	0.1
198.09544	0.1
205.19620	0.9
231.17516	0.8
232.17746	0.1
235.08241	0.8
245.20847	0.1
247.17035	0.4
249.18594	100.0
250.18932	7.7
253.09280	19.4
254.09593	0.8
318.92697	0.1
370.55130	0.1
485.32837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99918	0.5
53.97985	0.5
57.03447	1.7
58.54169	0.6
59.01388	6.3
61.98830	0.7
69.03461	1.1
69.81422	3.1
69.86436	0.6
71.01394	3.6
73.02934	0.7
83.01397	1.1
85.02950	2.2
91.04007	0.7
96.96010	1.8
97.06595	0.6
101.02440	1.4
106.04224	0.6
111.08164	1.5
111.37057	0.7
113.02436	0.8
133.01433	0.7
155.10777	3.6
165.12860	22.1
183.10338	1.9
183.13904	69.6
184.14235	4.1
191.02063	0.7
194.09253	0.6
209.11812	1.2
211.13474	4.4
227.12891	100.0
228.13184	6.2
229.80750	0.6
241.00256	0.7
261.18536	0.7
279.19681	1.7
287.23831	8.8
288.24414	0.7
305.24918	3.6
313.21716	4.2
323.18765	0.9
325.14420	1.1
331.22824	9.7
332.23349	1.4
349.23892	16.8
350.24237	2.3
361.00726	0.6
367.24893	8.1
368.25244	1.0
423.27444	5.8
441.28601	2.7
485.27478	8.8
486.27832	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03450	0.1
58.00594	0.2
59.01380	7.4
67.01897	0.1
69.03448	0.2
70.04039	0.4
70.04403	0.2
71.01385	4.6
72.99287	0.1
73.02956	1.0
81.03442	0.1
83.01398	0.7
83.01796	0.1
83.05022	0.4
85.02959	1.1
87.00876	0.8
89.02448	3.8
91.03992	0.2
95.01404	0.4
97.02953	0.2
97.06593	0.2
98.19948	0.2
99.00895	0.3
99.49423	0.1
101.01774	0.2
101.02449	4.7
103.04028	0.2
113.02438	2.2
119.03509	1.1
122.69545	0.1
129.59360	0.1
131.03540	0.1
133.05074	0.4
143.03526	0.5
157.05061	0.3
161.04550	1.6
177.16490	0.3
179.05614	0.6
205.19574	0.7
231.17522	0.8
235.08310	1.1
247.17007	0.4
249.18597	100.0
250.18936	8.1
253.09288	15.9
254.09590	0.6
280.34686	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	485.1699
Annotation	Callophycoic acid A
Peak:m/z	Relative Intensity
56.70354	0.6
59.01383	13.9
61.98841	2.2
70.60868	0.7
71.01376	1.6
71.15721	1.6
73.02931	0.7
79.95751	5.8
80.96518	2.6
85.02969	1.2
96.96015	100.0
101.02437	1.1
103.00375	8.3
107.29829	0.8
121.68431	0.6
143.03505	0.6
152.98689	1.0
164.98611	2.8
180.98129	1.8
241.00244	3.2
245.39835	0.7
348.72897	0.7
373.38831	0.8
381.16003	1.3
399.16937	94.8
400.17392	8.6
441.18011	38.4
442.18301	3.8
466.15094	0.8
467.15970	1.4
485.16980	24.0
486.17300	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	485.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24969	4.7
53.24273	5.3
57.03448	5.4
59.01100	5.3
59.01387	100.0
61.98827	16.3
69.03436	6.4
71.01389	62.0
71.04972	5.5
71.60803	7.1
73.02956	44.1
73.23830	4.9
74.02464	8.9
75.76672	4.1
80.96493	6.9
83.01374	13.0
83.05024	5.4
83.51522	4.4
85.02956	17.0
89.02448	17.0
96.96018	68.2
97.02914	6.3
100.92580	4.9
101.02446	41.4
103.00371	5.1
106.65181	5.4
113.02443	21.3
115.92060	5.7
127.05095	11.0
133.01399	7.7
143.04613	15.0
145.06145	8.3
155.10776	6.3
161.04553	8.2
171.10222	10.7
175.14915	10.1
177.03395	15.5
183.10275	32.5
183.13849	8.0
186.64932	4.7
199.13387	18.8
209.11754	9.9
211.13402	78.9
219.13911	16.4
227.12892	89.1
241.00288	15.6
257.14011	5.9
272.48703	5.2
289.47565	4.7
296.98840	5.3
303.42642	4.6
337.23810	5.0
356.23398	5.9
375.21704	12.8
381.66635	4.4
399.13379	42.0
425.18942	6.9
441.14423	14.1
441.21292	22.3
449.25546	7.8
467.25308	7.6
485.13516	13.5
485.21640	7.3
485.32086	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	485.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49100	1.0
59.01384	16.9
61.31327	1.0
62.43229	0.9
69.34085	9.7
71.01376	4.6
71.40186	1.0
73.02921	3.0
74.02486	2.1
79.95740	5.1
80.96513	2.6
85.02964	1.7
86.02503	1.4
89.02409	1.4
96.96015	100.0
98.19792	2.4
99.05660	1.9
101.02444	4.5
103.00368	7.1
113.02393	2.6
116.90113	0.9
128.03532	6.3
138.97089	1.7
143.04631	7.5
144.04965	1.4
160.00716	1.5
164.98593	1.6
180.98099	2.9
241.00322	6.3
255.08073	1.4
259.01010	1.4
272.08990	2.7
288.06567	1.4
306.07593	4.1
307.07794	3.8
364.85638	1.0
381.12375	1.1
393.10269	1.1
399.13290	81.5
400.13620	6.0
414.37476	1.1
441.14359	38.3
442.14658	2.0
467.12146	1.6
485.13306	21.9
486.13791	1.5
514.54901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17003	0.9
57.03451	10.0
59.01382	21.9
60.74662	0.9
61.98817	1.4
66.42313	0.9
70.19853	3.1
71.01376	6.8
72.99310	2.2
73.02951	1.8
75.00871	1.9
75.48195	1.1
76.68052	1.0
79.95746	9.1
80.96518	2.8
81.52303	0.9
83.01394	2.4
84.02167	1.4
85.02958	76.6
86.03300	1.7
89.02473	1.3
96.96018	100.0
99.00870	1.0
101.02444	4.0
103.00364	10.1
111.00892	3.4
113.02439	1.7
115.00369	5.0
123.46797	1.0
128.03482	1.6
129.01939	6.6
133.01443	7.8
134.03745	1.8
135.04500	2.4
143.03539	1.9
147.03001	12.3
152.98650	1.1
161.04608	1.4
163.56526	1.0
164.98636	2.9
180.98152	2.0
191.02008	27.1
195.97366	1.1
241.00160	3.3
293.10529	1.1
313.95148	1.0
381.12350	1.7
399.13306	97.9
400.13620	7.9
441.14374	35.5
442.14899	2.6
467.11948	1.4
485.13235	27.7
485.29831	1.3
486.13596	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	484.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
57.47879	1.7
58.02970	11.2
59.01384	32.2
61.98836	1.7
63.98682	2.2
70.03001	2.0
70.96107	4.2
71.01382	18.7
73.02963	6.6
74.02480	24.0
75.68957	1.7
79.95744	4.5
82.02985	3.1
83.01384	2.5
83.28895	2.0
84.04569	2.3
85.02956	10.4
86.02464	8.7
87.05659	4.5
89.02468	7.2
90.00212	3.4
94.57183	1.6
96.96014	78.3
97.04064	2.6
99.00861	1.9
99.05639	21.9
101.02443	6.5
101.07220	3.6
102.05598	3.3
103.00372	6.9
109.04104	4.0
110.11228	1.9
112.04041	4.0
113.02477	9.8
113.03569	2.3
115.00379	3.1
116.01778	2.2
125.64520	1.9
127.05153	5.8
128.03535	62.2
135.05643	5.4
141.06683	4.4
143.04619	80.6
145.06190	5.2
146.04604	9.8
153.06696	5.0
160.00768	24.0
166.09877	2.4
167.04597	5.4
167.08252	4.9
177.03391	10.6
179.04620	16.9
180.98111	3.7
185.05754	4.0
191.94972	2.1
197.05673	2.2
209.09560	1.8
210.08904	15.1
241.00278	6.6
253.90021	2.0
254.07823	29.1
272.08893	45.2
273.09097	2.4
288.06680	13.2
306.07639	100.0
307.08044	5.3
323.57257	2.3
342.28851	2.1
399.13281	67.4
441.14383	31.9
484.20920	4.7
485.13428	22.4
485.23764	5.4
485.30988	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	483.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58282	0.7
57.03453	1.4
57.97550	1.4
58.02969	2.0
58.68175	0.6
59.01379	6.4
61.98835	6.6
66.03481	0.8
71.01376	4.6
71.05010	2.8
71.09544	1.2
71.09885	1.0
72.04539	2.1
74.02482	4.5
78.95924	0.8
82.02972	3.1
83.05032	1.5
83.06160	0.8
84.04553	3.8
85.02938	1.3
86.02474	1.7
87.04498	0.7
88.62027	0.8
89.02462	0.9
96.96022	5.8
97.06588	1.5
99.05635	2.7
101.02446	2.0
101.07217	1.7
105.91288	0.7
109.04067	5.3
113.02440	1.8
115.00334	1.0
116.05048	0.8
121.10229	2.3
123.08165	1.8
125.09753	3.6
127.05139	28.9
128.03545	20.8
133.01469	1.2
135.05641	0.7
137.07245	0.7
139.08730	1.0
143.04628	9.1
145.06201	10.8
146.04597	0.7
153.12846	1.4
160.00781	3.6
161.04582	0.9
171.82225	0.6
175.11343	0.8
177.03436	0.8
179.04590	1.4
179.12003	1.5
181.08643	0.9
183.10297	1.4
183.17482	1.0
184.13403	1.3
207.10207	0.8
210.08873	1.5
211.13382	1.7
211.17043	1.6
226.18097	0.9
233.17262	0.8
241.00192	1.5
249.14977	1.3
251.17754	1.2
254.07765	3.5
272.08896	6.2
288.06552	1.3
293.22296	1.3
306.07635	13.5
306.24448	1.5
355.24841	0.9
361.28473	1.3
373.20169	1.2
373.28745	2.0
391.21335	1.7
391.29514	4.3
397.03564	2.0
464.28662	0.8
465.23907	4.7
465.30774	4.8
483.30792	100.0
484.24045	1.4
484.30984	16.1
503.53040	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.273
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
54.06208	0.3
69.59789	0.3
70.35566	0.8
78.95906	16.2
82.97242	0.4
94.31955	0.3
96.96981	1.8
98.19939	0.5
150.98027	0.4
152.99596	30.5
166.21552	0.3
171.00618	1.6
227.03241	4.0
245.04289	0.9
255.23300	100.0
256.23611	8.6
327.29715	0.4
335.58203	0.4
391.22467	0.9
483.27295	53.1
484.27625	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	483.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
57.97554	1.1
58.00599	0.8
59.01385	6.4
61.98839	7.6
71.01390	7.4
71.05015	1.9
71.59723	0.8
72.04560	1.7
72.99281	0.8
73.02923	0.8
74.02460	2.1
78.95911	1.7
82.02979	2.6
83.06154	1.6
84.04556	1.2
85.02957	2.3
85.06557	1.2
87.04532	0.9
88.98807	0.9
89.02455	1.9
95.05046	1.2
96.96049	1.8
97.06609	4.6
99.00871	1.1
99.05643	1.1
101.02426	3.3
101.07214	1.8
109.04087	4.5
113.02433	2.2
115.00336	2.6
115.14597	0.8
116.05096	1.5
124.89397	0.9
125.09709	1.6
127.04211	1.8
127.05147	34.0
128.03546	16.6
128.05504	1.1
133.01440	2.3
134.03712	0.9
135.04553	1.1
143.04640	3.4
145.06210	10.3
153.12866	4.8
156.50394	0.8
160.00740	1.3
164.36223	0.8
167.14362	0.7
183.10211	1.1
183.13928	1.0
208.17261	1.0
211.13425	12.5
225.11392	1.0
226.18094	5.6
238.05084	1.5
251.12883	1.3
262.08688	2.1
272.08908	1.5
293.22281	4.9
306.07642	4.2
306.24359	1.3
307.22900	0.9
324.25439	1.6
361.28540	1.9
367.06900	1.1
373.28806	1.1
385.28851	1.0
391.21164	1.9
391.29752	3.4
393.70285	0.8
439.00635	0.9
460.69397	1.2
465.24030	1.2
465.30069	5.3
483.30798	100.0
484.31021	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	483.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.1
61.98820	4.3
63.79810	1.4
64.14362	1.5
68.52090	1.2
69.29333	12.0
71.01383	4.0
79.95731	7.4
80.96511	3.6
81.99406	1.1
91.58201	1.2
96.96016	100.0
101.02418	2.6
103.00373	5.8
111.00896	7.2
115.08051	1.1
141.50134	1.2
147.44934	1.4
164.98648	1.6
182.10132	1.5
241.00093	2.2
256.99646	4.7
263.57687	1.5
293.21082	1.5
304.61865	1.4
397.15369	83.3
398.15598	8.4
439.16422	33.5
440.16702	3.7
465.14661	2.6
483.15387	22.5
484.15338	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	483.2727
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
59.46104	0.4
70.92548	0.9
78.95905	5.9
81.95805	0.4
84.02869	0.3
147.55823	0.4
152.99605	12.6
171.00674	1.2
227.03276	3.3
245.04253	1.1
255.23297	100.0
256.23651	7.5
307.44562	0.4
469.69846	0.4
483.27277	26.7
484.27612	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	482.349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03594	0.6
59.01384	100.0
60.01722	1.3
70.81151	1.8
75.35304	0.6
86.90470	0.6
87.65726	0.7
112.27496	0.6
277.21735	54.9
278.22092	4.8
403.57321	0.7
482.25854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.0
61.98825	0.7
67.00304	0.5
71.01369	2.6
73.02946	1.3
79.95752	6.1
80.96503	2.9
83.01371	0.7
83.74081	0.5
85.02955	0.9
87.00867	0.7
89.02438	1.2
95.95255	0.5
96.96015	100.0
101.02435	2.5
103.00369	7.2
113.02456	0.5
113.14345	0.6
115.00403	1.1
118.44825	0.5
122.62908	0.5
133.01428	2.2
150.97070	0.9
152.98569	1.1
164.98593	2.9
177.90115	0.5
179.03419	0.6
180.98077	1.5
210.06190	0.6
230.76003	0.7
230.78656	0.7
241.00206	4.2
379.10687	2.5
386.42169	0.5
397.11728	90.3
398.12021	7.6
418.12027	0.7
439.12787	35.9
440.13239	3.2
465.10626	1.3
483.11639	20.8
484.12177	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01714	1.4
61.98838	1.7
70.19588	1.6
71.01384	3.1
82.56999	0.4
87.00895	0.4
96.96020	1.6
97.59940	0.4
97.80074	0.3
98.95587	0.5
111.00917	1.2
121.02976	0.8
177.00952	0.5
183.10207	0.4
194.95857	0.6
206.97693	0.9
222.00011	1.8
247.13567	0.8
308.13211	0.4
367.06860	1.0
373.20569	0.5
381.11789	0.5
397.14267	1.2
439.15823	0.5
483.14856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50723	1.2
69.30800	10.9
78.95907	40.0
83.88859	1.1
84.97221	1.2
96.96941	3.6
98.20591	2.4
123.48332	1.2
152.99591	60.1
171.00668	14.3
227.03271	3.1
245.04317	100.0
246.04599	2.6
249.24635	1.2
251.10690	1.2
253.21716	59.6
254.22049	5.0
481.25711	37.7
482.25980	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95906	60.2
96.96994	5.0
98.19734	1.7
119.73765	1.0
150.98021	1.9
152.99596	100.0
169.66153	1.2
171.00648	17.6
227.03284	8.7
245.04312	75.0
246.04652	2.2
253.21724	51.4
254.22046	4.6
363.28751	1.2
388.84195	1.2
481.25729	97.4
482.26083	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	480.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60760	0.8
61.98833	100.0
70.08801	3.4
78.95903	10.7
80.47169	0.8
87.19087	0.8
99.13517	0.9
120.65068	0.9
121.63549	0.9
140.01180	2.3
152.99602	3.3
172.94412	0.8
196.03799	6.5
245.04308	2.2
253.21663	1.1
255.23222	1.7
283.26428	65.1
284.26752	6.9
364.54086	1.0
480.24078	0.8
480.30890	17.0
481.31247	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94860	0.8
56.31207	0.8
59.01382	11.7
69.83550	5.4
70.33448	1.0
71.01369	2.5
73.02956	1.3
79.95751	4.8
80.96519	3.5
85.02965	1.5
88.92428	0.8
96.96017	90.8
101.02438	1.9
103.00376	8.7
138.97043	1.3
152.98663	2.5
155.16107	1.0
164.98688	2.4
180.98111	3.1
194.99007	0.9
198.99240	1.1
241.00261	6.3
363.21997	1.3
395.13803	100.0
396.14032	8.3
437.14838	45.8
437.24405	1.3
438.15515	4.5
463.12439	1.2
480.27328	1.1
481.13864	42.1
482.14200	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	481.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54308	1.3
57.03455	3.4
59.01385	24.8
61.98819	5.6
67.01889	2.0
71.01357	2.1
71.60301	1.3
78.95921	2.8
83.05025	3.2
95.05019	4.3
96.96003	4.3
97.06578	4.2
98.41978	1.6
107.05046	2.7
109.06584	2.0
121.06577	2.0
123.08179	2.1
124.69707	1.5
125.09718	11.1
133.02936	1.7
137.09731	2.1
141.54793	1.8
173.09760	1.8
175.11264	9.6
183.13841	2.2
185.11807	5.6
211.13373	1.9
237.15086	1.8
240.21695	1.9
301.21738	48.1
302.22034	5.3
319.22644	3.3
327.19284	1.8
345.20706	43.9
346.21085	4.8
363.21790	100.0
364.22101	8.8
437.25452	43.8
438.25735	6.0
481.32022	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	480.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85005	1.9
61.98838	100.0
63.00875	2.2
67.08834	1.8
77.09550	2.1
78.95917	6.5
85.56681	2.5
116.11548	2.0
127.74521	2.1
152.99608	10.2
225.49788	2.5
245.04308	8.4
253.21672	6.6
292.15259	2.2
348.22458	2.0
362.76459	2.2
481.25735	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	480.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82264	1.1
61.98833	100.0
69.00857	1.1
70.63319	1.4
78.95897	3.0
98.19855	3.3
101.44779	1.2
104.61987	1.1
152.99594	1.8
154.36865	1.3
161.95834	1.4
245.04329	2.1
255.23280	2.1
283.26315	4.3
285.20914	1.2
289.63010	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03445	0.6
57.97564	0.4
59.01381	4.0
61.98841	0.4
69.80920	0.4
71.01395	3.3
71.05016	1.6
71.32670	0.4
73.02953	0.7
83.05020	0.9
83.43862	0.4
85.02937	0.5
87.00890	0.8
89.02468	2.1
96.96004	1.2
97.02959	3.5
97.06583	1.7
99.00880	15.2
101.02437	2.5
101.49493	0.4
109.06589	1.1
110.03724	0.9
113.02432	1.1
113.82308	0.4
115.00348	1.1
123.08125	0.7
125.09728	5.3
128.01752	0.5
133.01416	1.4
135.08112	0.5
136.05299	0.6
142.02707	0.7
153.12840	0.8
155.14383	0.7
161.04636	0.7
163.11307	7.8
164.11546	0.7
165.00201	0.8
171.10266	2.7
175.02513	0.8
181.12335	16.7
182.12704	1.2
182.65439	0.4
184.32509	0.4
190.02576	0.5
197.11795	1.0
199.13396	12.4
200.13826	0.9
205.04991	0.6
207.10265	28.9
208.10632	1.7
225.11320	47.0
226.11620	3.5
243.12361	32.0
243.14928	0.9
244.12718	1.8
253.09268	1.9
255.02994	0.7
283.02704	0.5
285.03983	2.0
292.01132	1.0
299.01877	1.4
317.15973	1.2
369.66199	0.4
398.59625	1.0
399.10205	1.2
435.09485	0.8
436.84445	0.5
461.20499	0.9
479.09106	2.7
479.21326	100.0
480.21655	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	479.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04593	1.8
59.01390	2.0
71.60255	3.4
75.73402	2.1
78.95905	49.1
96.96960	3.9
119.70857	2.2
132.56129	2.1
152.99599	56.8
171.00677	17.9
227.03223	2.5
245.04314	100.0
246.04591	3.2
251.20177	54.9
251.22702	4.4
252.20401	4.0
479.23895	26.9
480.24838	4.0
499.84720	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2933
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
59.01378	0.8
59.40466	0.6
61.98835	1.5
71.60541	0.7
76.28023	0.6
78.95906	100.0
79.75021	0.5
81.02680	0.5
82.92935	0.5
96.96951	7.7
117.31682	0.6
121.82250	0.6
140.01123	0.8
152.98338	1.0
152.99583	15.9
171.00644	19.6
183.04216	0.7
281.25217	0.7
388.01083	0.7
404.25360	1.3
478.29382	60.5
479.29819	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	479.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00378	2.6
50.24331	2.1
50.70209	2.4
52.46244	2.1
54.21091	2.1
56.39556	2.0
59.01369	6.5
65.11040	2.2
71.01389	29.5
71.12010	3.7
71.12344	2.7
74.99097	29.7
76.98676	16.4
79.95746	15.2
80.96550	2.2
81.95309	10.0
81.96168	2.1
93.03437	2.8
95.95238	61.1
96.96017	100.0
97.94817	33.6
97.95602	4.8
98.95584	53.0
98.96411	9.5
101.02446	2.5
108.02187	14.9
115.00378	13.2
120.34870	2.2
121.02914	7.1
122.03800	2.4
122.59784	2.4
123.04563	11.9
133.01401	4.6
149.02463	12.0
150.03238	41.1
152.01152	27.0
164.04675	3.4
165.05573	57.3
166.05865	4.0
167.03506	79.3
180.04269	3.7
186.43416	2.5
195.06627	41.4
195.08337	4.3
196.06952	2.9
210.40866	2.0
236.95532	2.6
256.07404	4.7
271.09747	2.1
315.08667	25.6
316.09229	2.6
363.10876	24.4
393.08658	5.2
435.09503	2.7
479.06226	77.3
480.06464	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	478.2939
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.05553	0.3
61.98827	0.5
70.11790	1.1
74.30524	0.4
78.95907	27.9
96.96941	0.9
122.00128	0.7
140.01176	4.8
152.99573	3.3
171.00665	2.2
196.03806	10.8
197.04144	0.4
214.04880	2.3
273.66263	0.4
281.24850	100.0
282.25186	9.4
478.29398	33.3
479.29553	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63943	0.3
65.86365	0.3
66.94599	0.4
69.62283	0.8
69.62696	1.6
70.58112	0.3
78.95906	7.9
84.60708	0.3
96.96960	0.4
110.14086	0.3
140.01230	1.8
152.99544	0.8
171.00569	0.5
196.03792	1.0
210.96472	0.5
214.04904	2.5
278.22159	1.3
281.24863	100.0
282.01953	0.3
282.25208	10.9
297.77191	0.4
478.29453	10.8
479.29703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98074	9.0
59.01376	23.7
61.98801	11.7
66.84286	11.3
69.47483	29.0
69.47899	50.8
71.01414	15.8
100.77664	11.5
107.84600	9.7
111.46160	9.3
113.87609	10.2
255.23271	100.0
269.24863	93.8
297.24234	10.8
299.01904	42.5
300.02722	33.4
300.99802	12.7
315.05103	21.7
477.10434	44.7
478.10519	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.59626	0.2
69.79025	1.3
119.94709	1.3
121.94456	0.3
135.92101	0.8
146.96596	2.2
148.94992	0.3
175.96915	0.7
190.96036	0.5
217.97925	0.5
275.93939	0.2
291.91525	0.3
302.90854	0.3
403.41531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2496
Annotation	2-Deacetyldecinnamoyltaxinine E
Peak:m/z	Relative Intensity
55.01868	1.3
59.01385	100.0
61.98840	4.8
64.28417	1.3
64.48065	1.3
69.03425	1.4
71.01384	25.1
73.02956	12.1
78.95914	14.1
83.01397	5.9
85.02961	4.1
89.02454	8.1
93.65509	1.3
95.15529	1.3
96.64248	1.3
96.96033	3.2
97.02983	1.7
101.02455	19.0
107.66081	1.4
110.00137	1.5
110.98561	10.4
111.08178	5.1
113.02466	5.9
116.05080	12.6
119.03473	2.3
125.09765	2.0
143.03476	2.0
161.04608	2.0
167.01189	8.2
169.12364	2.0
185.02283	3.0
197.11830	22.4
198.12158	1.6
199.13303	1.5
211.13441	3.0
212.76996	1.3
244.09727	2.4
251.33150	1.7
273.18787	1.7
287.11682	1.6
291.19684	9.9
299.02084	2.2
300.12433	3.7
300.99994	1.5
301.03738	1.8
309.20749	18.7
312.49594	1.5
315.05280	2.3
417.18094	5.6
417.22855	28.6
418.23367	3.2
435.23965	38.1
436.24155	5.0
477.10019	3.5
477.20526	16.1
477.24652	40.8
478.20602	1.6
478.24957	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	477.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26839	19.0
57.63037	15.1
62.18988	15.9
66.59087	15.7
66.77720	14.9
71.49942	22.7
74.86343	16.4
75.63422	14.6
76.77864	18.0
87.30378	16.8
95.67622	21.4
120.49420	17.1
143.33572	17.7
171.10274	25.9
191.77936	20.1
207.22005	19.5
209.19356	18.5
255.23277	100.0
269.24811	88.3
299.01910	23.3
300.99927	31.1
301.03354	20.8
315.05023	23.6
426.50436	18.1
477.10092	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2263
Annotation	Oblongixanthone C
Peak:m/z	Relative Intensity
52.18603	1.0
59.01391	2.9
61.98816	1.7
62.78674	1.2
63.87251	1.2
67.50182	1.1
69.79368	1.1
69.92379	1.0
71.01388	1.4
71.60452	1.5
71.60857	1.4
77.36754	1.1
78.95910	31.9
94.35390	1.3
96.96945	1.7
104.37865	1.2
114.21203	1.1
114.42268	1.2
135.26395	1.3
148.80209	1.2
152.99591	38.8
171.00705	1.6
227.03285	5.5
227.73500	1.1
249.18611	100.0
250.18884	7.0
293.26050	1.3
299.01999	3.7
300.02802	2.3
300.99921	2.4
315.05286	2.7
419.73627	1.1
477.11182	2.8
477.22617	63.2
478.23087	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03400	1.5
58.00604	1.8
59.01382	100.0
61.98826	2.6
66.72195	1.2
71.01383	21.8
71.60473	1.4
73.02957	14.2
78.92519	1.1
78.95905	12.4
83.01405	4.3
85.02956	4.5
89.02475	8.2
95.01374	1.6
96.96010	3.1
97.02969	1.6
99.00912	2.7
101.02446	11.8
110.98543	9.1
111.08188	3.8
113.02483	8.0
116.05076	15.3
119.03509	2.1
133.03011	1.5
161.04558	1.6
167.01138	8.1
173.93590	1.5
185.02231	2.8
197.10109	1.1
197.11827	21.2
199.04031	2.7
199.13513	1.3
211.13538	2.2
227.12997	2.0
244.09941	1.7
263.20261	2.1
273.18515	2.2
287.11459	1.9
291.19739	8.3
292.20013	1.4
296.47122	1.5
299.02078	8.4
300.02780	6.6
300.12314	3.2
305.32373	1.5
309.20728	16.1
312.90549	1.3
313.03543	3.5
315.05078	3.9
343.24905	1.5
417.18033	4.0
417.22839	36.3
418.23154	4.0
435.23874	36.0
436.23944	2.9
477.11084	11.5
477.24426	45.7
478.10715	2.3
478.25015	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	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91023	0.8
57.03443	1.6
58.00590	1.0
59.01380	14.1
60.01687	0.9
61.98823	3.5
69.03452	2.7
71.01386	10.7
71.05016	2.2
71.60537	0.8
72.99317	1.1
73.02943	1.9
79.95756	1.5
83.01408	1.1
85.02948	2.6
87.00891	2.1
89.02445	3.2
90.47169	0.6
95.01423	0.8
95.95235	1.9
96.96018	8.0
97.06595	1.2
99.00870	1.0
100.52082	0.9
101.02451	4.8
103.00398	0.8
109.02943	1.0
111.14989	0.7
113.02453	2.0
115.00385	5.7
116.92937	0.9
123.08155	1.6
125.02444	0.9
125.09721	1.8
128.03528	1.2
133.01402	6.0
133.02965	0.8
135.04527	1.5
137.09740	1.3
141.25285	0.7
143.03342	0.7
145.06140	0.7
151.00336	0.9
151.11275	1.9
152.96182	0.8
153.12860	2.4
161.09718	2.6
162.68018	0.9
175.02469	3.5
179.10780	6.5
187.04027	3.7
197.11836	92.9
198.12166	5.0
199.03879	1.2
202.06270	1.1
215.03520	1.2
223.09778	1.8
227.03587	1.2
241.10797	12.0
242.02267	2.0
243.02991	7.4
243.80629	0.7
244.03465	0.9
252.08258	0.8
253.09212	2.7
255.10281	1.2
257.04504	2.8
257.99942	0.9
270.01703	1.9
271.02475	8.4
285.04037	5.8
286.04730	1.5
289.90222	0.8
299.01956	5.0
299.12610	1.1
300.02725	5.0
313.03699	1.1
314.04303	10.5
315.04999	4.7
317.13959	5.1
344.00018	2.3
359.16852	1.7
361.18436	0.9
361.22327	2.8
397.95834	0.9
477.10318	21.9
477.19742	100.0
478.10654	1.9
478.20084	12.2
478.27243	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	477.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01384	16.9
61.98832	2.7
68.99824	1.4
69.03455	1.9
71.01386	6.5
71.60081	0.6
72.99312	1.4
73.02937	1.5
75.00877	0.9
83.01394	3.9
85.02956	3.5
87.00879	1.3
89.02433	0.5
95.01407	0.6
96.96037	2.1
97.02943	1.8
99.00869	3.8
99.04502	1.0
101.02473	2.0
102.59253	0.4
111.00882	4.5
113.02468	2.0
115.00370	0.7
116.05070	100.0
117.05416	3.7
127.04031	0.9
129.01955	8.1
130.06625	1.1
133.01472	0.7
133.02975	0.4
134.03772	0.9
141.01952	3.8
142.06621	10.2
143.06995	0.6
144.04582	0.7
145.74445	0.4
146.06203	0.5
154.06602	1.1
156.04622	0.8
156.08217	1.1
157.05238	0.6
158.06157	2.3
159.03003	6.2
160.07693	1.4
166.06587	1.2
168.04466	1.0
169.05353	2.1
170.06126	18.6
171.06520	1.2
172.07727	1.5
177.04065	2.2
178.02719	0.4
181.05376	1.6
182.06030	1.2
184.04007	1.2
184.07701	1.1
185.78889	0.4
187.06342	0.4
194.06102	1.1
198.05611	5.3
199.04083	0.6
200.07199	1.3
201.04059	1.4
204.06685	0.4
208.07635	0.5
218.59366	0.4
222.05667	2.5
226.08661	0.4
243.09285	13.0
244.09673	1.2
245.10844	25.7
246.11148	2.2
254.08444	0.8
255.09273	7.4
256.09970	2.1
257.10855	21.0
258.11179	2.1
259.12451	1.0
267.09329	0.9
269.10715	0.8
271.12274	1.0
281.10986	0.5
285.10419	1.0
285.13885	1.0
287.11942	3.6
293.10706	0.7
295.12134	0.8
297.10266	1.7
299.01956	0.7
299.11938	3.1
300.02515	0.7
301.13385	3.0
302.13690	0.5
311.11926	0.7
315.05148	0.9
315.11212	2.7
316.11661	0.5
317.12949	32.0
318.13318	3.7
325.13422	2.4
327.11285	0.7
329.12793	0.8
333.12427	9.5
334.12930	1.4
339.11343	14.2
340.11850	2.0
343.14526	4.7
344.14999	0.9
345.12466	1.8
347.13986	0.9
355.14487	0.8
357.12317	2.4
359.14142	2.4
371.14041	1.0
373.15555	2.3
375.13464	1.7
387.13303	0.7
391.10754	0.7
399.13556	1.0
417.14606	7.2
418.15060	0.8
435.15616	5.8
436.16000	0.8
460.18884	0.9
467.32358	0.5
477.10437	2.2
477.18063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.3
59.01383	44.3
60.73534	1.0
61.98825	6.9
68.99821	6.4
69.03458	7.6
70.84700	3.2
71.01387	16.2
72.99323	1.7
73.02945	3.2
75.00899	1.7
81.03453	1.5
83.01391	12.1
85.02953	12.0
87.00893	4.0
87.04535	1.1
92.18839	1.0
95.01410	1.2
96.94054	1.0
96.95997	2.2
97.02956	7.2
98.20599	1.2
99.00893	7.6
101.02454	9.0
111.00909	13.2
111.04520	2.7
113.02451	7.5
116.05071	66.0
116.92872	5.6
117.05402	3.0
123.00874	1.1
128.05057	3.3
129.01945	20.5
130.06665	3.9
141.01949	16.6
142.06587	7.0
143.64017	1.0
144.04466	1.4
145.83817	1.1
156.04527	1.2
157.05327	1.1
158.06114	15.1
159.03020	14.6
170.06125	4.2
172.07693	8.6
177.04034	3.2
184.07657	1.1
186.05553	5.6
188.07167	41.2
189.07533	2.0
196.07661	2.8
200.07098	1.5
201.04008	1.7
204.06665	13.2
210.05597	3.7
212.07155	2.1
214.08730	6.3
216.06706	1.3
218.08247	1.3
226.08751	1.8
228.06636	2.5
229.87996	1.0
230.08194	11.2
244.09770	4.0
246.07860	2.4
256.09753	1.4
258.07751	2.1
260.09271	9.2
262.84644	1.3
270.07745	9.8
276.24084	1.1
278.10294	2.0
288.08789	100.0
289.09094	6.1
300.02542	1.1
306.09818	31.7
307.10022	3.3
330.09750	1.6
348.10855	22.2
349.11020	2.6
435.15588	2.5
472.25931	1.2
477.10406	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0643
Annotation	14S-Bromo-1S-hydroxy-1,2,13,14-tetrahydrosphaerococcenol A
Peak:m/z	Relative Intensity
59.01373	1.1
71.01373	2.2
71.19257	1.5
71.19576	1.0
72.76735	0.8
74.99103	32.7
79.95736	17.4
80.96491	1.6
83.42262	1.0
85.02955	2.1
95.95236	71.1
96.96016	100.0
97.15912	0.8
111.30251	0.9
138.97078	0.8
172.22203	0.9
226.35551	1.1
229.88536	1.1
235.05455	1.5
259.01248	2.0
259.88718	1.0
477.06406	47.1
478.07086	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03406	0.8
59.01382	11.7
61.36363	0.8
61.98843	5.0
65.00320	0.9
66.14318	0.6
67.11507	0.8
69.59379	2.6
69.59785	2.0
71.01385	8.7
72.99301	1.8
73.02924	1.5
74.02478	1.2
75.00873	1.6
79.95738	2.4
83.01396	1.6
85.02949	2.9
87.00826	0.9
89.02436	1.6
96.96014	10.9
98.20605	1.4
101.02445	2.5
107.01395	1.6
109.02966	1.2
111.79395	0.7
113.02460	1.8
115.00385	5.6
120.01292	1.1
122.06104	1.0
125.02422	0.9
128.03534	1.6
132.89655	0.7
133.01437	7.2
133.02942	1.0
134.03749	1.0
135.04564	1.5
143.04591	0.9
150.05588	1.5
151.00336	4.2
155.10747	1.6
161.04604	1.2
161.05875	0.7
163.00412	1.0
169.12344	0.9
171.04436	0.8
171.10287	1.2
175.02513	1.4
175.04021	1.2
178.99828	1.0
179.10783	1.1
181.01476	0.8
187.04034	3.6
197.10260	0.9
197.11783	5.1
199.03989	5.1
199.13292	0.8
201.01967	1.3
201.09171	0.8
209.11772	1.2
215.03516	1.8
223.13464	0.8
226.02655	1.1
227.03546	4.4
227.11960	1.1
241.14473	1.7
242.02222	7.9
243.02980	37.5
244.03331	2.5
255.10278	1.1
257.04532	10.3
258.05051	1.0
261.03967	2.6
270.01740	11.6
271.02478	38.8
271.10815	1.5
272.02927	4.2
285.04068	21.4
285.12979	1.2
286.04782	6.7
287.01938	1.3
299.02002	15.3
299.12848	1.8
300.02774	6.7
313.03534	1.2
314.04324	42.1
315.01544	1.3
315.04941	13.3
315.13571	2.4
317.13940	7.0
330.03836	1.8
331.04523	1.1
342.99835	0.9
343.11691	1.0
344.00131	1.4
357.06161	1.1
357.15106	1.0
359.17099	5.1
361.18378	0.9
361.22305	3.0
477.10388	100.0
478.10739	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	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75407	0.3
54.00947	0.4
55.01866	0.3
56.47313	0.3
59.01372	0.4
61.98830	0.7
63.07426	0.3
71.60042	0.6
78.95910	30.7
93.11682	0.3
96.96967	1.5
111.99700	0.3
122.00124	1.2
134.98514	0.4
140.01187	5.9
152.99614	3.2
171.00702	2.6
175.61009	0.4
196.03807	9.7
214.04871	3.1
222.18698	0.4
279.23291	100.0
280.23627	9.8
299.01862	0.5
474.59534	0.4
476.27832	34.7
477.28165	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46283	0.4
51.94836	0.4
57.20168	0.4
61.98829	0.7
70.80865	0.5
71.60165	0.6
78.95909	100.0
96.96968	8.5
140.01204	0.5
150.98137	0.5
152.99605	17.8
171.00653	17.6
199.60281	0.4
279.23264	2.1
300.02618	0.8
315.05185	0.7
402.24030	2.0
434.03857	0.6
476.27847	58.5
477.10468	1.4
477.28174	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	476.2783
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.12031	0.2
59.01371	0.3
69.44096	1.4
78.95907	11.8
96.96960	0.5
102.94328	0.2
130.09364	0.2
140.01186	2.4
140.84015	0.2
152.99585	1.5
171.00616	1.2
196.03783	1.2
205.65117	0.2
214.04861	3.0
239.27162	0.2
261.22223	0.4
279.23288	100.0
280.23651	11.0
285.04050	0.2
299.01981	0.4
300.02759	0.3
315.05176	0.5
377.19083	0.2
384.32428	0.2
476.27826	12.0
477.10464	0.7
477.28076	1.7
488.43906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94659	1.5
59.01387	11.3
60.01711	1.9
60.95016	1.8
61.62346	1.5
61.98838	44.8
67.99223	1.7
70.01865	3.5
70.02271	7.1
71.01397	16.5
71.65707	1.6
73.02923	2.3
75.30200	1.6
96.96001	7.1
108.04527	8.5
115.00394	10.1
116.05092	6.2
122.06093	1.8
126.91732	1.5
133.02979	2.4
134.02678	2.0
134.03757	11.9
136.07674	3.4
139.22867	1.7
146.02507	1.9
147.03255	9.3
148.04060	4.4
161.02460	2.6
161.04787	5.0
162.03221	12.3
162.05612	7.0
166.05060	1.8
172.07687	2.1
175.05150	15.4
199.98302	3.2
200.06044	1.9
203.04652	6.4
214.07552	4.9
215.08235	10.6
228.10483	15.2
229.09865	10.3
241.06235	2.6
242.06989	17.3
243.07486	2.3
243.11398	5.7
247.66289	1.7
256.08521	12.0
271.10892	100.0
272.11264	6.7
275.09259	32.5
276.09592	2.1
299.02029	8.8
300.02725	7.6
303.10123	3.6
303.13513	50.1
304.13870	5.6
315.05093	8.2
315.09836	44.9
316.10062	2.5
347.08563	3.2
347.12463	19.5
360.07004	10.2
361.07144	2.1
391.10336	3.0
477.10504	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.6
61.98852	5.0
67.11079	3.2
68.61604	3.6
71.01381	17.5
73.72199	3.2
79.03583	3.3
79.32397	3.4
85.02994	4.2
89.02473	5.0
96.66338	3.2
98.20647	9.1
101.02448	6.4
103.93194	3.2
121.63725	3.3
165.27402	3.3
169.53835	3.6
225.88513	3.5
277.21747	100.0
278.22025	10.7
279.23193	10.3
291.23270	5.5
301.21558	4.1
313.03537	3.6
319.22830	19.3
323.86191	3.5
349.23871	3.6
475.27130	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	475.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	37.5
59.73273	30.8
61.98819	55.1
70.13542	100.0
70.13944	63.3
74.32771	32.9
78.95911	48.3
92.98725	33.1
103.21651	37.0
111.77740	33.9
117.90499	36.3
211.13513	38.2
216.59352	36.6
277.21625	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03449	1.0
57.97557	0.9
59.01384	100.0
60.01729	0.9
60.06452	0.7
61.98837	4.8
66.53953	0.7
71.01389	20.1
71.78252	0.7
72.99312	2.9
73.02962	4.5
75.00887	1.2
83.01408	2.0
85.02959	7.0
87.00901	2.6
87.04536	2.9
89.02454	10.0
95.01396	1.3
95.05074	0.7
96.96030	3.3
99.00903	2.9
101.02455	11.9
113.02456	10.6
115.00403	3.2
119.03494	5.7
125.02477	1.6
129.17711	0.8
130.08791	0.8
133.01463	3.9
134.03761	0.8
137.02493	0.7
143.03600	1.3
143.04536	0.9
159.03049	0.9
161.04573	8.0
172.03749	0.7
173.00900	0.9
179.05685	2.3
181.12447	1.9
194.09427	2.6
203.11079	0.7
218.12029	0.8
225.11438	0.9
249.06088	1.1
267.07678	0.9
271.19168	2.0
297.07816	0.8
305.76166	0.7
308.16440	2.0
401.21802	1.2
415.23422	6.9
416.23828	1.5
433.24451	5.8
475.18051	6.8
475.28976	1.2
476.18854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.1
61.98837	4.4
63.54377	0.7
71.01388	3.4
95.05035	1.5
96.95985	3.2
98.19873	1.3
98.27838	0.7
103.20066	0.8
108.04530	2.6
110.06090	2.0
115.00349	2.7
121.05358	2.5
122.06138	10.2
124.07734	0.8
133.01405	3.6
133.02991	2.2
134.03749	4.1
134.06100	3.2
135.04524	1.3
136.07686	45.0
137.02490	1.0
137.08023	1.5
138.09206	1.1
143.74367	0.7
149.08490	0.9
150.09250	1.9
168.06502	0.8
172.07680	0.9
177.01952	1.6
178.02748	2.3
181.08714	3.9
183.10265	2.2
187.10146	0.8
190.10909	1.0
213.97220	0.8
215.08279	2.2
216.13940	7.2
228.09076	2.2
229.09850	5.7
230.10612	10.7
231.11411	3.5
243.11391	5.8
244.09639	1.0
244.12141	17.2
245.12436	1.0
255.17448	0.7
257.12982	1.5
258.13712	10.4
259.14511	100.0
260.14844	8.5
275.09314	1.8
285.12469	1.2
299.12894	2.4
302.12787	1.5
303.13510	19.9
304.13791	1.6
317.13922	2.8
346.07309	1.3
346.11691	44.1
347.12466	88.2
348.12781	7.4
361.12680	0.9
432.19525	1.3
476.18341	4.0
476.32507	6.6
477.09991	0.8
477.33578	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	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03452	2.8
59.01384	15.5
67.01880	1.1
68.99831	1.2
69.03455	1.8
69.34439	4.3
71.01385	18.6
72.99316	5.6
73.02952	2.9
75.00876	12.7
80.02678	1.2
81.03477	0.7
83.01402	1.4
85.02440	1.1
85.02956	19.1
86.03284	0.8
87.00882	6.9
87.22112	0.4
89.02452	5.3
91.04022	0.6
93.03424	0.5
95.01391	4.1
95.05032	5.1
96.96011	0.6
99.00880	8.1
101.02438	1.3
103.00364	1.7
107.05022	0.8
107.08688	0.6
109.06586	1.0
110.13020	0.4
110.40068	0.5
111.00875	1.1
113.02456	23.7
115.00385	1.6
117.01937	1.7
121.06587	0.8
129.01936	1.6
145.10185	0.6
149.04659	0.4
154.99809	0.6
157.01434	1.5
161.09723	0.5
163.11310	10.7
175.02490	2.6
181.12328	4.4
207.05167	0.8
207.10188	1.5
225.11317	21.1
226.11687	1.1
231.05110	0.7
249.06166	16.2
250.06453	0.9
267.07214	48.5
268.07587	1.9
297.03995	0.6
299.15015	5.5
300.15332	0.7
315.12527	0.7
413.18225	0.7
415.15906	0.8
457.17038	1.6
475.18201	100.0
476.18530	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	475.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03450	3.9
59.01382	40.2
60.70992	0.6
61.98835	5.3
68.99820	1.0
69.03470	1.0
70.17215	2.6
71.01387	35.1
71.07790	0.6
72.99313	6.6
73.02961	4.9
75.00876	16.3
77.63562	0.6
79.95734	0.6
81.03472	1.2
83.01386	2.5
83.05029	1.1
85.02956	31.0
86.03289	1.0
87.00880	10.8
88.98849	0.9
89.02455	10.6
90.54280	0.6
91.04015	1.3
95.01396	5.0
95.05041	4.4
96.96021	3.3
97.02972	0.7
97.06625	0.7
98.19962	1.2
98.95544	0.8
99.00879	9.7
101.02474	3.8
103.00365	2.5
107.05053	1.1
107.08736	0.6
109.06584	0.7
111.00906	1.2
113.02452	38.5
114.02764	1.2
114.05608	0.7
115.00379	6.2
117.01955	2.5
119.03456	0.7
119.05047	0.8
125.02488	0.6
127.04064	0.9
127.82070	0.6
128.03513	1.3
129.01929	2.7
129.69441	0.7
131.03534	1.0
133.01463	4.7
134.03699	0.9
135.03059	1.2
135.04466	1.4
141.09209	0.9
143.04597	1.2
149.04504	0.9
157.01466	1.0
161.04520	1.7
161.09700	1.0
163.11290	8.2
171.10274	1.5
175.02498	4.0
179.03528	1.0
181.12398	3.5
201.09636	0.7
201.11261	3.5
205.07100	0.6
207.05090	1.3
207.10280	2.8
209.11917	1.3
221.11925	0.8
225.11337	15.5
226.11681	0.9
249.06136	10.8
267.07214	71.9
268.07492	4.4
299.14978	5.6
299.18506	1.6
306.07663	0.8
343.15497	0.9
357.09717	1.8
359.16742	1.2
359.20758	12.0
360.20987	0.9
415.16068	0.8
457.16998	2.4
457.27838	1.0
475.18173	100.0
476.18530	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	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23586	0.6
59.01381	35.9
70.73375	1.3
70.73734	1.1
71.01392	4.4
73.02929	0.7
79.94374	0.5
80.17739	0.6
89.02439	1.3
96.96000	1.5
107.24058	0.6
109.02953	1.3
112.24913	0.6
113.02488	0.6
115.00369	8.3
119.03468	0.6
121.02926	1.7
127.93719	0.6
130.06178	0.6
133.01437	14.7
134.03743	1.5
135.04543	9.0
145.02948	0.8
146.03743	34.2
147.04225	1.7
147.48668	0.6
149.06084	2.1
161.06076	13.5
163.03978	0.9
164.04803	22.7
165.05157	1.5
171.07745	1.1
175.04012	0.9
179.03731	6.1
179.07138	100.0
180.07484	5.3
193.05084	1.4
205.05022	1.1
237.01941	0.7
253.08731	1.0
271.09601	3.5
280.20496	0.6
297.07495	1.1
297.58112	0.6
303.45132	0.6
315.08798	2.5
336.13678	0.6
359.07697	6.1
359.11584	0.9
366.52396	0.7
367.49594	0.7
389.11261	0.9
415.15808	0.8
432.19141	1.5
476.21667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.5
61.98835	100.0
62.46661	1.1
64.19699	0.9
69.96595	0.9
71.60237	1.5
74.75115	0.9
75.00862	1.0
78.95916	1.9
116.08463	0.9
117.35665	1.0
121.22594	0.8
151.18457	1.0
162.14117	1.3
204.72327	1.0
224.42610	0.9
277.21616	2.2
347.19629	1.1
369.67426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33699	0.3
59.01382	0.7
71.37330	0.5
75.67528	0.3
78.95907	9.6
96.68584	0.3
140.01196	2.1
152.99548	1.3
171.00594	0.5
173.52405	0.3
176.40265	0.3
196.03752	1.2
214.04851	2.9
259.20523	0.4
277.21719	100.0
278.22073	9.6
278.24332	0.2
293.30151	0.3
317.07361	0.3
474.26285	9.1
474.32773	0.7
475.26501	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
61.98822	0.9
62.96389	0.6
70.08504	1.3
70.08917	2.0
78.95908	100.0
90.15699	0.7
96.96971	6.1
122.00163	0.6
122.98553	0.7
140.01183	5.9
152.99600	15.5
171.00647	14.0
196.03806	13.1
214.04857	2.4
240.28073	0.7
277.21725	98.6
278.19263	1.0
278.22073	9.8
300.99438	0.7
474.26273	65.7
475.26663	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	474.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33478	0.6
54.09783	0.7
59.01372	2.3
61.98836	100.0
62.21652	0.9
63.64449	0.7
70.04780	4.0
71.01363	0.8
77.78951	0.8
96.96011	2.5
98.20509	1.5
107.62685	0.7
147.40964	0.8
148.05313	23.3
149.05600	1.1
150.00354	0.8
163.07661	31.0
164.08017	1.4
214.13525	0.9
303.13196	0.8
388.13440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98832	62.7
63.95416	0.4
70.91245	0.6
76.46554	0.3
78.95908	100.0
96.96967	8.5
101.66100	0.3
101.83240	0.3
106.31557	0.3
140.01190	0.6
144.32869	0.3
148.45284	0.3
152.99593	16.6
163.77386	0.3
171.00648	17.1
193.43517	0.3
214.04828	0.5
249.14859	0.3
277.21707	4.3
278.22098	0.4
386.55865	0.3
400.22415	1.6
436.06943	0.3
474.26260	54.9
475.26691	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	474.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.9
61.98834	100.0
69.30981	3.9
69.31398	2.5
69.66454	0.6
78.95911	17.1
95.73746	0.6
140.01178	4.7
152.99590	1.7
190.08322	0.7
196.03819	7.3
214.04887	2.4
240.68471	0.7
277.21735	56.9
278.22076	6.5
474.26276	19.1
475.26770	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	473.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03428	1.2
57.97556	1.1
59.01383	58.8
61.98815	2.5
71.01386	34.7
71.56108	1.6
72.99294	3.0
73.02950	24.3
75.08743	0.8
83.01389	7.7
85.02959	7.3
86.02467	0.8
87.00874	3.7
88.04018	1.6
89.02453	11.5
95.01376	1.7
96.96005	3.2
97.02972	1.6
97.11925	0.8
98.95606	1.0
99.00916	1.3
101.02451	27.1
113.02463	11.3
118.87791	1.0
119.03538	4.2
122.85288	0.9
125.02428	1.2
143.03485	1.4
155.10759	2.5
160.02730	0.8
161.04582	1.9
163.91319	0.8
185.01851	1.1
193.08574	0.9
250.15506	2.0
251.20189	23.9
252.20499	2.1
269.21228	5.0
322.17627	1.1
387.15393	1.6
404.93155	0.9
413.25516	15.5
414.25781	2.4
429.16382	1.4
431.26517	26.7
432.26892	3.0
473.27579	100.0
474.27982	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	473.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	1.1
60.98156	1.0
70.27319	3.0
70.53333	1.0
121.06605	10.3
133.06619	2.4
137.50612	1.0
149.09724	100.0
150.10039	5.0
152.42838	0.9
163.11386	3.3
205.16006	6.5
244.90747	1.0
250.55362	0.9
250.58318	1.0
263.08917	0.9
297.18542	4.8
311.20197	25.8
311.23624	1.6
312.20688	3.2
323.20187	21.3
324.20474	2.1
355.02731	1.1
457.25565	2.9
473.30652	94.4
474.31088	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	473.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18398	0.3
59.01389	2.1
61.98833	0.8
68.68749	0.3
70.95773	0.9
71.01390	8.6
90.88707	0.3
96.96031	0.6
115.00381	8.0
126.79184	0.4
127.32874	0.3
133.01448	0.6
139.11285	0.5
141.12933	0.7
179.03412	0.4
185.11803	3.3
188.00720	0.4
249.09924	0.4
297.24316	1.5
309.24393	1.3
321.24448	0.4
325.23868	1.1
327.25421	13.0
328.25684	1.3
339.25406	2.8
355.24902	0.7
356.54739	0.4
357.26477	100.0
358.26828	10.4
404.03690	0.4
404.50003	0.4
473.27487	2.1
479.42572	0.4
480.42139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03478	0.4
57.97561	0.5
59.01385	100.0
60.01724	0.6
61.98847	0.5
64.87335	0.3
70.64223	0.8
70.64567	0.5
71.01387	6.2
72.99310	0.8
73.02967	0.7
75.00870	2.5
79.95763	1.3
80.96516	0.6
85.02952	3.5
87.00902	1.5
89.02460	1.7
95.01395	0.6
96.96021	21.4
99.00903	1.5
101.02478	1.4
103.00379	2.1
112.35758	0.3
113.02454	5.3
115.00364	1.7
119.05017	1.5
121.68305	0.3
129.01991	0.5
133.01453	1.5
133.03020	0.5
134.03778	1.0
135.04471	0.3
137.02458	0.4
149.06195	0.4
154.99924	0.4
161.04666	0.4
163.04068	1.4
164.98668	1.3
169.34230	0.4
173.00949	0.4
179.10760	1.6
180.98050	0.7
193.05064	0.8
222.73659	0.3
241.00334	1.4
249.06187	2.0
267.07211	9.5
268.07645	0.5
357.09915	0.7
357.19577	0.4
369.12497	0.5
387.13312	21.5
388.13773	1.8
399.14682	0.4
429.13794	8.6
430.14487	0.7
473.13785	7.7
474.13913	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97560	0.5
59.01381	100.0
60.01731	1.0
61.98851	0.7
68.50193	0.5
68.67825	0.4
71.01386	5.1
72.99326	0.9
73.02961	1.0
75.00869	2.1
79.95752	1.5
80.96517	0.5
85.02943	2.9
87.00887	1.7
89.02473	1.8
95.01418	1.2
96.96014	22.7
99.00916	1.2
101.02463	0.9
103.00385	2.6
113.02457	3.5
115.00381	0.8
116.05115	0.4
119.05047	1.6
133.01483	1.7
134.03757	0.7
142.85677	0.4
154.52151	0.4
158.77472	0.4
161.04547	0.5
163.04028	0.9
163.34113	0.4
164.98659	1.1
173.01027	0.6
175.42293	0.4
179.10767	1.4
179.84485	0.4
241.00308	1.1
249.06235	1.8
267.07169	10.3
310.02426	0.5
349.67041	0.4
357.09943	1.0
357.19235	0.5
387.13321	21.6
388.13611	2.5
429.13998	9.2
430.14850	1.6
473.12775	10.9
474.13620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2435
Annotation	Cytochalasin G
Peak:m/z	Relative Intensity
52.10698	0.8
58.02977	2.9
59.01387	17.5
61.98835	4.8
71.01383	10.4
71.60239	1.2
72.99311	1.1
73.04071	2.3
74.02489	1.1
79.21542	0.7
79.95737	1.5
84.00910	1.4
85.02953	2.4
87.00867	1.4
89.02438	1.4
96.96021	16.3
99.05663	4.3
101.02458	1.9
108.02186	0.9
110.01233	0.9
115.00366	3.1
126.09250	1.1
129.10318	1.4
130.08752	26.2
131.09027	1.4
133.01491	1.5
133.02971	2.2
134.03752	5.2
135.04536	8.4
139.08737	1.0
141.06712	4.7
141.10329	2.1
143.10820	1.4
143.11911	17.1
147.05960	2.4
148.04015	1.1
153.10297	0.9
161.02426	0.8
162.03241	0.7
162.83765	0.7
169.09792	6.2
178.02638	1.1
178.08760	1.1
179.03488	10.4
180.98172	0.9
187.10912	7.9
189.07033	15.8
191.11748	0.9
225.11174	2.9
231.10226	2.8
256.20322	11.3
257.13031	1.8
257.20425	0.8
260.14536	1.0
266.18774	1.5
275.09280	10.6
282.18213	1.3
284.14468	1.1
300.19305	1.7
302.15305	0.9
309.74225	0.8
311.10358	1.0
339.23834	2.6
347.66968	0.8
357.10117	1.7
369.12552	4.2
370.12671	0.8
387.13312	5.3
387.24481	1.9
421.75623	0.8
429.14276	3.3
431.23315	1.2
473.16867	7.6
473.24313	100.0
474.17773	1.4
474.24545	14.7
474.30765	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	70.3
71.01392	22.0
71.05032	3.5
73.02955	5.2
79.95741	8.0
81.44291	2.0
85.02963	7.5
85.99816	2.5
96.96016	100.0
97.41213	2.2
98.19746	5.6
101.02455	5.6
103.00364	6.7
113.02449	2.7
115.00385	14.7
119.05058	2.9
128.03545	3.2
133.01453	24.0
134.89444	3.1
161.04524	4.6
164.98654	5.4
186.50804	2.4
187.07628	2.8
189.12929	4.9
197.11858	4.3
203.05556	3.7
207.13969	2.9
208.99573	2.8
209.47281	2.7
225.14883	2.4
229.94054	3.5
241.10895	6.4
248.88290	2.6
314.14130	2.9
357.09695	3.8
358.71674	2.5
387.13333	89.4
388.13715	8.0
406.60110	2.9
407.09344	3.3
429.14325	36.1
473.13092	27.0
473.28296	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	473.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98813	1.7
62.50169	0.9
71.08786	2.6
103.71929	0.8
115.97172	0.9
128.30611	0.9
131.01234	0.8
144.12140	0.8
163.38075	0.9
357.16940	1.1
359.12387	0.9
382.16800	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.1
57.03450	3.2
59.01383	100.0
68.99797	1.5
69.03465	2.0
69.47525	8.3
71.01389	31.5
72.99310	7.8
73.02962	6.1
75.00880	20.2
81.03465	1.0
83.01389	2.4
85.02955	27.0
87.00877	7.6
89.02441	7.7
91.04012	1.9
93.03457	1.8
95.01402	5.8
96.96021	14.8
99.00873	13.4
100.00419	1.4
101.02452	3.7
103.00385	4.5
109.02936	1.6
113.02450	32.0
115.00378	16.8
117.01961	3.3
119.05055	3.7
124.30447	0.9
128.03540	1.1
129.01955	1.4
131.03517	1.0
132.05843	1.3
133.01433	29.4
134.03725	1.8
135.04599	1.3
135.11787	7.4
158.03735	2.3
159.04520	3.6
160.91339	1.0
161.02426	1.0
161.04684	1.2
161.09740	3.1
163.03964	2.4
174.03284	1.1
175.02472	4.4
179.03526	1.3
179.10786	26.2
180.11182	1.4
183.28546	0.9
191.07104	1.8
193.05051	2.3
203.03503	2.9
205.07167	1.6
212.04942	1.2
223.09755	2.6
231.05005	3.1
236.20256	1.1
247.06126	1.4
249.06155	28.5
250.06548	2.1
267.07190	27.4
267.09891	1.9
268.07681	1.3
269.11777	5.5
295.09772	2.0
297.13440	4.5
313.10931	2.9
339.08728	3.9
357.09735	9.0
387.13419	10.9
388.13760	1.2
429.17856	38.0
430.18243	4.7
455.15771	1.8
473.16730	67.4
474.16980	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
57.03448	4.2
59.01383	63.3
61.24718	1.3
61.41146	1.3
63.76935	1.1
64.77399	1.2
64.81648	1.2
67.01906	2.0
68.99814	3.8
69.03466	2.5
70.84292	3.0
71.01389	37.1
72.99315	11.0
73.02958	3.8
73.47063	1.3
74.02491	1.4
75.00882	35.6
81.03405	2.0
83.01402	2.9
85.02959	36.6
87.00893	10.5
89.02456	11.3
91.03999	2.3
93.03465	2.6
94.92947	1.2
95.01395	8.2
96.96007	3.9
99.00893	20.0
99.58205	1.1
101.02450	4.2
103.00401	2.5
113.02462	47.5
115.00370	11.4
117.01947	5.2
118.35201	1.2
119.05048	4.1
121.02964	1.8
129.01952	4.1
133.01454	7.7
134.03732	2.6
135.11826	12.8
161.09702	2.8
162.48041	1.4
163.04022	3.4
172.65421	1.5
173.00922	1.8
175.02550	5.9
179.10785	48.3
180.11070	2.4
193.05087	1.9
200.10388	1.3
231.05074	6.2
249.06158	79.6
250.06470	3.7
267.07196	27.6
267.09848	2.1
297.13370	1.7
326.26175	1.2
357.09879	7.3
387.12750	1.3
411.16644	3.2
429.11652	1.8
429.17685	85.1
430.18051	11.0
473.16684	100.0
474.17047	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	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40541	0.7
51.24267	0.7
52.53195	0.7
55.01879	1.0
57.03448	4.4
59.01382	28.6
61.98813	1.0
63.91345	0.7
67.01900	1.4
67.77355	0.7
68.71372	0.7
68.99805	1.6
69.03442	2.2
70.22254	3.3
71.01385	34.2
71.20022	0.7
72.99313	6.2
73.02939	2.7
75.00456	1.2
75.00877	22.0
81.03438	1.5
81.83527	0.8
83.01379	2.3
85.02955	34.7
87.00388	0.9
87.00882	11.4
88.89944	0.8
89.02455	8.1
91.04005	0.8
93.03452	1.9
95.01403	8.0
96.96033	4.6
99.00885	15.6
99.04494	1.0
101.02428	1.6
103.00359	3.3
111.00867	1.1
112.01661	1.4
113.02457	42.3
114.02771	1.1
115.00387	6.3
115.04049	0.9
117.01924	2.9
119.05039	3.6
119.48455	0.8
127.04028	0.7
129.01929	3.8
131.03500	1.0
133.01402	5.3
133.10242	2.1
134.03743	2.8
135.11804	7.1
157.01410	1.4
161.09720	3.9
163.03964	2.1
175.02452	3.4
179.10780	23.5
180.11116	1.7
193.05031	1.8
205.07153	2.1
206.89421	0.8
207.05095	1.5
223.09856	1.7
231.05174	2.2
242.70883	0.8
249.06143	37.4
250.06393	2.0
267.07208	100.0
268.03729	1.3
268.07526	5.1
278.21368	0.7
293.08044	0.9
297.13507	1.5
339.08902	0.8
357.09766	3.7
387.13391	3.7
411.16724	2.4
429.17700	45.6
430.18179	5.7
455.15628	0.9
473.16702	38.9
474.17010	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40541	0.7
51.24267	0.7
52.53195	0.7
55.01879	1.0
57.03448	4.4
59.01382	28.6
61.98813	1.0
63.91345	0.7
67.01900	1.4
67.77355	0.7
68.71372	0.7
68.99805	1.6
69.03442	2.2
70.22254	3.3
71.01385	34.2
71.20022	0.7
72.99313	6.2
73.02939	2.7
75.00456	1.2
75.00877	22.0
81.03438	1.5
81.83527	0.8
83.01379	2.3
85.02955	34.7
87.00388	0.9
87.00882	11.4
88.89944	0.8
89.02455	8.1
91.04005	0.8
93.03452	1.9
95.01403	8.0
96.96033	4.6
99.00885	15.6
99.04494	1.0
101.02428	1.6
103.00359	3.3
111.00867	1.1
112.01661	1.4
113.02457	42.3
114.02771	1.1
115.00387	6.3
115.04049	0.9
117.01924	2.9
119.05039	3.6
119.48455	0.8
127.04028	0.7
129.01929	3.8
131.03500	1.0
133.01402	5.3
133.10242	2.1
134.03743	2.8
135.11804	7.1
157.01410	1.4
161.09720	3.9
163.03964	2.1
175.02452	3.4
179.10780	23.5
180.11116	1.7
193.05031	1.8
205.07153	2.1
206.89421	0.8
207.05095	1.5
223.09856	1.7
231.05174	2.2
242.70883	0.8
249.06143	37.4
250.06393	2.0
267.07208	100.0
268.03729	1.3
268.07526	5.1
278.21368	0.7
293.08044	0.9
297.13507	1.5
339.08902	0.8
357.09766	3.7
387.13391	3.7
411.16724	2.4
429.17700	45.6
430.18179	5.7
455.15628	0.9
473.16702	38.9
474.17010	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	472.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.6
59.01383	4.3
61.98830	1.4
68.01417	0.5
68.99823	14.9
69.03474	0.5
69.27781	1.7
69.28204	1.7
70.02974	0.5
71.01392	3.8
71.87679	0.3
74.42383	0.3
80.05089	0.7
81.02192	0.7
82.02973	0.7
83.00129	1.8
83.01392	0.5
83.05045	1.1
84.00928	0.5
92.05080	0.9
96.00919	0.5
96.95988	0.6
96.99319	7.5
97.06559	0.7
97.22842	0.3
99.00907	3.3
99.27548	0.3
99.39476	0.3
102.82843	0.3
106.06638	0.5
107.05035	0.4
108.04557	0.6
109.01704	10.8
110.02490	0.7
112.00369	0.4
113.01167	1.7
114.01972	0.9
115.00378	1.4
116.05074	6.2
122.06132	0.7
123.08234	0.4
123.47455	0.4
124.00430	3.0
130.06546	0.4
133.01454	0.5
133.02997	0.4
134.03735	0.9
134.06139	0.8
136.04056	0.8
137.09750	0.6
140.03526	1.5
146.06120	0.5
147.08163	0.3
148.04057	0.4
149.04834	0.5
149.09756	0.5
150.03226	0.4
150.05559	0.4
158.06068	0.5
162.03317	0.5
172.07646	0.4
173.03262	0.8
178.05107	1.0
178.49663	0.4
184.02522	0.5
186.09309	0.5
188.07156	0.5
190.05110	3.7
199.05052	0.4
200.05693	0.8
212.11057	0.4
228.06728	0.7
230.08217	1.2
231.10474	0.4
232.82391	0.3
238.12236	0.5
250.07162	2.2
264.10327	1.2
275.09213	2.9
288.08862	0.8
294.18536	0.4
308.09259	0.6
316.11899	0.9
338.21274	0.8
354.17328	0.5
366.20782	0.7
384.21768	0.9
394.20209	1.3
412.16699	0.7
412.21313	10.7
413.21640	1.7
472.23431	100.0
473.23746	13.4
488.20575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.3
55.92512	1.3
57.03451	1.7
58.00566	1.2
59.01385	65.6
59.71917	1.1
61.98827	3.2
69.03451	1.4
70.13479	4.0
70.13901	2.4
71.01390	40.6
72.99306	5.8
73.02949	24.7
75.01429	1.3
79.95738	4.4
80.96509	2.2
83.01406	7.8
85.02961	7.7
87.00877	5.3
89.02462	9.9
95.01402	2.2
95.95245	3.8
96.96019	79.8
97.95939	1.5
98.20570	1.5
98.95593	33.2
98.96424	6.5
99.00854	2.2
100.48915	1.2
101.02457	22.4
103.00387	5.9
107.97066	1.2
113.02460	12.3
115.00377	18.0
116.05025	1.2
119.03513	2.3
123.08186	10.9
125.02413	1.5
133.01447	37.0
161.04512	2.4
181.93723	4.1
187.07620	8.0
195.13910	3.2
211.13379	4.0
241.00356	1.3
249.18590	11.6
250.19006	2.2
267.19598	5.5
291.19742	3.1
311.16525	4.1
339.31564	1.7
355.15521	2.6
383.13715	4.1
384.14240	2.5
385.14026	48.8
386.03830	2.0
386.14526	1.6
409.04886	1.6
411.23923	12.5
427.15268	20.8
428.15305	2.6
429.24942	31.7
430.25281	4.5
471.15475	16.1
471.25992	100.0
472.26315	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	472.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01379	28.2
60.01705	1.3
61.98836	8.4
71.01376	25.1
71.17691	1.1
71.60822	1.6
72.00344	1.3
73.02959	2.3
79.95717	1.3
83.01394	2.0
84.31654	1.1
85.02963	1.5
87.00892	2.1
96.87355	1.4
96.95369	1.6
96.96011	33.1
100.32496	1.2
101.02454	2.2
103.00379	2.7
109.18623	1.0
111.00900	7.7
112.78870	1.2
113.02438	3.7
115.00374	15.8
126.99540	5.3
128.03513	3.2
133.01485	9.2
133.02960	5.3
134.03726	2.3
135.04503	5.3
143.04620	2.8
173.00948	1.7
177.01883	3.4
179.03482	3.2
179.10709	2.6
180.11102	2.4
180.98198	1.6
181.05237	1.5
182.03618	1.4
193.05183	2.5
196.07651	2.5
196.26698	1.2
197.02376	2.8
208.04027	4.7
208.07736	5.9
209.04701	2.9
222.05461	1.8
224.03574	11.8
224.07150	15.3
225.05641	2.5
225.07587	1.7
236.03523	9.9
236.07222	2.2
237.04289	27.4
238.04997	12.1
241.00163	2.0
251.05942	8.6
252.06657	28.5
253.07263	4.0
261.08499	1.3
265.03824	8.1
266.04477	7.5
279.05374	1.6
280.06122	15.3
281.06454	1.7
284.05676	1.9
296.05603	13.1
297.06360	14.7
298.07001	2.6
312.08658	4.1
324.05148	10.0
356.07755	100.0
357.07916	8.2
369.12759	1.6
386.12015	1.4
387.13348	22.2
409.19171	1.2
429.14398	10.0
472.19821	1.5
473.12369	5.9
473.24167	3.6
497.11743	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23900	0.4
55.01888	0.5
57.03448	1.5
57.32757	0.4
58.00584	0.6
59.01383	100.0
60.01719	1.3
61.98832	1.8
67.12486	0.4
68.99820	3.2
69.03432	0.6
70.17922	1.8
70.33092	0.4
71.01387	16.4
72.99325	1.2
73.02953	4.8
75.00859	0.4
78.95879	0.6
79.95761	0.7
83.00184	0.5
83.01397	2.2
83.05053	0.7
85.02959	4.5
87.00901	1.8
87.04522	1.3
89.02454	6.5
95.01406	1.1
96.96015	13.2
96.99311	1.5
97.02991	0.6
98.19907	0.5
99.00901	1.9
99.05647	0.6
101.02451	8.9
101.06112	1.5
106.18364	0.5
108.04639	0.5
109.01700	2.6
111.00909	0.9
113.02454	6.2
115.00386	2.1
119.03510	3.3
124.00454	0.7
124.01702	0.5
125.02454	1.5
128.03607	0.5
131.03493	0.5
133.01483	1.6
143.03557	0.9
143.04640	1.8
143.10797	0.5
161.04585	3.1
179.05728	1.3
198.37985	0.4
205.40288	0.4
213.15050	0.5
241.00262	6.1
249.14983	0.6
262.08661	0.5
264.09775	0.6
267.19702	1.1
278.12061	0.7
279.12317	1.9
283.01306	2.2
315.18124	0.9
327.00116	0.6
327.20126	0.6
355.13824	0.9
385.11749	2.9
393.22940	1.0
411.23792	2.9
412.20999	2.4
427.12500	2.0
429.24820	3.5
430.25531	0.7
471.05988	0.8
471.11624	3.1
471.25687	2.8
471.35330	0.5
472.23392	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33994	0.4
53.83881	0.5
53.99076	0.4
57.03456	0.8
59.01383	100.0
60.01722	0.8
61.98845	0.9
69.66492	3.4
71.01389	6.8
72.99347	0.8
78.95927	0.9
85.02956	1.2
89.02473	1.5
96.95992	2.3
101.02462	1.7
113.02485	1.6
115.00370	4.9
116.00772	0.8
124.81859	0.4
132.04567	1.4
133.01443	9.9
133.03053	0.6
134.01802	0.7
134.03735	0.7
135.04558	1.3
145.03047	0.6
145.06227	0.8
147.50192	0.5
152.99615	1.6
162.89513	0.6
167.01740	3.4
168.02133	0.6
183.14009	0.8
192.99652	3.4
193.99918	1.2
196.58554	0.5
203.05717	1.2
207.13927	4.8
211.13441	5.9
250.09050	0.5
385.12051	1.0
427.13318	0.7
471.21735	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	471.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40608	6.9
50.99656	7.7
56.45723	8.6
58.72454	8.0
59.01382	76.8
59.58946	7.0
61.98839	18.5
70.91728	18.3
70.92069	12.1
71.01389	27.4
73.02982	14.2
88.61823	7.1
89.02451	9.7
91.66203	8.0
97.30466	7.8
101.02387	13.0
113.02438	19.8
135.00345	8.6
161.04539	7.6
170.45615	8.6
185.81026	7.6
212.28093	8.8
237.21500	10.3
245.19077	22.6
249.18608	100.0
250.83479	8.3
263.20053	46.9
273.18594	10.8
291.19678	24.3
351.31955	8.3
471.34665	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	471.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
57.97569	0.9
59.01385	100.0
60.01728	1.2
61.98828	0.6
70.17434	0.8
70.17780	1.2
71.01388	4.1
72.99335	0.4
73.02951	3.1
80.76695	0.4
83.01411	0.7
83.05070	0.4
85.02993	0.6
87.00900	0.6
89.02500	0.7
94.34319	0.4
96.96023	2.0
98.19890	0.5
98.95580	1.8
100.96066	0.6
101.02448	2.6
113.02478	1.7
115.00414	1.4
122.90752	0.3
128.03612	1.4
133.01485	0.9
161.04584	0.5
175.02553	0.8
176.67505	0.4
177.09335	0.6
181.94266	0.4
188.42940	0.4
210.89902	0.4
211.13599	0.4
249.15063	0.6
283.17395	0.6
291.19666	0.6
343.19608	1.3
355.15436	0.6
383.12402	0.5
385.12637	2.1
411.19904	0.7
427.14243	1.1
429.21439	1.2
471.22824	2.6
472.23587	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	471.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35132	0.3
57.03453	1.2
57.16829	0.3
59.01382	100.0
60.01730	1.4
61.98848	0.4
69.57538	1.0
69.57960	0.9
71.01385	3.3
73.02959	0.4
83.45879	0.2
85.02964	0.9
88.26399	0.2
92.30364	0.3
96.96000	1.2
98.20596	0.6
101.02479	0.5
105.51206	0.2
113.02497	0.4
115.00409	0.6
132.04562	0.4
133.01462	1.0
137.09727	0.4
161.04564	0.4
192.11618	0.9
203.05620	1.9
207.13918	5.4
211.13445	1.9
249.15149	0.5
309.09711	0.5
320.11960	0.3
385.11630	1.2
399.53214	0.3
427.12909	0.5
442.02402	0.3
471.15326	0.3
471.21915	1.3
472.23553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.5
61.98822	1.4
63.66590	0.8
69.03436	1.0
69.26258	6.0
69.26663	1.7
70.23930	0.7
71.01386	21.0
72.99306	3.5
87.00887	3.0
89.02452	2.7
94.98116	0.8
95.05020	1.5
96.96017	1.4
97.06629	1.1
101.02454	1.3
105.07105	3.9
109.02881	0.9
115.00378	55.2
116.00742	1.1
116.05034	1.9
123.08170	23.8
133.01437	100.0
134.01776	1.8
135.08173	1.3
140.64696	0.7
146.03770	0.8
147.04527	2.2
150.51537	0.9
159.04454	1.8
165.00136	0.9
172.05284	1.8
175.02478	10.9
175.07709	1.3
176.02945	0.9
177.09195	2.4
185.06168	1.0
187.07654	25.6
188.07890	2.3
201.09161	2.1
213.09178	1.3
239.07085	1.1
267.09988	0.7
282.12607	1.1
299.37030	0.9
311.09299	1.2
311.16562	8.8
355.15488	15.7
356.15561	1.5
373.11688	0.9
415.80151	0.8
471.26419	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84054	0.3
59.01383	5.2
65.65923	0.3
71.01386	17.9
71.60416	0.3
71.60818	0.4
72.99311	3.5
79.95750	1.5
80.96548	0.7
85.02950	0.5
87.00890	1.1
89.02441	2.3
90.48151	0.3
96.96020	24.7
101.02461	0.9
103.00391	2.6
109.03015	0.4
115.00380	46.3
116.00716	0.8
118.96916	0.3
121.06606	0.7
123.08235	0.9
125.09747	1.4
133.01437	100.0
134.01781	1.9
152.98711	0.4
159.04475	0.8
164.98579	0.8
171.10304	0.7
172.05370	0.7
175.02513	0.7
178.02672	0.4
179.03525	0.6
180.10587	0.3
180.98230	0.4
181.12259	0.5
185.06081	4.0
186.06863	0.7
187.07697	2.9
196.05371	0.4
197.06038	0.7
198.06790	0.6
200.04965	0.4
201.05557	0.7
209.06165	0.6
211.04039	0.5
211.07669	1.3
213.05594	0.8
213.09181	0.7
214.06279	0.4
215.07201	1.7
218.05690	0.4
224.04726	0.7
225.05534	0.7
228.07841	1.6
235.07617	0.5
239.07181	2.6
239.10800	0.9
241.00163	0.8
244.44949	0.3
252.11641	0.4
253.08763	1.5
253.12308	1.1
264.11505	0.6
267.10300	0.7
267.13943	1.7
268.11224	0.4
282.12677	1.4
283.17142	0.7
293.15533	1.8
309.20590	0.4
311.16528	19.9
312.16922	2.2
355.15506	5.8
356.15775	0.9
367.14105	0.8
385.15366	25.8
386.15775	2.4
427.16418	10.7
428.16803	1.0
429.24896	0.4
471.15430	9.1
471.26093	0.7
472.15854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	0.9
59.01385	15.8
61.98815	1.7
69.03448	0.8
69.35370	2.4
69.35806	2.3
69.47005	0.5
71.01388	23.0
72.99306	3.7
73.02961	2.3
75.00874	0.5
80.02712	0.6
83.01408	1.4
85.02981	1.1
87.00879	1.0
89.02435	4.1
95.01418	0.7
95.04982	0.7
97.06591	1.6
101.02460	2.4
105.07111	1.7
107.05035	0.6
113.02456	1.0
115.00379	52.5
116.00730	1.8
116.05079	1.5
119.03497	0.7
123.08170	24.8
124.08470	0.9
133.01440	100.0
134.01758	1.7
143.04579	0.7
146.03746	0.8
147.04529	1.0
158.03720	1.2
159.04535	1.5
171.10297	0.8
172.05319	1.6
173.06041	0.7
185.06099	0.7
186.06873	1.0
187.07652	23.6
188.08029	1.0
201.09193	2.0
203.10474	0.5
204.04135	0.6
213.09256	2.9
225.11304	0.8
229.05267	0.6
237.09251	0.6
239.07109	1.0
239.10805	1.0
249.18645	0.6
264.10287	2.1
267.16089	0.9
282.12589	1.2
293.15497	0.7
294.16364	0.7
311.16541	8.3
355.15472	6.9
356.15799	1.1
429.25275	0.9
471.16357	0.7
471.21500	0.9
471.26117	3.0
471.34058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	8.1
61.98824	2.6
64.19248	1.4
67.80049	1.5
71.01389	57.7
71.60481	1.7
94.53787	1.5
115.00374	19.8
116.05054	7.0
119.04957	2.0
133.02950	4.2
134.03754	75.1
135.04541	41.9
159.11803	2.1
161.10022	1.6
162.83904	4.0
163.04091	1.7
177.12860	22.0
178.02670	5.3
178.13226	2.9
179.03543	2.8
227.75639	1.9
247.20743	1.9
303.48917	1.6
309.20752	6.5
355.15530	100.0
356.15753	12.3
471.34900	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	471.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77368	1.9
59.01377	9.8
61.98837	8.7
71.01386	56.8
71.60477	3.2
83.01357	2.5
88.98808	2.4
99.00912	2.9
102.97409	2.2
113.99627	3.5
115.00378	23.0
116.05085	13.3
127.00417	3.3
133.02995	9.3
134.03749	77.6
135.04550	44.0
137.02452	7.2
139.04005	3.6
154.06639	2.5
163.04033	4.3
177.01900	14.6
177.12857	18.8
178.02725	36.3
179.03485	14.7
200.07257	3.8
244.06314	2.4
251.47702	2.1
304.92554	2.3
314.11740	2.2
332.32010	2.5
340.90601	2.9
355.15518	100.0
356.15787	12.7
403.22278	2.4
410.34042	2.0
468.54288	2.0
471.34705	5.7
487.91699	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	471.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40042	0.4
57.19470	0.5
59.01092	0.9
59.01384	13.5
59.51201	0.5
61.98831	1.2
70.74306	1.0
71.01389	1.3
73.02953	1.0
76.97042	0.5
79.95746	5.1
80.96555	2.6
85.02975	1.2
87.71833	0.5
94.57744	0.5
96.96018	99.6
101.02449	1.9
103.00381	8.5
113.02453	0.6
115.54546	0.4
120.72092	0.5
121.02997	3.1
138.97176	0.6
150.97112	0.8
152.98634	0.6
164.98671	2.4
179.03427	0.6
180.98123	1.8
202.03683	0.5
241.00250	3.0
312.99933	0.5
313.07193	0.7
367.14304	1.8
385.15390	100.0
386.15738	9.0
427.16449	40.3
428.16821	3.6
453.14404	1.4
471.15411	25.6
472.15842	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	471.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40638	0.5
59.01379	12.3
61.98845	0.6
69.03412	0.6
71.01385	20.7
71.59890	0.6
72.99320	3.4
73.02965	0.8
80.19928	0.5
85.02940	1.5
87.00885	0.8
89.02448	3.5
93.03342	0.5
96.96033	1.0
97.02940	0.5
97.06608	1.1
99.00851	0.6
101.02451	1.8
105.07092	2.0
113.02480	0.7
115.00378	49.4
116.00761	1.2
116.01673	0.5
116.05070	0.7
119.03494	0.7
121.06657	0.5
123.08167	25.5
124.08564	1.3
133.01437	100.0
134.01797	1.8
143.04636	1.1
147.04489	0.9
158.03787	0.5
159.04518	1.7
172.05344	1.8
173.06108	0.9
177.09239	0.6
185.06105	0.6
186.06754	0.6
187.07649	25.6
188.08003	1.8
201.09224	2.5
204.04271	0.6
213.09200	0.9
239.07172	0.5
248.50899	0.5
253.12378	0.9
263.09180	0.9
267.10510	0.6
279.12131	0.8
281.17584	1.0
282.12653	1.5
297.65060	0.5
306.09891	0.8
311.16550	8.8
312.16849	1.2
348.23502	0.5
355.15546	9.2
411.24057	0.6
429.25211	1.0
471.25333	1.8
472.24060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24640	0.4
59.01373	1.1
63.55584	0.4
71.01386	16.1
71.59991	0.8
72.99306	1.5
96.96010	2.2
115.00372	6.0
121.02946	0.8
128.03525	1.1
133.01440	1.9
134.03749	40.9
135.04095	1.5
137.02446	3.6
139.04031	1.3
149.06085	14.6
150.06410	0.7
163.03987	0.7
178.02719	17.8
179.03065	0.8
193.05063	100.0
194.05392	5.0
267.06555	0.5
355.10406	3.8
381.79648	0.7
385.12021	0.9
471.26041	0.7
498.28259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01424	0.4
67.86031	0.4
70.73605	0.7
70.73936	0.6
71.01388	6.6
76.63641	0.3
82.16448	0.4
85.39048	0.4
96.96030	0.5
114.01917	0.4
115.00381	7.0
121.02989	0.5
133.01466	1.0
133.02942	0.8
134.03751	36.7
135.04141	1.3
137.02455	5.6
139.04007	1.9
149.06093	13.0
149.07230	0.9
150.03156	0.6
150.06412	0.7
178.02727	26.0
179.03088	0.9
193.05067	100.0
194.05409	5.8
219.06609	0.5
249.07709	0.5
299.98575	0.4
302.24823	0.4
311.09454	0.6
355.10370	16.9
356.10574	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.3
69.39262	3.7
69.39687	3.5
71.01385	39.3
72.01736	1.0
75.00891	3.1
84.80316	0.8
89.02443	0.9
98.19813	2.0
115.00380	44.0
116.00702	1.3
116.05067	7.4
122.00162	0.8
133.01451	3.7
133.02937	1.5
134.03712	1.7
142.06624	3.0
145.02940	1.1
147.04440	1.2
246.09235	5.7
261.07996	1.3
262.08722	58.1
263.09476	56.5
263.12384	1.5
264.09814	6.0
274.00647	0.9
278.11865	100.0
279.12213	10.5
321.30017	1.2
322.10901	3.9
354.13474	61.2
355.13794	5.5
363.22183	0.9
385.46429	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12738	0.6
78.95912	4.6
85.22707	0.7
105.03465	1.8
117.03461	1.5
132.02177	8.5
133.02972	9.4
134.03752	25.8
135.04558	11.2
137.02437	2.8
139.04025	0.9
147.04428	0.7
148.00317	0.5
148.05318	5.0
149.06065	1.8
152.99599	3.7
160.01669	47.1
161.02444	3.7
170.33485	0.6
171.00603	3.4
175.04013	100.0
176.04375	5.4
178.02679	2.2
179.03522	7.9
191.03548	0.7
193.05081	19.2
194.05449	1.0
255.23296	1.3
263.20288	0.9
275.20105	2.4
285.11270	1.3
293.21335	4.0
407.21945	1.1
437.23410	1.7
458.89655	0.8
468.72220	1.0
469.26059	34.0
469.32941	2.9
470.26291	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	469.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05636	1.9
58.01183	1.7
59.01384	100.0
64.28235	1.9
68.28853	2.0
70.12847	4.6
70.13234	4.2
74.85123	1.6
75.00613	1.6
102.84442	1.7
129.31755	2.2
265.04233	2.0
334.82037	1.9
357.58890	2.1
389.20184	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	470.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95226	0.5
59.01381	4.2
61.98834	1.7
68.75568	0.6
70.91561	1.0
71.01386	20.2
72.99301	3.9
73.02955	0.8
78.95908	5.5
85.02943	1.0
86.03294	0.5
87.00893	0.8
89.02462	2.8
96.96028	2.0
96.96954	0.6
98.28027	0.5
105.03484	1.0
107.05038	1.4
108.49020	0.5
113.02567	0.5
115.00380	54.7
116.00731	1.6
125.71178	0.5
128.75806	0.4
133.01440	100.0
133.02872	6.1
134.01756	3.1
134.03773	0.8
135.04514	1.4
139.02240	1.8
147.02975	0.5
152.99614	3.3
160.01712	2.6
161.70316	0.5
165.00133	4.3
167.01729	69.2
168.02034	3.2
177.01973	0.5
178.02669	0.5
179.03458	0.8
192.99651	48.3
193.99986	2.5
211.00696	6.6
211.13460	1.4
250.08707	2.5
262.08743	3.3
263.09201	0.5
278.08282	2.8
315.60916	0.6
322.07205	2.1
354.04846	3.1
383.14990	2.3
385.11716	1.1
470.18854	1.6
471.20203	0.7
471.27859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
62.50817	0.3
65.01965	0.2
71.60310	0.3
78.43757	0.3
78.95900	0.4
79.59756	0.3
89.03965	0.7
94.39460	0.3
95.05034	0.6
102.70659	0.3
104.02721	0.3
105.03472	2.1
116.18793	0.2
117.03471	2.3
120.61803	0.2
121.02952	0.6
132.02177	8.6
133.02968	9.5
134.03749	28.8
135.04550	11.5
136.04826	0.4
137.02451	3.2
139.03998	1.0
141.20363	0.2
147.04521	1.1
148.05313	4.9
149.06096	3.3
150.03197	0.4
152.99617	0.4
160.01662	47.2
161.02394	5.0
161.06177	0.3
162.03014	0.4
171.00674	0.3
172.31178	0.3
174.07150	0.3
175.04004	100.0
176.04332	5.4
178.02666	2.7
179.03506	6.9
180.03731	0.4
191.03481	0.3
193.05054	19.1
194.02133	0.3
194.05415	1.2
194.23395	0.3
263.20093	1.2
275.20148	1.7
285.11386	1.1
293.21204	5.1
294.21237	0.4
325.14569	0.5
437.23187	1.5
438.23676	0.3
469.25961	37.6
470.26270	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	469.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28376	0.3
59.01383	13.5
61.98822	0.8
70.89175	0.8
70.89508	0.5
71.01385	2.3
71.71127	0.3
73.02945	1.8
79.95741	6.5
80.96526	2.5
83.01395	0.8
84.63663	0.3
85.02969	0.6
89.02449	1.0
94.54877	0.4
95.95242	1.9
96.58022	0.4
96.96017	100.0
98.19938	0.4
101.02457	2.4
103.00387	7.1
113.02419	0.9
116.05029	0.4
138.97122	0.6
147.23299	0.4
152.98640	1.2
164.98598	3.0
175.02528	0.5
180.98170	2.0
181.93770	0.5
182.99603	0.4
183.10258	1.6
202.02054	0.4
211.13475	2.2
241.00259	3.0
365.12634	1.7
383.13815	86.4
384.14136	8.2
385.03485	1.1
385.08289	0.4
410.90759	0.5
424.47485	0.4
425.14899	33.0
426.15244	3.7
427.23233	0.4
451.12753	1.2
451.27161	0.6
469.13864	19.5
469.24399	1.1
470.14188	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58041	2.5
52.45309	2.3
53.19500	2.5
59.01376	11.9
61.98821	9.5
69.76450	4.2
69.76848	10.6
71.01392	14.2
85.02955	6.9
87.00874	7.6
88.98857	5.6
96.96035	5.1
98.20641	3.7
99.00902	3.6
99.25406	2.4
102.89745	2.8
104.87879	2.3
115.00378	100.0
115.30186	2.5
116.05051	11.6
126.80016	2.6
142.06619	22.4
154.12599	3.0
157.01479	5.9
175.02492	45.2
183.10271	7.6
186.05571	29.5
211.13406	16.8
211.15120	2.7
223.13397	6.5
242.08226	30.6
244.06143	70.2
244.58780	2.9
245.06491	7.3
286.06812	3.0
304.08185	6.3
337.13748	3.6
373.12033	16.2
377.23383	5.3
435.77948	3.4
469.11966	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	469.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11096	0.6
57.87380	0.5
57.97569	5.0
59.01097	1.0
59.01384	17.1
61.32232	0.7
61.98821	1.3
69.46731	1.0
69.47138	3.5
71.01395	6.9
73.02945	2.6
79.95743	7.8
80.96526	2.0
83.01394	1.7
85.02950	2.2
87.00861	1.3
89.02428	1.4
90.73498	0.6
94.94638	0.5
95.95245	1.1
96.96015	100.0
97.06602	0.8
101.02450	3.5
103.00372	7.4
104.89694	0.6
113.02467	2.4
115.00398	10.0
116.05099	2.3
128.03481	0.6
133.01395	1.2
142.06619	2.1
143.03491	1.0
150.97194	0.6
157.01439	0.7
161.02266	0.6
164.98647	2.0
175.02448	2.1
180.98111	1.9
183.10269	0.7
183.13896	0.9
186.05605	1.2
211.13408	14.8
212.13768	0.8
241.00197	4.0
242.08224	1.5
244.06146	2.8
247.17162	1.3
353.07205	1.5
365.12659	1.8
383.13809	93.2
384.14178	8.0
422.12677	0.7
425.14883	38.1
426.14926	4.3
451.12656	1.4
469.13855	23.7
469.24567	1.8
470.13959	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	468.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.4
59.01384	17.9
61.98835	100.0
70.03643	0.8
70.34829	1.8
70.35215	1.9
71.01385	9.2
73.02953	5.3
83.01399	3.1
85.02955	19.6
86.03302	4.6
89.02476	2.4
96.96050	1.0
101.02456	8.0
113.02451	2.3
115.00372	1.8
129.01947	1.4
133.01398	1.6
147.03026	3.2
161.04597	2.0
162.98572	0.9
168.15211	0.9
173.00894	0.8
179.03453	0.9
191.01982	5.7
192.02283	3.0
222.67345	0.8
254.04152	0.8
292.92163	0.9
330.51202	0.8
450.16623	3.4
468.17831	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	468.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52311	0.9
55.26578	0.8
57.21423	0.9
59.01098	1.4
59.01382	20.4
61.98834	100.0
62.67001	0.7
70.00975	4.3
71.01405	1.6
72.17269	0.9
73.02965	0.9
73.93749	0.7
74.22997	0.7
85.02942	0.9
96.96040	0.9
101.02396	1.4
113.02439	1.0
124.91421	0.8
180.15858	0.8
206.63760	0.9
319.21252	1.8
350.24112	1.8
424.27869	1.0
438.53119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	0.6
59.01390	2.0
61.98838	0.8
65.30408	0.3
71.01384	1.2
71.59809	0.4
74.02460	0.6
85.02956	1.7
96.96011	2.0
99.00898	1.0
99.05663	0.5
99.92587	12.5
100.92648	0.6
100.93385	1.4
101.02444	0.4
102.05598	0.5
103.00351	0.9
115.00390	0.8
115.92078	24.4
116.92861	100.0
117.92880	5.1
119.84125	0.4
128.03534	1.8
132.92363	0.4
133.01460	1.2
142.94453	0.6
143.04645	2.5
145.06166	0.7
146.04579	0.9
156.92249	0.3
158.94046	0.3
161.02435	0.7
165.00232	0.5
174.93329	0.6
175.11353	0.4
181.65822	0.4
184.91824	1.3
184.95465	0.4
192.07710	0.3
228.58981	0.3
231.02681	1.2
254.07758	0.4
263.08310	0.8
269.45758	0.3
272.08884	0.9
296.73660	0.3
306.07745	1.0
307.07867	0.4
308.07364	1.9
347.02200	0.9
353.06717	0.9
365.03351	3.4
366.03818	0.5
383.04416	3.5
383.09436	0.5
384.04376	0.6
395.04315	0.4
407.04462	1.6
425.05518	4.0
433.02283	1.2
438.35461	0.3
468.30936	0.7
468.97891	0.6
469.04449	9.0
469.17719	3.6
469.31027	0.5
470.04276	1.7
470.17877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.151
Annotation	5'-O-beta-D-glucosyl dihydroascorbigen
Peak:m/z	Relative Intensity
54.53715	1.8
56.31203	1.8
58.00589	7.5
59.01382	100.0
59.92848	1.7
61.98841	3.6
69.03454	11.8
69.03783	1.9
69.74696	4.6
69.75114	8.1
71.01385	75.1
72.01719	2.8
72.99286	6.8
73.02984	4.2
75.00877	2.6
83.01357	2.6
85.02955	16.1
87.00859	6.8
89.02449	90.2
95.01376	6.3
96.96046	4.5
97.02957	17.5
98.20599	4.4
99.00874	5.5
101.02446	43.8
113.02457	31.1
115.00323	2.9
116.05070	86.4
117.05415	2.7
119.03508	41.2
119.04913	1.9
128.05045	7.5
129.82271	1.8
130.06659	9.1
131.03555	4.8
133.57906	1.8
134.06612	1.9
138.05602	3.2
141.01973	4.0
142.06607	8.7
143.03491	8.9
143.04500	2.3
146.06070	2.6
149.04543	3.9
154.06638	3.3
156.04585	2.3
157.05304	3.2
158.06119	38.7
160.45177	2.2
161.04552	12.6
170.06062	5.8
172.07692	15.4
179.05635	49.7
182.06071	8.5
184.07672	2.8
186.05603	10.2
188.07170	53.3
196.07390	2.1
200.07130	8.5
204.06654	59.6
205.07021	5.2
208.07671	3.9
210.05591	11.3
210.79704	1.9
216.06706	2.9
218.08209	8.3
226.08720	17.9
246.07758	13.4
288.08612	5.3
308.17007	2.9
370.35126	2.0
468.15146	29.4
469.15683	3.3
494.59448	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	467.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63034	1.2
52.82425	1.1
57.03442	2.3
59.01384	29.5
60.01691	1.1
61.64478	1.2
61.98825	5.3
65.03960	4.3
66.26685	1.0
69.03470	1.8
69.70328	4.7
71.01389	10.8
73.02944	3.6
81.03476	2.1
83.01396	1.5
83.05038	7.9
85.02959	3.8
89.02438	7.2
91.04006	2.5
91.05558	2.0
95.05020	7.6
96.96008	21.0
97.06591	14.9
101.02425	7.6
103.00378	2.0
107.05063	2.2
109.06608	3.2
113.02447	2.9
115.00379	1.8
119.03531	2.2
121.06547	1.4
123.08172	4.0
125.09737	13.9
133.02953	2.0
135.08142	2.1
137.09666	1.7
145.06186	3.3
161.13385	6.6
163.11255	2.3
169.10168	3.0
171.10281	12.7
174.01709	2.3
177.12849	2.1
179.10783	10.0
183.10211	6.5
185.11803	9.3
187.11307	7.9
189.09229	1.7
191.66533	1.3
205.12338	50.9
206.12672	3.5
207.10277	4.2
209.11819	4.5
211.13432	8.8
215.14365	3.7
217.84741	1.3
221.11772	2.6
223.13458	5.9
233.15486	42.4
234.15810	4.1
237.15012	1.6
239.45010	1.1
245.15372	1.3
249.15005	2.0
251.16466	2.8
255.15939	1.4
263.16589	1.5
278.84055	1.2
281.13928	2.4
295.20563	1.8
303.23218	5.0
313.21753	3.6
329.21274	2.5
331.19482	1.6
331.22839	10.3
338.07086	1.5
339.19693	5.3
347.22311	4.7
348.23132	1.3
349.20120	2.1
349.23871	1.6
357.20740	25.6
358.20917	4.0
365.23322	5.0
375.21796	72.8
376.22122	9.4
381.12106	12.5
382.12708	1.3
393.17963	2.2
393.22836	39.5
394.22986	5.1
423.13272	4.6
449.25464	100.0
450.25879	12.1
467.26508	33.3
468.26797	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.9
61.98828	1.6
71.01385	13.5
71.60615	1.6
72.04554	6.3
72.99303	2.0
73.02950	1.0
74.02484	1.0
77.64975	0.8
79.95752	4.6
80.96497	1.5
82.02991	1.7
84.04560	2.8
85.02947	5.1
86.06125	2.2
87.00890	1.0
89.49806	0.8
95.95236	1.2
96.96016	84.2
98.95606	7.4
101.02451	1.4
101.07210	2.4
108.04557	2.7
109.04076	5.5
115.00372	16.2
119.05033	1.8
123.37132	0.8
125.03559	1.4
127.05146	34.6
128.03569	8.0
128.05495	1.1
133.01443	10.4
135.11835	7.5
139.08774	6.8
143.08751	1.3
145.06203	38.4
150.97110	1.2
152.98631	1.8
161.09729	2.6
163.03972	1.4
171.10356	2.0
178.12410	4.0
180.98134	3.0
191.02016	1.7
209.03027	1.9
241.00288	7.2
242.00581	1.1
243.14952	1.5
256.99786	2.9
263.17542	1.1
285.04135	2.4
289.15598	9.3
307.16644	78.4
308.16989	7.1
318.13159	1.1
333.14597	1.4
351.15610	53.8
352.15903	5.0
408.16666	1.6
467.15811	100.0
468.15973	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	26.6
61.98820	7.8
62.64134	2.0
65.03955	2.0
69.03459	3.1
71.01380	5.0
71.05029	2.0
71.07900	2.5
71.19772	2.0
76.31173	2.0
79.95734	4.6
81.03468	9.7
83.05032	29.6
85.02943	7.5
85.06585	3.0
89.02451	7.3
91.04008	4.9
91.05535	7.1
93.07130	2.7
95.05048	2.7
96.96018	72.2
97.06567	6.5
101.60957	1.9
103.00366	6.4
105.07119	4.7
107.05065	9.3
109.06630	15.3
111.04517	2.2
115.00385	2.9
116.05056	6.9
119.05002	4.5
121.06612	4.7
123.08174	4.8
125.09748	14.6
127.11275	2.8
134.24757	2.0
135.08151	2.1
145.35388	2.2
159.11766	8.6
161.13358	6.0
164.98549	2.5
171.10281	91.9
172.10609	4.4
174.01694	5.6
175.11296	4.9
177.12863	21.8
183.10272	5.2
185.09663	4.9
185.11966	2.3
187.11305	3.8
203.10783	10.6
205.12338	21.2
209.11806	8.6
221.11812	15.4
237.14943	5.5
255.16092	8.6
263.16513	6.4
275.16534	2.5
281.17612	6.2
291.15933	3.7
303.23203	4.6
303.98444	2.0
304.73328	1.9
311.20172	2.6
313.21735	8.1
329.21198	3.7
331.22815	13.5
332.23117	2.8
339.19592	4.4
340.07025	2.3
347.22330	6.9
349.23917	14.4
352.12280	2.6
357.20758	11.1
375.17041	3.9
375.21799	83.3
376.22092	10.2
381.12186	53.3
382.12479	5.1
393.22806	100.0
394.23254	13.4
423.13275	28.1
424.13748	2.7
449.25571	18.2
450.25742	2.9
456.59961	2.1
467.12509	10.3
467.26505	83.7
468.26721	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	467.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79420	0.6
59.01385	13.4
60.01735	0.6
69.35360	5.3
71.01387	2.1
73.02953	0.6
79.95737	6.2
80.96516	2.2
85.02959	1.1
87.82124	0.6
89.02473	0.7
91.63164	0.6
95.95245	1.1
96.96017	100.0
98.20638	1.1
101.02450	1.9
101.36792	0.6
103.00365	7.5
110.71257	0.6
112.96329	0.5
115.03107	0.6
116.92864	2.5
123.69437	0.7
127.61565	0.6
138.97046	0.7
164.98616	2.9
168.91664	0.7
180.98109	1.9
238.22134	0.7
241.00209	3.1
241.12495	0.6
262.07727	0.8
363.01273	0.6
363.11151	1.7
381.12241	92.7
382.12570	8.8
423.13306	34.8
423.17981	0.7
424.13495	4.7
449.11340	1.4
467.12247	19.3
468.12494	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	467.123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.5
61.98787	0.5
69.57146	1.0
69.57547	2.6
71.01374	2.2
73.02930	0.9
79.95740	6.2
80.96526	2.0
85.02979	0.7
86.21309	0.5
89.02480	0.7
95.95265	1.1
96.96015	100.0
101.02441	1.4
103.00375	7.6
113.02470	0.5
130.39455	0.4
150.96973	0.5
152.98663	1.2
157.14844	0.4
159.55005	0.5
164.98662	3.2
180.98209	2.3
221.77246	0.5
241.00232	3.5
363.11276	1.5
381.12238	89.1
382.12524	7.0
423.13303	34.6
424.13708	3.6
449.11255	1.1
467.12280	17.5
468.12805	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	467.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35797	0.5
55.01886	0.6
57.03453	3.8
58.00583	0.6
59.01150	0.7
59.01386	9.2
61.98854	0.6
65.16969	0.4
69.03445	1.1
71.01385	9.5
72.99312	1.5
73.02971	0.8
74.02485	1.0
75.00875	1.3
79.95741	4.7
80.96510	1.5
82.02982	1.9
84.02163	1.0
85.02955	31.9
87.00875	1.0
89.02441	8.1
95.01423	0.9
95.95239	7.1
96.96013	58.2
97.02966	1.4
98.95580	1.7
99.00883	1.2
101.02432	3.7
103.00439	0.7
111.00892	1.4
113.02457	1.8
115.00369	1.5
116.05054	7.0
116.65968	0.6
119.03506	3.1
119.18353	0.5
122.97555	0.7
123.73083	0.6
125.02411	0.5
128.03540	2.6
129.01932	2.2
130.06621	0.6
133.01454	1.3
135.39536	0.5
136.98865	0.6
138.05643	3.4
138.97041	2.0
143.03560	0.9
143.04620	1.5
145.06168	0.7
147.03009	4.3
149.04379	0.6
150.97092	0.7
152.98631	0.6
158.06114	3.4
161.02457	0.7
161.04591	1.2
164.59763	0.5
172.07556	1.5
173.00926	0.9
177.04022	2.6
179.05630	3.4
186.05637	0.8
188.07109	3.7
190.13544	0.6
191.01976	11.6
204.06699	4.3
205.92610	0.6
209.03009	3.6
210.05589	0.6
218.08232	0.7
225.00850	0.9
226.08850	0.9
233.09282	1.8
241.00200	5.5
246.07759	1.1
256.99741	8.2
263.53723	0.6
272.08932	2.5
287.10352	1.9
304.06113	1.5
305.11414	1.1
307.16632	0.9
349.76251	0.6
351.15634	1.2
385.58707	0.8
467.15939	100.0
468.16086	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	464.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98058	0.8
59.01384	14.6
61.98835	100.0
71.01385	3.6
71.32056	2.0
73.02942	3.2
78.95905	1.3
83.01398	0.9
89.02450	1.1
89.86591	0.8
96.95996	2.5
101.02437	3.1
113.02414	1.3
161.04561	1.5
245.32933	0.8
253.66592	0.9
294.90497	0.9
447.23447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11920	1.3
59.01394	1.5
61.98838	11.5
68.38516	1.3
69.59963	9.6
70.30630	1.3
70.68079	1.5
71.01395	5.0
72.00913	9.6
72.78031	1.5
72.99303	2.6
74.99104	3.0
78.95920	3.0
85.02953	1.9
95.95261	4.6
96.96029	8.0
98.20592	3.2
99.20039	1.8
103.43307	1.3
115.00372	4.1
119.05074	7.0
123.00906	2.0
128.03610	1.9
133.01433	12.0
133.02980	1.7
138.03226	3.0
147.03357	1.7
147.04529	33.3
148.04930	2.2
163.03993	10.9
164.07173	100.0
165.07527	5.4
200.97133	2.4
230.76270	1.5
234.99152	2.4
241.99852	3.2
248.97156	2.1
351.00125	2.1
422.10995	2.2
459.93292	1.6
466.05435	3.5
469.55838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87762	0.8
57.01836	1.0
59.01379	16.3
61.98834	100.0
71.01398	2.8
71.60606	1.7
78.95900	1.8
90.34284	0.9
96.96008	2.2
101.02434	1.2
119.67676	1.0
183.10251	1.4
317.19772	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.4
58.00596	2.9
59.01383	8.5
61.98854	0.9
69.03474	0.5
71.01386	5.1
71.60068	0.4
72.99347	0.8
73.02944	2.0
73.63082	0.3
74.03345	0.3
75.00904	0.4
83.01414	0.6
83.05046	0.3
83.30155	0.3
84.02189	0.4
85.02996	1.1
87.00883	0.8
89.02450	3.7
93.84521	0.3
95.01434	0.4
96.96023	1.8
99.00921	0.6
101.02448	5.0
113.02452	2.4
115.00391	0.9
118.77643	0.4
118.80713	0.3
119.03535	0.8
129.01982	0.4
133.01447	0.8
134.03728	0.4
136.07707	0.4
137.09731	0.5
143.03551	0.5
143.33737	0.3
151.00401	0.5
151.58772	0.3
153.12859	1.0
155.14476	1.6
161.04552	1.9
163.11374	0.3
165.12900	1.5
169.12341	0.6
171.13927	1.2
175.02463	0.5
179.05589	0.6
181.12352	2.2
183.13934	2.9
187.03975	0.6
191.10773	0.6
197.11996	0.4
199.13409	32.9
200.13774	1.7
201.51570	0.4
209.11835	7.7
210.12178	0.7
211.13309	0.4
227.12901	100.0
228.13243	6.9
229.14441	1.6
229.66161	0.3
231.02946	0.4
245.13960	2.3
247.72659	0.3
253.06609	0.7
253.09293	14.7
254.09641	0.8
257.12909	1.2
300.02762	0.4
301.03577	0.8
301.07028	0.4
301.11707	0.4
319.17627	0.6
347.24200	1.0
463.08224	0.6
463.21643	19.6
464.21939	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32317	0.3
54.19948	0.3
55.01872	0.5
57.03441	1.3
58.00600	0.6
59.01381	9.6
61.98832	1.3
62.16555	0.3
64.39407	0.4
65.15527	0.3
69.03456	0.4
71.01381	7.5
71.60208	0.4
72.13767	0.3
72.99316	0.4
73.02951	1.4
73.99903	0.3
79.95723	0.6
83.01386	1.2
83.05013	0.6
85.02949	1.7
87.00872	1.3
89.02448	4.7
96.96016	7.8
97.06625	0.4
101.02440	7.4
103.00348	0.4
111.08177	1.0
113.02457	2.5
115.00370	0.8
119.03512	1.8
120.08170	0.6
125.02451	5.5
133.01445	0.7
133.05074	0.5
134.06104	1.0
138.04669	0.4
138.05598	1.9
143.03511	0.8
161.04568	2.4
162.05624	0.4
164.07123	0.9
165.12854	8.7
165.14284	0.5
173.06013	0.4
178.05093	0.5
179.05609	0.6
183.13901	100.0
184.14233	6.5
184.96559	0.3
208.86559	0.3
209.11739	2.5
227.12880	9.8
227.15117	0.6
228.13231	0.6
235.08269	1.3
241.00267	0.6
253.09285	8.6
283.18799	0.4
293.80127	0.4
300.02679	0.5
301.07162	1.9
301.11890	0.9
301.20200	0.5
377.09125	5.6
419.10236	2.1
420.13812	1.0
421.15262	0.5
445.20502	0.7
463.21835	62.8
464.22113	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	463.0886
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
51.97797	0.7
52.00061	0.5
52.35045	0.6
55.60343	0.6
59.14878	0.7
63.02441	0.7
65.00352	1.2
70.03646	1.5
70.04056	2.2
83.01375	0.9
83.57389	0.6
84.90766	0.7
92.46268	0.6
98.19964	1.2
107.01398	3.4
108.02213	2.1
109.02937	1.3
121.02979	1.9
135.00903	0.8
135.56432	0.6
142.86800	0.7
148.01703	1.6
151.00360	12.1
153.49774	0.6
163.00365	3.0
164.01122	0.8
164.30734	0.6
169.01440	0.7
178.99899	5.3
196.17596	0.7
199.04033	1.4
215.03484	0.9
226.02765	2.0
227.03494	3.6
243.02985	14.9
244.03487	1.1
245.04645	1.1
254.02194	2.3
255.03009	25.4
256.03369	2.5
271.02496	64.7
272.02890	6.2
273.03955	1.2
283.02539	1.8
299.02054	1.2
300.02774	100.0
301.03506	57.4
302.03860	4.7
307.57895	0.7
327.72083	0.7
463.08847	76.5
464.09161	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	463.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	0.9
62.96413	0.8
69.44078	4.0
75.43795	0.6
78.95898	7.5
81.21953	0.5
149.00098	32.7
167.82602	0.6
177.42531	0.6
181.66106	0.5
194.98865	100.0
195.99242	3.2
233.62344	0.7
295.22830	1.0
301.03452	0.9
393.48068	0.6
463.11163	61.7
464.11520	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24693	0.4
57.03478	0.5
59.01381	6.9
61.98823	0.8
69.46709	2.9
71.01387	4.3
73.02957	1.0
74.01690	0.3
79.95732	0.9
83.01403	0.9
85.02951	1.2
87.00925	0.5
89.02458	2.6
96.96014	11.1
99.00871	0.4
101.02443	4.4
103.00378	0.7
111.08144	0.6
113.02447	1.7
119.03514	0.7
133.01439	0.8
133.02919	0.4
133.05054	0.4
161.04575	1.5
164.98708	0.4
165.12860	8.2
166.13264	0.6
177.01968	0.3
179.05695	0.4
179.20834	0.4
180.98218	0.4
183.13902	100.0
184.14235	6.3
190.03331	1.4
209.11751	1.7
217.04446	1.1
227.12897	12.5
228.13242	0.8
235.08243	1.0
253.09299	4.9
300.02582	0.4
301.03281	0.5
301.11658	0.6
301.16565	0.6
301.53506	0.4
309.14920	0.6
327.15988	0.5
377.09140	9.1
378.09393	0.8
419.10175	3.4
420.64249	0.4
441.14407	0.6
445.20895	0.7
463.09100	1.9
463.21851	62.2
464.22290	8.0
464.27728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45037	0.5
57.54413	0.4
59.01382	3.5
61.98838	100.0
63.60147	0.5
69.58869	2.0
69.59286	1.5
69.89569	0.5
71.01394	1.4
78.56274	0.5
78.95898	3.0
79.95777	0.7
85.15955	0.5
95.05045	0.7
96.96029	3.1
99.87652	0.6
105.03491	0.9
113.02509	0.6
115.00414	0.6
121.02941	0.6
133.01436	0.8
133.02968	11.3
133.03976	0.6
134.03755	7.2
134.04698	0.6
135.04611	0.5
137.02441	3.5
139.04041	1.2
147.78792	0.6
152.99577	2.7
166.21765	0.5
175.02580	0.9
177.01952	11.4
178.02722	15.2
179.03564	1.0
211.13399	1.3
213.89493	0.5
227.12947	0.7
241.18114	0.7
284.02890	1.3
300.02917	1.5
301.03583	2.8
303.14468	0.5
327.15976	1.0
329.23251	0.5
462.11578	1.4
462.30536	0.9
463.08905	3.0
463.21140	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31586	0.5
51.30115	0.5
53.00677	0.5
57.66241	0.5
59.01371	3.5
61.98832	100.0
69.30659	1.3
69.31076	3.4
71.01393	1.2
78.95934	2.5
79.37650	0.5
79.95773	0.6
96.96017	3.5
101.02511	0.6
105.03486	1.7
116.05051	0.6
121.03004	1.1
126.41034	0.6
133.02962	10.3
134.03755	6.1
135.04533	0.6
137.02452	2.5
139.04015	1.1
152.99640	1.7
171.00821	0.5
175.02570	0.7
177.01944	12.2
178.02701	11.1
185.78412	0.6
191.63628	0.5
211.13446	1.8
227.12959	1.1
231.02759	0.6
300.02844	1.0
301.03638	1.0
327.16202	0.8
329.23419	0.9
453.89227	0.6
462.30707	1.4
463.14124	0.6
463.21030	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07263	2.4
57.03442	4.6
58.87392	2.3
59.01368	5.2
67.01915	3.0
71.01382	8.4
73.02956	3.4
83.01398	29.4
85.02954	9.9
87.00867	9.0
96.96007	9.3
99.00867	3.7
111.00890	37.2
113.02441	5.9
115.00385	14.1
116.05071	11.7
127.00441	2.7
129.01953	3.2
130.06621	5.4
133.01361	3.1
139.00388	74.5
140.00687	2.5
156.04517	5.0
157.01427	90.5
158.06119	5.7
173.55107	3.0
174.05621	4.2
175.02448	22.1
190.25539	2.6
200.07210	6.9
202.05092	30.5
202.08778	14.8
203.05287	3.0
204.06670	16.4
210.74992	2.8
227.12900	4.6
230.08249	8.1
242.08388	3.1
258.07645	4.7
259.52469	2.6
260.09296	3.8
304.08279	100.0
305.08548	9.1
346.11166	3.7
415.89636	2.5
462.10635	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	461.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	2.4
59.01385	43.0
59.48036	1.6
70.05553	4.5
71.01389	39.0
72.99312	4.1
89.02456	5.0
93.03454	2.9
96.96037	5.6
98.19870	3.3
109.06578	1.7
110.90150	1.6
115.00379	59.3
118.17146	1.6
119.04982	2.2
133.01442	100.0
134.01759	2.0
149.06071	3.2
169.06541	3.3
182.07407	4.0
189.09105	2.5
197.09718	39.4
207.10222	3.8
211.11311	4.5
213.05493	4.3
213.12901	7.5
225.05405	2.5
225.11308	20.2
241.05127	11.4
243.06363	1.6
253.05093	4.7
256.07422	7.6
257.11884	15.7
269.04691	3.0
285.04095	2.9
296.06885	2.7
297.03992	5.0
297.27551	1.7
300.06396	7.5
301.10800	73.7
302.11057	5.1
312.06436	4.9
315.08759	31.0
316.08725	2.5
327.08694	30.2
345.09821	26.3
346.10175	2.9
375.07922	2.6
461.20233	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14686	0.8
57.97543	2.0
58.92369	0.8
59.01384	14.0
61.98835	8.1
69.03478	0.8
71.01392	15.7
71.60475	1.2
72.99313	1.7
73.02947	1.6
75.00884	1.7
83.01370	1.1
85.02954	2.0
87.00880	24.8
88.04043	1.4
95.95213	1.3
96.95998	1.7
99.00860	0.9
101.02446	1.0
106.06621	1.0
111.00875	1.2
113.02481	1.1
115.00385	52.9
116.05073	9.7
126.66763	0.8
130.06590	1.3
131.03761	3.7
133.01447	1.2
134.06122	3.5
135.02983	3.7
139.00359	2.1
144.04543	2.4
146.06129	9.5
147.06879	3.0
148.07674	1.0
151.00351	1.2
152.04671	1.1
152.99586	0.8
157.01459	2.3
160.07660	0.9
162.05586	5.7
174.01674	2.6
174.05528	1.8
175.02490	100.0
176.02786	3.3
178.02736	0.9
183.00365	0.8
190.05081	3.9
191.05864	1.4
192.06619	1.1
194.09309	2.2
198.89035	0.8
200.07164	3.1
215.05763	1.1
218.04575	9.6
226.11104	3.4
228.06641	1.2
232.06148	1.6
241.13499	4.8
258.14581	1.1
265.98557	0.8
266.11380	2.6
273.10333	1.1
285.05341	1.7
285.12454	12.0
286.12744	1.1
299.14038	0.9
312.58551	0.9
315.13382	3.6
316.30737	0.9
327.21353	1.3
343.13040	2.9
360.33929	0.9
401.13638	9.1
411.49979	0.9
443.12643	1.3
462.21191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12212	0.4
55.01892	1.0
57.03451	1.7
58.00612	0.6
59.01383	100.0
60.01709	1.1
61.98835	1.3
69.03474	1.3
71.01388	32.8
72.99316	1.9
73.02952	20.4
75.00901	0.6
83.01407	6.0
85.02974	6.9
87.00902	2.2
89.02457	16.9
95.01397	2.3
96.96043	1.7
97.02947	0.5
99.00896	1.4
99.04544	1.1
101.02451	24.9
102.02747	0.5
113.02458	14.6
114.02808	0.6
115.00404	1.0
119.03521	7.6
125.02459	1.2
127.05230	0.5
128.03499	0.5
131.03535	2.0
133.01474	0.7
135.04501	0.4
143.03482	3.3
145.06242	0.8
149.04565	1.8
155.03612	0.6
161.04558	5.8
164.23360	0.5
171.10425	0.5
174.01704	0.5
179.05678	2.7
181.92270	0.5
253.18231	0.6
255.19682	7.7
256.20001	1.1
297.20883	0.6
304.00024	0.5
325.20313	0.7
343.21570	0.8
399.23907	7.2
400.24350	1.0
417.24969	11.7
418.25601	1.6
428.70068	0.6
459.25748	2.2
460.26212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01724	1.3
61.21345	0.3
61.98528	0.3
61.98829	1.7
69.30021	3.2
71.01388	10.3
71.01763	0.6
72.99329	0.6
73.02952	2.9
74.02498	0.5
83.01410	1.4
85.02951	3.3
87.00904	0.6
87.04538	1.1
89.02463	2.8
93.73277	0.3
95.01415	0.7
96.96022	1.1
99.00888	0.8
101.02453	6.3
101.06092	1.0
113.02444	3.6
115.00408	0.8
119.03551	0.8
120.01280	0.4
125.02468	0.8
128.03548	0.8
131.00653	0.3
133.01447	0.5
143.03526	0.9
143.04654	0.9
145.06204	0.4
150.03331	0.4
161.02522	0.4
161.04599	3.1
166.85500	0.3
173.00876	0.3
174.01660	0.5
175.02670	0.4
179.05719	0.5
187.07634	0.4
188.95068	0.3
227.03587	0.4
237.14818	0.4
255.19873	0.5
279.33899	0.4
285.04163	0.9
306.07758	1.1
314.04651	0.3
343.21402	0.4
381.22964	0.8
399.23984	3.3
400.24307	0.8
417.24976	3.3
428.16632	0.4
459.09534	0.4
459.22720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
71.50772	0.3
89.83347	0.2
107.05037	30.4
108.05370	0.9
116.92869	0.2
119.72102	0.2
121.06622	0.3
147.08131	0.6
163.11296	100.0
164.11624	5.6
280.14685	0.6
283.17047	25.5
284.17343	2.3
295.17029	14.8
296.17374	1.7
321.09958	0.3
459.29056	73.9
460.29373	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05582	0.2
55.01882	0.3
56.84645	0.2
57.03452	0.7
59.01382	100.0
60.01724	1.3
61.98800	0.3
64.95561	0.2
70.84217	0.6
71.01385	7.8
71.01764	0.5
72.99297	0.3
73.02953	2.0
83.01402	1.0
85.02959	4.7
87.00877	0.4
87.04542	1.0
89.02450	1.5
95.01409	0.8
99.00900	0.8
101.01841	0.5
101.02442	3.2
113.02454	7.2
119.03522	0.4
133.01440	0.2
143.03516	0.3
159.03018	0.6
161.04570	2.8
199.02351	0.2
210.69006	0.2
255.19662	0.2
263.07339	0.3
263.12775	0.3
268.78543	0.3
343.21298	0.3
398.95462	0.2
399.23907	5.8
399.28656	0.4
400.24286	0.9
417.24973	2.2
418.25397	0.4
459.22119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01717	0.9
61.98848	1.4
69.46148	0.7
70.06146	2.8
71.01383	0.8
78.95914	0.7
80.08821	0.7
121.02963	1.5
126.44518	0.6
151.05580	0.8
176.01065	0.6
316.37421	0.8
377.09122	0.6
401.10468	0.7
459.27820	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77217	0.4
59.01384	21.2
60.01731	0.6
61.98841	1.2
66.47861	0.4
69.34621	3.0
69.35027	1.1
71.01383	4.4
73.02967	1.1
79.95751	6.1
80.96544	2.8
83.01392	1.1
85.02948	1.7
87.04534	0.4
89.02456	0.5
96.96017	100.0
101.02419	2.5
103.00388	8.0
113.02478	1.1
115.00401	1.5
115.05152	0.5
126.82908	0.5
130.08763	1.0
133.01448	1.1
134.03754	0.9
135.04541	0.8
137.07147	0.5
150.97134	1.0
152.98590	0.7
157.67235	0.5
161.04448	0.6
164.98672	2.7
178.02737	0.5
180.98152	2.4
187.07655	0.8
193.05139	2.3
200.79095	0.5
202.06409	0.6
211.13481	0.7
231.10255	0.9
241.00256	4.4
263.12885	1.3
325.09857	0.6
343.21259	3.4
355.10822	1.7
373.11743	95.5
374.12036	7.9
414.24316	1.1
415.12814	37.9
415.24579	1.1
416.13168	3.7
441.10907	1.3
459.11844	26.2
459.18665	2.2
460.12018	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	457.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97151	5.8
58.00554	6.3
59.01385	57.9
61.98828	17.8
65.16558	6.8
69.75846	23.7
69.76263	14.3
71.01386	47.8
75.11431	6.1
79.98765	6.4
85.02925	7.4
89.02450	63.5
101.02460	15.6
101.15835	5.6
104.90791	6.1
112.85998	6.4
113.02487	15.4
117.37958	5.7
119.03497	16.9
119.27775	6.2
140.83528	6.5
144.79947	5.8
179.05583	18.1
185.30681	5.3
192.68523	5.9
213.18561	5.3
251.77917	6.3
277.21744	100.0
278.21915	8.0
286.72125	5.6
298.90582	6.3
359.21844	7.2
456.35431	11.5
457.36438	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65134	0.5
52.71712	0.5
55.89119	0.5
59.01379	5.8
61.44226	0.5
61.98837	0.9
65.19612	0.5
69.27939	5.4
69.96433	0.4
71.01382	1.4
81.03460	2.1
83.01379	3.0
85.02985	0.9
93.03490	1.1
95.01408	0.6
96.96051	2.5
98.19830	1.1
98.95599	0.7
109.02972	1.6
116.05069	54.8
117.05405	2.2
123.04527	12.4
125.02462	3.5
133.01392	0.6
135.00900	0.9
135.04503	0.9
137.02448	17.1
142.06624	1.1
149.06024	0.5
151.04033	2.7
161.02463	1.5
163.00381	7.1
163.04045	1.0
165.05585	1.3
167.03496	32.2
168.03799	1.3
177.01930	1.0
179.03502	100.0
180.03856	5.7
181.05023	2.2
191.03497	10.3
191.05133	0.9
193.05006	3.8
203.03586	0.8
209.04550	5.6
221.04567	8.4
222.04979	0.6
233.04512	1.1
251.05319	0.7
251.96986	0.5
296.09274	48.1
297.09647	5.3
320.09308	9.3
321.09692	1.7
329.08743	8.5
330.09125	1.0
338.10364	3.5
341.08762	5.5
342.09106	0.8
347.71371	0.5
372.14319	1.9
414.15231	0.7
458.14532	8.5
459.14563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03452	0.5
58.02986	0.4
59.01383	100.0
60.01716	1.2
61.98839	3.5
70.58666	1.5
71.01385	14.0
72.01714	0.6
72.99315	1.0
73.02964	1.8
73.04066	3.3
81.03462	0.9
83.01408	1.1
85.02956	3.9
87.05646	1.0
89.02433	2.9
93.03464	0.8
95.01405	1.4
96.96023	1.3
97.04092	1.0
98.02472	0.5
99.00904	0.8
99.04520	0.9
101.02456	4.8
109.14619	0.4
110.68376	0.4
113.02451	4.7
115.00401	4.8
115.05147	8.1
119.03526	1.4
126.06748	1.0
130.08751	17.0
131.09038	0.7
132.02126	0.6
133.01453	4.0
133.02972	0.7
134.04747	1.0
135.03020	1.5
135.04509	0.6
135.11769	0.8
143.03514	0.5
144.07829	0.6
153.10327	0.6
155.11919	0.6
159.04655	0.5
161.02434	0.5
161.04559	3.0
168.07799	1.1
175.04060	0.8
179.05774	0.7
179.10815	3.5
179.12137	0.5
180.11113	0.5
183.11414	0.6
199.18211	2.5
199.19957	0.4
223.09827	1.4
225.11388	2.3
235.07687	1.5
243.17188	0.8
252.07939	6.0
263.07172	1.4
264.07916	5.6
265.08313	0.5
267.10220	1.7
270.21841	4.1
283.02548	0.9
285.04037	1.5
296.06842	0.6
297.11349	0.6
308.06976	2.1
311.09280	7.0
312.09454	0.6
314.21042	0.5
323.09219	8.3
324.09769	0.8
341.09866	0.8
341.13037	1.1
371.10318	0.6
384.09378	0.9
397.22275	1.2
413.24026	22.5
414.24414	2.5
415.23315	2.9
416.23810	0.7
457.26465	4.2
458.27359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59064	0.3
57.03451	0.5
57.97571	0.5
58.00605	0.4
59.01383	100.0
60.01718	1.4
61.98830	1.2
67.85051	0.3
70.45182	0.3
70.45525	1.1
71.01386	17.8
71.44186	0.3
72.01740	1.3
72.63965	0.3
72.99310	0.9
73.02947	3.4
74.02490	0.9
79.95725	0.3
82.40140	0.4
83.01396	1.3
83.05042	0.6
85.02959	3.4
87.00896	0.7
89.02444	5.7
93.59935	0.3
95.01400	0.6
96.96013	4.3
98.19930	0.3
99.00917	1.0
99.92607	1.2
101.02448	6.1
113.02463	5.8
115.00376	6.3
116.00726	1.2
116.05083	2.6
117.05440	1.2
119.03490	2.0
128.01797	0.7
129.02124	0.7
130.01443	0.6
131.03506	0.5
133.01440	3.0
133.02980	0.5
135.04562	1.5
136.01672	11.1
136.04872	0.3
137.01987	6.1
143.03563	0.7
144.08218	0.4
147.11832	0.5
149.04523	0.3
151.04015	17.7
152.04353	8.8
153.04454	0.6
161.04591	2.8
167.10934	0.3
176.63562	0.4
179.03586	1.0
179.05664	0.7
179.10751	0.5
180.03883	0.7
188.07214	1.4
189.07574	1.2
225.11378	0.4
241.00403	0.3
255.03151	1.1
263.09192	1.1
264.09915	1.2
278.11917	0.8
279.12241	2.9
283.02582	1.0
284.03210	0.7
285.04053	1.6
340.11917	2.7
341.12219	12.3
342.12817	1.0
343.83661	0.4
376.08124	0.5
384.09579	0.5
397.22552	0.5
415.16650	1.9
415.23621	1.4
422.03232	0.5
422.76984	0.4
457.17157	2.1
457.29388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59064	0.3
57.03451	0.5
57.97571	0.5
58.00605	0.4
59.01383	100.0
60.01718	1.4
61.98830	1.2
67.85051	0.3
70.45182	0.3
70.45525	1.1
71.01386	17.8
71.44186	0.3
72.01740	1.3
72.63965	0.3
72.99310	0.9
73.02947	3.4
74.02490	0.9
79.95725	0.3
82.40140	0.4
83.01396	1.3
83.05042	0.6
85.02959	3.4
87.00896	0.7
89.02444	5.7
93.59935	0.3
95.01400	0.6
96.96013	4.3
98.19930	0.3
99.00917	1.0
99.92607	1.2
101.02448	6.1
113.02463	5.8
115.00376	6.3
116.00726	1.2
116.05083	2.6
117.05440	1.2
119.03490	2.0
128.01797	0.7
129.02124	0.7
130.01443	0.6
131.03506	0.5
133.01440	3.0
133.02980	0.5
135.04562	1.5
136.01672	11.1
136.04872	0.3
137.01987	6.1
143.03563	0.7
144.08218	0.4
147.11832	0.5
149.04523	0.3
151.04015	17.7
152.04353	8.8
153.04454	0.6
161.04591	2.8
167.10934	0.3
176.63562	0.4
179.03586	1.0
179.05664	0.7
179.10751	0.5
180.03883	0.7
188.07214	1.4
189.07574	1.2
225.11378	0.4
241.00403	0.3
255.03151	1.1
263.09192	1.1
264.09915	1.2
278.11917	0.8
279.12241	2.9
283.02582	1.0
284.03210	0.7
285.04053	1.6
340.11917	2.7
341.12219	12.3
342.12817	1.0
343.83661	0.4
376.08124	0.5
384.09579	0.5
397.22552	0.5
415.16650	1.9
415.23621	1.4
422.03232	0.5
422.76984	0.4
457.17157	2.1
457.29388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16362	0.3
54.37201	0.3
55.01888	0.7
57.03446	1.1
57.12300	0.3
58.00583	0.3
59.01383	100.0
60.01721	1.0
61.98827	1.7
69.03471	0.4
70.78089	0.7
70.78426	0.5
71.01389	16.0
72.99325	0.5
73.02957	3.7
75.00887	0.4
83.01404	1.5
85.02960	5.6
85.03455	0.4
87.00912	1.0
89.02453	8.1
95.01405	2.0
96.96036	0.5
97.02943	0.5
99.00906	1.8
101.02453	8.2
101.03087	0.6
113.02456	10.8
115.00373	2.3
115.04015	0.4
118.13853	0.3
119.03505	3.3
125.02440	0.5
127.05153	0.3
128.66077	0.3
131.03557	0.4
133.01422	1.8
134.03758	0.4
135.04453	0.3
143.03510	0.9
145.01427	0.3
149.04669	0.3
160.01761	0.5
161.02467	0.5
161.04567	3.2
161.05899	0.4
179.05696	1.1
220.75307	0.3
225.11365	0.7
227.03589	0.4
235.13531	0.4
235.16998	0.4
251.07312	0.3
252.08003	1.3
255.03088	1.0
264.07956	0.4
267.10388	0.6
279.06662	0.6
283.02664	0.9
284.03140	0.4
285.04102	2.0
296.06973	0.4
308.07181	0.7
311.09286	2.3
323.09283	2.3
336.34140	0.3
341.10107	1.8
341.19601	0.6
370.29510	0.4
376.08182	0.4
376.58432	0.4
379.21548	0.4
384.09735	0.5
397.22385	3.6
415.23407	2.7
416.24008	0.7
437.81583	0.4
457.21060	1.4
457.27997	0.6
458.21466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	9.6
66.03486	2.3
69.25684	9.2
69.26123	9.3
71.01388	11.6
71.28400	1.8
72.99316	2.1
74.02476	35.5
81.04577	1.8
82.02979	2.5
86.02471	10.3
86.06120	3.8
87.05623	5.0
88.04075	2.2
93.03478	2.2
94.40939	1.8
96.95986	5.3
97.04066	5.4
98.19797	2.3
99.05644	22.2
101.07223	3.5
101.92030	1.9
102.05592	5.1
109.02923	1.9
109.04061	5.2
111.05624	2.5
112.04016	4.0
115.00381	27.8
120.74637	1.5
123.05676	4.0
124.04086	2.7
125.03010	15.6
127.05120	5.1
128.03545	59.0
129.03917	1.9
133.00444	2.5
133.01445	51.0
135.03494	1.9
135.04514	37.9
135.05614	8.6
136.04909	1.9
137.07216	2.4
138.03810	5.1
140.05421	27.7
141.06686	3.4
143.04634	78.2
144.04965	1.7
145.06239	2.0
146.04610	8.2
153.06706	3.7
155.08272	2.4
161.02423	4.1
166.09880	2.5
167.04633	3.9
167.08238	4.0
169.25386	1.7
179.03453	34.2
179.04689	19.8
181.06207	3.3
184.04327	11.8
192.07771	2.5
210.08847	21.3
211.09233	2.3
228.09906	2.2
254.07834	46.7
255.08551	2.3
272.08896	36.4
297.07745	3.2
323.07700	3.1
328.09628	8.6
341.08890	28.5
342.09357	2.7
371.10007	2.9
421.12045	2.1
439.12888	27.1
440.13132	3.6
457.14008	100.0
458.14133	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	457.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.2
70.17122	1.9
71.01389	8.1
71.01762	0.6
73.04078	2.4
74.02493	1.2
85.02981	0.6
86.02474	0.8
89.02471	1.3
96.96025	2.2
99.02014	1.2
99.05671	1.0
99.92585	1.0
112.05209	1.0
113.03563	1.0
115.00390	9.5
116.92893	1.2
119.03522	1.1
119.05042	5.2
128.03563	2.0
130.06236	2.4
133.01442	18.9
133.02971	1.1
134.03746	2.2
135.04538	82.6
136.04857	4.7
143.04639	3.1
144.07849	0.7
161.02449	1.6
163.04109	0.7
167.08264	0.5
169.07401	1.5
178.02675	0.8
179.03511	100.0
180.03851	5.9
180.06625	1.8
187.08363	0.8
193.05060	0.9
193.09892	0.9
202.05113	0.9
207.17886	0.5
250.11963	1.4
254.07852	1.1
272.08957	1.4
282.06595	0.6
307.14117	1.1
327.72763	0.7
341.08798	50.8
342.09222	4.5
413.20261	0.8
439.12927	1.0
457.18134	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	457.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83698	0.4
55.11055	0.4
59.01099	0.8
59.01386	13.4
69.75390	0.3
71.01385	1.2
71.37482	0.5
73.02950	0.8
79.95742	5.3
80.96537	2.4
85.02962	1.4
86.83436	0.4
96.96017	100.0
101.02471	2.2
103.00382	8.0
104.00753	0.3
113.02413	0.7
122.97588	0.5
125.36452	0.3
138.97093	0.6
150.97144	0.4
164.98633	2.8
180.98177	2.2
241.00256	2.7
248.03331	0.4
248.39171	0.4
293.92184	0.4
353.12634	1.8
371.13815	90.4
372.14185	9.2
413.14890	35.3
414.15213	3.9
439.12552	1.3
457.13809	22.7
458.14386	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83813	0.3
59.01097	0.8
59.01385	14.3
60.76768	0.3
61.98845	0.6
70.17748	1.6
71.01395	2.3
73.02963	0.8
79.95747	5.7
80.96514	2.8
83.01395	0.6
85.02962	1.8
91.32607	0.4
96.96016	100.0
98.19952	0.6
101.02454	2.1
103.00386	8.0
105.41903	0.4
112.22954	0.4
113.02517	0.5
115.00327	0.5
116.05027	0.5
122.97619	0.6
127.05114	0.4
133.01450	0.8
138.97124	0.5
144.93700	0.3
149.67690	0.4
150.97087	0.6
152.98683	0.8
158.29044	0.3
159.09636	0.3
161.04651	0.4
164.98660	2.3
180.98111	2.0
227.70851	0.4
241.00244	3.0
326.59860	0.4
353.12830	1.5
371.13803	93.1
372.14133	7.6
413.14868	36.8
414.15259	5.1
439.12842	1.5
457.13901	25.9
457.23404	2.0
458.14221	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	456.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	1.1
59.01385	20.1
59.33634	0.7
61.98838	1.3
63.57668	0.7
64.65942	0.8
70.95370	1.6
71.01389	25.1
89.78928	0.6
101.64845	0.8
115.00385	24.2
116.05084	15.9
129.93518	0.7
133.01439	6.2
136.01669	69.8
137.02014	2.6
142.06648	2.1
144.08200	1.8
151.04015	100.0
152.04385	4.5
188.07181	9.5
262.06332	0.8
262.08789	5.2
263.09491	7.3
278.11829	12.8
322.10565	0.9
340.11908	59.0
341.12231	6.8
393.43619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28715	0.9
55.83222	0.8
69.70628	4.9
71.01386	16.6
72.99336	4.0
89.02470	2.2
96.96054	1.1
115.00385	49.4
116.00736	1.7
133.01440	100.0
133.03062	2.5
134.01791	1.9
135.04530	58.7
136.04834	2.4
161.02457	9.5
176.98239	0.9
179.03505	76.5
180.03894	4.1
251.07283	0.8
290.68008	0.8
323.07816	3.7
341.08798	59.1
342.09149	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	455.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.7
59.01383	11.6
62.75913	1.6
66.93533	1.7
69.03458	3.0
71.01385	38.5
71.61111	2.2
72.99300	5.6
75.00452	3.9
75.00877	78.9
76.01215	2.1
78.95895	2.6
80.96516	6.3
83.01390	1.6
85.02957	10.7
87.00868	12.5
89.02451	4.6
94.98086	2.5
97.02967	3.8
99.00906	12.2
102.05622	4.6
111.00892	3.5
126.11281	1.7
128.03531	4.6
129.01949	30.2
131.03528	2.0
133.02954	2.9
135.04514	4.1
141.01968	2.6
144.33485	1.8
145.06209	5.2
146.04587	14.5
159.03009	5.1
161.02477	14.8
177.04062	36.4
195.05135	4.0
228.40335	1.6
255.23422	2.1
256.23807	3.6
258.24197	3.6
277.21732	47.1
278.22110	5.6
297.67566	1.9
419.24246	2.3
455.26523	100.0
455.35126	6.2
455.72769	2.1
456.27109	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
58.00566	0.6
58.02979	2.6
59.01100	0.7
59.01385	13.6
61.98837	7.8
69.03477	0.9
71.01383	8.6
72.00887	0.5
72.99311	1.1
73.02954	1.5
74.02498	2.6
78.95918	0.6
82.02999	1.4
83.05035	1.1
83.06170	1.8
84.04556	4.2
85.02946	2.9
85.06592	0.5
89.02446	1.5
95.01396	0.6
95.05020	1.6
96.96014	5.7
97.06573	3.1
98.02491	0.9
99.92516	0.6
100.06156	0.6
101.02469	2.8
101.07203	4.0
107.02514	0.7
109.04077	8.6
113.02408	1.5
115.00405	3.9
116.05051	0.9
116.92850	1.5
123.04551	0.7
125.03565	2.3
125.07207	1.4
125.09754	1.7
127.05142	46.8
128.03540	11.3
128.05513	1.3
133.01447	3.7
134.03751	1.2
135.04553	2.5
136.01683	3.6
140.38835	0.6
142.12369	1.0
145.06201	35.6
146.06462	0.9
151.04015	4.1
161.02484	0.6
161.04607	0.7
165.12869	0.9
177.12798	0.6
179.03494	2.4
179.10796	2.4
182.15541	1.6
183.13937	0.7
193.12276	1.2
198.14989	0.6
203.10864	0.8
207.13860	0.8
210.15108	1.5
211.13298	0.9
216.45451	0.6
221.11787	1.0
223.09717	3.6
235.07903	1.1
237.16049	1.3
249.19783	5.5
250.20073	0.9
251.10788	1.8
251.17685	0.9
259.18140	0.8
269.08392	0.9
277.19266	0.9
285.03748	1.1
295.09747	2.3
295.20145	2.5
307.11884	0.7
339.05139	1.0
339.17960	1.3
340.11777	3.0
369.10306	1.2
437.26651	5.3
438.26437	1.0
455.27646	100.0
455.66855	1.9
456.21677	1.4
456.27988	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21888	3.7
52.75630	3.5
59.01365	9.2
71.01371	18.0
74.99103	96.5
85.28510	3.9
85.70892	4.1
86.27022	4.3
90.38444	3.6
91.49546	4.8
108.66676	4.0
108.74146	4.2
115.66238	3.6
117.74390	4.1
137.99405	4.0
145.06180	4.7
163.70065	4.3
277.21738	100.0
278.22021	9.4
321.17130	4.4
433.70190	4.4
455.35489	74.8
456.35486	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	455.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06632	0.7
55.01888	0.7
57.03456	3.2
57.97563	1.2
58.00600	1.2
59.01383	100.0
60.01722	1.1
61.98837	2.1
66.74841	0.9
71.01385	33.1
71.60300	0.7
72.99317	2.9
73.02950	15.4
73.03341	1.0
74.02477	0.8
75.00865	1.5
77.88238	0.6
78.95924	1.1
79.95747	0.7
81.03453	0.6
83.01382	5.5
85.02964	4.7
87.00875	1.4
89.02451	11.7
90.53764	0.7
93.59077	0.6
93.88139	0.6
95.01420	0.9
96.96029	5.5
97.02959	0.6
97.06628	0.8
99.00907	1.5
101.02452	19.5
102.02792	0.8
106.77702	0.7
107.05025	1.1
113.02454	10.0
115.00378	10.3
116.05083	1.6
116.92911	0.8
119.03497	4.4
119.08720	0.7
127.05151	1.0
128.01738	1.3
128.03543	1.1
129.02037	1.1
131.03511	1.5
133.01440	11.2
133.02968	0.8
134.03745	2.0
135.04544	4.7
135.08214	0.7
137.00764	0.7
137.09738	12.4
138.10080	0.7
143.03526	2.3
146.03760	0.9
149.04623	0.8
151.04031	1.5
161.02513	1.6
161.04572	3.9
163.11301	1.1
163.99362	6.4
165.00160	8.9
165.01434	0.8
166.00960	0.7
177.01978	0.7
178.02762	1.0
179.01900	0.8
179.03560	2.5
179.05620	0.9
179.10890	0.9
180.02547	1.7
180.03941	1.0
186.21037	0.7
192.99669	0.7
215.14473	1.6
223.09839	1.0
224.01483	5.7
225.02229	2.4
226.09093	1.1
251.16521	1.4
253.08775	0.6
255.97522	0.7
264.10217	0.8
272.09000	0.7
275.09293	0.9
282.12329	0.7
293.10504	0.7
297.07724	1.4
311.25232	0.7
321.08182	2.7
339.09067	7.9
369.12204	1.2
395.20709	2.1
413.21967	2.9
455.16183	3.3
455.22818	2.4
455.28375	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17636	0.8
53.80433	0.8
57.97549	4.0
59.01376	5.2
61.98832	5.8
66.94789	0.8
71.01384	36.8
72.99345	1.9
73.02941	1.4
78.95899	1.2
85.02983	1.4
85.11171	1.1
88.97665	0.9
89.02441	2.0
96.96026	5.4
98.19856	2.4
115.00381	45.6
116.00690	1.8
122.49886	0.9
128.01762	5.2
129.02080	1.2
133.01440	40.8
133.02950	1.8
133.10172	1.7
134.01776	2.2
134.03740	1.1
134.04768	1.7
135.04543	11.5
135.11819	14.9
136.04868	5.8
161.04491	1.1
161.09660	1.5
165.00134	1.3
175.03952	2.1
179.03529	9.3
179.10788	94.4
180.03842	4.5
180.11172	6.3
195.97017	1.0
205.57840	1.0
223.09769	100.0
224.10069	7.1
285.03976	1.9
321.08197	2.4
329.11517	1.0
332.90350	1.1
339.10925	12.3
340.11151	1.2
384.09357	1.8
413.14499	1.3
455.27380	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	455.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94930	0.4
55.01874	1.6
57.03466	2.5
58.00585	1.2
59.01382	56.6
60.01697	0.4
61.98837	2.1
63.00821	0.4
69.03450	1.5
69.50106	3.5
71.01387	27.0
72.99310	1.5
73.02955	9.8
75.00874	0.8
79.95729	1.1
83.01385	4.5
85.02956	14.0
86.00130	0.4
87.00867	1.8
89.02446	6.3
95.01395	2.2
96.96016	11.8
97.02964	1.1
97.06613	0.6
99.00869	4.0
99.04523	2.2
100.04819	0.4
101.02452	14.1
103.00347	1.0
111.00890	0.6
113.02454	10.0
115.00370	1.2
119.03500	1.8
125.02438	0.8
129.01909	1.2
130.08701	0.4
133.01434	0.7
135.04509	1.8
142.02690	0.5
143.03488	1.3
151.04022	0.4
159.02985	0.7
161.02463	1.3
161.04530	3.9
170.88445	0.5
178.10020	0.7
179.03508	1.5
179.10724	0.5
184.03412	0.5
192.37030	0.4
199.07674	0.4
199.92075	0.4
233.15456	1.0
235.17035	16.6
236.17346	1.6
251.16486	6.6
252.17072	0.5
369.12231	6.2
369.22876	0.5
395.20792	8.6
396.21152	1.1
411.13293	2.5
412.13889	0.8
413.21802	18.8
414.21915	2.1
455.22867	100.0
456.23199	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	454.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
61.98834	100.0
70.22807	1.0
70.23197	1.2
79.95715	0.5
97.83369	0.5
147.26764	0.5
152.89386	0.4
228.86562	0.5
341.86050	0.6
350.89572	0.5
455.35312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90159	1.0
57.15422	0.9
59.01383	100.0
60.01716	1.7
61.98849	1.3
70.31140	1.5
70.31533	1.9
75.99915	0.8
76.61096	0.7
81.22305	0.8
99.70464	0.8
114.82006	0.9
128.77171	0.9
168.17874	0.9
171.10260	1.7
183.13995	1.1
200.63414	0.9
249.18622	43.3
250.18925	3.2
313.30679	1.0
455.35257	3.7
459.56659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0973
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.84116	0.3
59.01401	0.5
69.42349	2.1
71.01384	0.5
78.95907	83.3
96.96966	100.0
98.20702	0.4
115.00417	0.5
115.59464	0.3
116.92873	1.7
117.32531	0.3
118.03020	1.0
133.01437	0.6
138.98044	3.7
144.04533	0.8
144.08153	0.5
162.05621	1.3
165.00224	0.3
167.01758	0.6
184.08810	0.3
188.03476	2.0
194.98788	0.3
198.06694	1.2
199.00140	11.5
200.00443	0.5
209.04921	0.3
210.16005	0.3
212.08278	4.3
213.01707	11.3
213.08636	0.4
214.02075	0.3
217.49696	0.3
240.94774	0.3
241.07309	4.3
242.07774	0.3
243.09016	0.3
250.23711	0.3
253.17589	0.3
253.51477	0.3
255.08858	6.0
256.09229	0.5
257.60123	0.3
280.04193	0.3
295.06079	0.7
315.74887	0.4
339.04849	0.6
455.09641	23.6
456.10010	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	453.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14665	77.7
68.38559	84.4
74.46948	82.4
83.05055	87.2
221.41284	78.4
243.66199	92.0
274.47116	100.0
284.32443	81.9
379.27487	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14289	1.5
52.92823	1.3
59.01381	47.6
59.01679	2.9
61.98832	100.0
67.76804	1.6
70.19025	1.7
70.19370	6.3
71.01386	20.2
71.57075	1.6
73.02949	15.7
78.95935	2.1
79.95754	3.9
80.96543	2.2
83.01398	6.0
85.02965	4.2
88.16490	1.5
88.92497	1.5
96.96012	34.6
99.04568	2.2
101.02458	15.5
102.05643	2.4
109.02941	3.9
113.02456	4.7
115.00378	5.2
116.05088	2.9
125.02443	1.7
130.08740	2.4
132.82417	1.6
133.01483	3.3
135.04518	4.7
139.89688	1.5
143.03519	1.8
143.10770	20.9
146.04591	2.7
157.12415	2.2
161.04613	2.8
174.03238	3.9
179.03499	6.7
185.11848	2.5
203.05693	2.0
218.02188	2.8
231.13843	1.9
232.14177	2.1
233.04523	15.6
250.15526	1.8
294.11377	3.8
294.14401	2.7
325.82666	1.5
328.73300	1.7
337.83353	1.5
338.10336	2.1
338.19727	3.7
365.94403	1.7
365.99179	1.9
369.12219	26.4
411.13416	12.9
454.18448	4.4
455.12207	11.9
455.17999	2.7
455.34622	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97585	0.4
59.01381	1.5
61.08428	0.3
61.57851	0.3
61.98835	100.0
66.52106	0.4
70.59775	0.5
71.01384	0.4
92.38434	0.4
107.49162	0.3
248.91632	0.3
321.20776	0.4
358.51712	0.4
455.35287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82788	0.1
57.80183	0.1
58.02979	0.2
61.03964	0.1
65.79167	0.1
71.01383	0.9
80.05071	0.4
81.03464	8.4
82.03810	0.2
83.05031	24.7
84.05370	0.6
100.07695	0.3
107.06165	0.8
108.04556	0.9
115.00381	0.6
125.07215	3.0
126.05602	0.6
133.01431	1.3
143.08284	1.4
176.01779	0.5
190.03435	0.2
199.18224	0.2
204.04820	0.3
207.15044	3.3
208.13214	0.1
224.17696	4.7
225.16086	12.1
226.16420	0.8
229.79880	0.1
237.56087	0.1
242.18716	1.5
247.05405	0.8
249.43567	0.1
250.15526	0.3
266.18817	0.2
268.16614	0.2
290.22363	0.3
291.04602	0.2
307.23886	0.2
308.23520	0.2
309.21826	0.7
324.26556	1.9
325.27060	0.2
333.22934	3.9
334.23206	0.4
335.03323	0.3
339.27771	0.2
351.24103	0.9
367.27206	1.2
385.28067	0.2
393.79779	0.2
433.31863	5.8
434.32047	0.9
451.32910	100.0
452.33218	15.1
452.40106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96391	0.3
70.80748	0.4
76.35703	0.2
76.64684	0.2
77.40897	0.2
78.95907	20.2
90.41088	0.2
104.97454	0.2
107.55671	0.2
109.38415	0.2
118.17035	0.2
122.00163	1.1
122.98546	0.2
134.98412	0.3
140.01187	4.9
151.63702	0.2
152.99600	1.8
177.10088	0.2
196.03802	10.5
197.04124	0.3
214.04865	2.2
237.22185	0.2
255.23293	100.0
256.23627	9.9
302.63745	0.2
410.08643	0.2
452.27820	26.0
453.28186	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	452.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.7
69.34500	4.9
74.80972	0.5
78.95905	6.8
94.06820	0.5
96.62773	0.7
132.90533	0.4
140.01189	1.4
152.99504	1.1
153.28827	0.6
196.03793	1.1
214.04880	2.5
255.23299	100.0
256.23624	9.0
452.27844	8.9
453.28094	1.4
463.18427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29641	0.9
59.01385	100.0
61.98828	3.6
69.55300	6.7
71.01376	2.0
78.95902	1.4
79.95746	1.5
81.03457	2.9
83.05031	14.0
84.66496	1.0
96.96018	6.9
98.19907	2.0
125.09768	1.1
148.29395	1.0
272.06146	1.1
391.29678	37.7
392.29974	6.1
402.50150	1.0
409.15527	2.6
451.15765	6.0
461.84433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70012	0.6
57.97559	1.0
59.01384	100.0
59.27438	0.6
61.98844	1.8
70.91338	1.0
70.91666	1.3
78.95908	1.0
81.03465	3.1
83.05032	14.2
90.45464	0.7
93.03533	0.8
136.06157	0.8
175.02626	0.7
198.21608	0.6
200.72556	0.7
255.18541	0.8
347.39441	0.6
391.29694	43.2
392.30029	5.9
451.15729	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22883	1.0
57.97546	1.2
59.01374	6.4
61.98828	3.4
65.78680	1.0
69.26295	10.3
71.01360	1.7
78.95882	2.0
81.03463	2.5
83.05029	4.6
89.02464	1.8
91.03999	2.1
95.05048	1.3
97.06592	2.3
98.20662	2.1
101.06096	1.4
107.05024	3.0
109.06602	5.4
111.08178	2.3
137.09711	2.1
145.57137	0.9
152.99615	2.0
158.89291	1.9
159.89346	1.9
181.12389	1.4
185.11879	1.8
196.14204	1.0
211.13402	2.4
219.10336	1.4
219.13760	1.2
221.15407	1.2
237.15077	1.5
237.18546	1.2
239.16460	8.9
247.13319	1.5
247.17023	1.4
249.15114	1.4
251.16469	1.7
261.14932	1.3
265.18106	4.9
275.16592	2.6
277.18118	1.9
287.23889	3.9
297.22287	5.5
305.24741	5.1
313.21628	5.6
315.23270	13.2
316.23611	2.0
318.09576	1.2
323.20093	2.4
323.70554	1.3
331.22797	9.1
332.23087	1.3
333.24368	12.1
341.21201	17.4
342.21634	1.9
349.23767	3.2
359.22260	38.1
360.22464	6.2
377.23331	100.0
378.23651	10.8
451.26999	62.1
451.33359	2.5
452.09927	1.2
452.27271	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	451.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
71.47399	0.4
73.24059	0.3
74.59547	0.4
78.95910	12.5
81.70116	0.4
90.22831	0.4
110.98542	10.1
117.21374	0.3
118.96613	0.4
124.80173	0.4
135.82664	0.4
152.99527	0.4
167.01154	12.4
185.02194	2.6
221.37839	0.3
283.26434	100.0
284.26743	11.3
298.98636	0.5
363.65656	0.3
399.45380	0.4
451.28293	21.0
452.28714	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90678	1.1
57.03441	1.3
59.01385	7.4
61.98837	2.6
69.03442	1.7
70.02211	2.9
70.02603	1.9
71.01366	1.2
71.05032	1.7
76.59842	1.0
81.03474	2.6
83.05025	4.1
89.02496	1.7
91.04028	2.4
96.95975	1.5
97.06614	1.3
107.05024	3.6
109.06593	3.5
111.08152	1.4
116.05057	3.2
121.17845	1.3
133.06612	1.8
135.08171	1.8
137.09724	1.8
149.15163	1.1
152.99666	1.8
159.89279	1.0
179.14394	1.4
183.10234	1.0
190.30518	1.0
195.13788	1.1
203.14468	2.1
211.13417	4.7
211.17160	1.2
213.14967	4.0
237.14902	1.6
237.18648	2.3
239.16518	11.4
247.13412	4.4
249.34192	1.2
251.16495	3.5
254.54274	1.3
265.18103	5.5
275.16470	2.4
277.18149	2.5
285.22153	2.0
287.23840	3.3
297.22223	6.4
305.24799	6.2
313.21680	3.7
315.23288	13.3
322.11014	2.6
323.20074	2.4
331.22861	7.0
333.24353	14.2
334.24942	1.8
341.21133	9.3
342.21658	2.5
349.23798	2.1
359.22272	48.5
360.22485	6.2
377.23331	100.0
378.23798	11.8
451.27026	70.0
452.27545	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	451.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82311	0.6
69.84946	2.5
69.96304	0.6
71.01389	8.1
99.92590	30.0
99.93250	1.4
100.92671	1.1
100.93372	3.5
115.92080	100.0
116.92124	5.0
116.92861	71.0
117.92908	4.7
132.92360	0.9
137.61382	0.6
172.95477	38.6
173.95480	3.3
216.77783	0.7
243.58969	0.7
265.43097	0.7
277.21750	0.8
304.97040	0.7
358.80554	0.7
366.51593	0.7
377.14316	1.1
391.11880	0.8
393.14267	0.8
433.17160	1.6
451.17957	2.8
451.30710	1.0
452.17749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01270	0.7
59.01096	1.0
59.01387	20.4
60.01720	0.9
61.01802	1.5
61.54619	0.8
61.93966	0.8
67.68105	0.7
70.03555	1.7
70.03970	2.1
71.01390	5.8
72.00900	1.6
73.02948	3.5
76.64079	0.7
78.65151	0.8
79.95740	6.8
80.96527	3.0
81.95336	4.5
82.96113	2.3
83.01363	0.9
85.02952	1.6
87.00917	0.8
89.02454	1.4
95.02449	0.7
95.95208	2.2
96.00916	12.1
96.96017	99.4
97.95947	3.0
98.02486	3.2
98.95594	80.9
98.96420	14.3
99.05650	3.3
101.02459	4.6
103.00379	8.1
105.00775	1.6
109.01691	1.9
113.02454	1.3
115.00354	1.8
116.72092	0.8
117.03452	1.9
118.06609	3.7
133.01401	1.2
133.02921	1.2
138.97119	1.5
140.96671	0.9
141.06772	1.3
145.02988	6.4
146.03271	1.3
147.04585	1.5
150.96971	0.9
161.02405	1.2
164.07184	6.3
164.98596	1.3
166.98253	1.5
177.03979	0.8
180.98146	1.9
182.97610	1.4
184.04340	1.1
189.07071	9.2
204.14975	0.8
224.27139	0.7
224.96259	0.8
227.03384	0.9
241.00160	2.7
242.00565	1.0
243.00056	2.4
244.06140	2.9
252.73512	0.9
255.02956	2.3
261.08890	1.9
283.02557	1.7
284.02881	1.4
285.04004	6.4
286.04333	3.0
286.08755	4.6
338.55811	0.8
347.06403	1.8
363.07617	10.6
364.07925	8.6
365.07465	100.0
366.07626	7.8
369.08813	2.2
369.59332	4.3
370.09387	0.9
377.58859	1.7
405.08640	1.7
406.09048	1.4
407.08582	49.9
408.08972	4.0
433.06436	1.9
450.61731	0.9
451.07562	27.0
451.16403	64.1
452.08090	1.8
452.16858	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	451.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10760	5.4
55.17083	5.5
59.01374	8.4
61.46101	5.5
61.98841	33.7
70.88065	5.3
71.01368	8.7
71.07757	14.1
72.99316	10.6
73.28986	5.5
89.02448	24.0
92.92804	17.4
94.92518	8.3
96.23030	6.2
101.02466	10.6
108.90253	27.8
119.94749	10.0
166.89822	5.4
168.02690	9.3
228.66846	6.2
236.44910	6.5
374.08118	6.5
415.14594	100.0
451.12210	81.6
452.12396	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	450.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73612	0.5
56.75862	0.4
57.97563	35.2
59.01376	3.7
61.29138	0.4
61.98832	4.1
67.88253	0.6
69.42801	3.8
71.01387	5.6
72.99319	0.7
73.00494	0.4
77.08193	0.4
78.86676	0.4
79.95734	5.9
80.62866	0.4
80.96528	1.5
83.01365	0.7
85.02946	1.1
89.02454	0.5
95.60275	0.5
95.95245	3.6
96.96014	100.0
97.95932	1.0
98.95600	3.1
98.96426	0.8
101.02439	1.9
113.02440	0.9
115.00378	6.9
122.97597	0.6
133.01454	5.4
133.02957	1.1
135.04552	0.7
138.97052	1.1
143.03600	0.6
145.02844	0.5
150.97104	0.9
152.98610	1.8
159.04512	1.5
161.02406	1.1
165.00102	0.5
166.00906	0.6
172.05336	3.5
173.06096	4.8
174.06830	1.2
175.03862	0.5
175.07645	0.7
177.01865	0.8
177.04121	0.5
179.03482	0.8
180.98077	2.6
183.04393	0.5
185.06046	2.2
186.06906	2.2
187.04037	1.2
187.07651	4.0
188.04750	1.6
190.00922	1.9
191.01733	0.8
199.03995	1.8
199.07666	0.6
200.04794	17.2
201.05293	1.7
201.09222	3.4
202.06329	1.8
203.07031	1.1
204.02534	0.5
204.04333	0.8
211.07646	1.1
214.06276	1.0
217.08734	6.9
219.04900	4.3
225.00714	0.8
226.71106	0.5
229.08682	28.0
230.08980	2.2
231.06857	0.5
231.10297	2.7
234.03432	0.7
241.00252	5.9
241.65553	0.6
242.00502	0.9
245.06332	0.6
256.99756	2.2
263.07468	30.2
264.07834	2.4
275.09241	2.0
283.02530	0.6
285.04050	2.8
307.06387	1.2
334.07419	0.7
352.24002	0.5
364.07770	0.7
377.08817	2.0
406.08859	0.6
450.15189	37.1
451.16400	82.0
469.12750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44128	1.0
57.03457	7.4
58.52936	1.1
59.01383	70.8
61.98827	6.6
67.01892	2.0
68.99799	1.6
71.01389	28.6
72.99320	6.6
73.02936	2.4
75.00876	20.1
75.14064	1.1
79.95733	1.8
81.03468	1.6
83.05040	1.9
85.02955	26.7
87.00890	8.7
89.02441	5.0
93.03470	3.4
95.01380	6.5
96.96010	16.6
99.00885	8.8
101.02453	3.9
102.05603	2.1
103.00376	2.3
111.00931	1.6
113.02459	29.8
113.09727	17.9
115.00366	7.1
116.05060	3.7
117.01927	2.5
127.05083	1.7
128.03558	2.7
129.01973	2.9
133.01385	1.6
134.03754	2.5
135.04538	1.9
137.02490	1.9
139.11299	2.5
145.06224	3.1
152.16167	1.3
152.97409	1.3
155.14357	2.2
156.89702	1.3
158.06128	2.8
162.03107	1.4
173.04503	2.4
175.02521	5.8
181.12317	4.2
199.13391	49.8
200.13730	2.6
205.07195	2.1
212.13795	1.8
231.05101	4.3
249.06160	42.7
250.06554	1.7
267.07309	8.5
275.09351	2.7
285.04016	1.9
287.14087	1.8
287.22092	1.4
360.31900	1.3
363.07651	8.4
405.08499	2.1
431.19333	4.4
449.20325	100.0
449.27222	8.3
450.20782	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81421	0.4
59.01386	8.6
60.02575	0.4
61.98820	3.4
70.91522	1.0
71.01388	5.1
81.34595	0.4
83.01384	0.8
85.02958	1.8
89.02447	2.7
94.06630	0.5
95.01386	0.6
95.03796	0.5
96.00900	1.2
96.08193	1.5
96.95997	1.3
97.01697	3.7
98.06120	0.9
100.04046	0.4
101.02465	1.1
102.41927	0.4
106.06620	1.2
106.96308	0.9
108.04559	0.9
108.08179	0.5
109.05344	1.2
110.06143	1.1
113.02457	2.7
115.00366	0.8
118.06648	1.3
119.03522	0.6
120.08173	0.8
120.82817	0.4
122.06207	0.4
124.07686	26.5
125.08028	1.2
126.05657	0.8
133.01395	0.4
133.02942	0.9
134.03705	0.7
134.06134	2.4
135.04518	0.8
136.04015	0.7
136.07668	0.6
137.04755	0.6
138.05611	1.2
138.09242	2.2
150.05620	0.4
161.02473	0.5
162.05614	5.6
163.06425	2.7
166.05098	0.4
176.07239	0.7
178.05104	4.7
192.06610	0.6
194.04642	1.1
196.13322	0.7
200.14490	1.6
213.10263	0.6
216.14001	0.5
217.85295	0.4
218.62987	0.4
227.00623	0.9
231.10333	0.5
243.15042	8.3
244.15427	0.6
255.02937	0.5
275.09186	1.4
283.14499	1.1
285.04083	1.2
287.14023	100.0
288.11328	0.8
288.14340	9.3
301.15570	2.5
308.82861	0.5
329.15073	16.1
330.15390	1.4
377.08676	0.6
449.19550	2.8
450.20029	0.6
450.93649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
57.03448	1.5
59.01383	9.1
61.29396	0.5
68.99841	0.6
69.03452	1.3
71.01388	12.8
71.36589	0.8
71.36932	0.9
72.99311	4.9
73.02954	3.9
73.60023	0.6
75.00882	10.8
78.55346	0.5
83.01410	0.8
85.02442	0.9
85.02953	13.9
87.00887	5.5
88.78585	0.6
89.02441	1.7
91.03996	0.6
95.01406	3.3
99.00889	6.8
103.00371	0.8
105.55030	0.6
111.00934	0.7
113.02454	11.6
115.00381	2.2
115.78003	0.5
117.01979	1.4
121.71483	0.6
129.01924	0.9
133.02946	1.4
135.08191	0.7
137.09724	7.1
145.44641	0.5
151.00345	0.9
155.10785	79.4
156.11142	3.8
157.01405	1.6
160.52007	0.6
161.02446	2.4
175.02492	2.8
181.08791	1.1
199.09758	14.6
231.05144	1.4
249.06169	15.2
255.02946	1.2
273.13458	9.8
283.02362	1.0
285.04034	3.6
297.90948	0.6
376.58432	1.2
377.08844	2.1
387.16507	1.8
428.12759	0.6
431.15527	3.1
449.16650	100.0
450.11316	1.1
450.17029	12.6
469.13556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.5
57.03461	0.5
58.00580	0.4
59.01098	0.6
59.01384	9.9
60.30900	0.4
61.98826	1.1
69.48974	3.2
71.01392	5.8
72.99299	0.6
83.01378	0.4
85.02964	2.4
89.02444	3.2
93.03466	1.2
94.06677	0.7
95.01389	0.8
95.03745	0.6
95.95251	0.6
96.00919	1.3
96.04653	0.5
96.08191	2.1
96.96013	2.1
97.01693	6.0
98.02479	0.8
98.06132	1.4
101.02425	2.0
106.06662	0.7
108.04561	0.8
109.01678	0.6
109.05331	1.7
110.06123	1.5
113.02450	3.0
115.00378	1.1
118.06616	1.9
120.08183	1.0
122.06110	1.5
124.07689	32.8
125.08014	1.4
126.05598	1.6
133.01453	0.7
133.02971	1.1
134.03751	0.9
134.06142	3.2
136.04022	0.7
136.07703	0.6
137.02423	0.6
138.05595	1.5
138.09216	0.7
145.06291	0.4
145.56468	0.4
150.05640	1.2
151.06349	0.7
158.06137	0.5
161.02454	1.1
162.05624	9.0
163.06406	4.8
166.05104	0.9
173.04601	0.5
176.07129	0.7
178.05115	7.6
179.03459	0.5
179.05537	0.6
192.06602	1.0
194.04604	1.5
200.14514	2.0
212.13751	0.7
243.15033	6.1
244.15282	0.4
274.21265	0.4
275.09296	1.4
283.02505	0.6
283.14499	0.6
285.04156	1.1
287.14023	100.0
287.22339	1.6
288.14362	10.0
301.15628	1.7
329.15063	15.9
329.19086	0.5
330.15353	2.1
333.05200	0.8
377.08737	1.0
392.15106	0.5
449.19305	4.1
449.27689	4.2
450.19781	0.6
450.27695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
64.01429	0.3
69.31663	2.9
78.95911	5.6
110.98536	5.3
152.99571	0.4
167.01125	2.6
185.02188	3.0
212.83850	0.3
248.63707	0.3
261.22220	0.3
273.51791	0.3
279.23291	100.0
280.23654	11.2
314.74545	0.3
373.49881	0.3
447.25134	7.7
448.25424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1504
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01381	3.0
61.98834	1.4
62.96414	24.9
67.98244	0.4
69.03444	0.5
69.36774	0.4
70.36319	1.8
71.01372	0.8
74.88013	0.4
78.95907	66.2
80.97472	36.6
81.03460	5.8
83.05031	12.1
88.70459	0.4
90.65708	0.5
91.05522	0.8
96.96000	0.8
107.05032	1.8
109.06605	2.5
111.04499	1.1
119.05021	2.3
121.06603	0.7
125.09723	1.1
132.14920	0.4
134.03716	0.4
147.08197	0.6
149.00093	16.4
152.99496	0.5
159.11787	0.7
161.02480	0.8
171.10283	11.3
172.10541	0.5
173.09665	0.5
175.11287	1.1
177.12830	0.8
179.01125	2.4
185.09628	1.2
192.29832	0.5
203.10786	3.3
205.15967	7.2
221.11847	0.9
242.95998	0.7
242.98274	5.8
255.16020	0.8
273.15070	0.9
285.04062	0.5
285.12595	1.9
291.15976	2.3
296.93542	0.5
329.20999	0.5
331.22830	0.5
347.22214	1.3
355.16800	19.1
356.16946	2.0
357.20819	2.6
375.21671	2.4
377.08716	0.5
385.17865	23.9
386.18185	3.5
390.99203	0.4
419.13940	0.6
431.24323	1.1
449.15021	100.0
449.24838	23.5
450.15326	12.5
450.25122	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2391
Annotation	Ugaferin
Peak:m/z	Relative Intensity
52.34948	1.8
52.36629	1.5
53.36500	1.6
57.03468	2.6
59.01385	21.8
61.98835	10.9
64.63215	1.7
65.03954	10.7
69.69095	1.7
71.01391	4.4
71.60359	2.8
78.95930	9.0
81.80509	1.8
89.02447	4.7
91.04008	6.4
91.05531	12.8
95.05537	1.8
96.96021	4.7
97.06599	4.7
103.05554	1.8
105.07124	3.4
107.05049	8.1
114.63842	1.8
116.05043	2.9
123.08154	2.7
125.06087	2.3
125.09742	24.8
131.08652	5.8
149.00046	1.9
151.00409	3.9
152.99594	4.0
157.06682	2.7
159.11810	42.3
163.42250	2.1
177.12883	2.2
185.09747	27.3
186.10095	2.6
201.47705	2.1
203.10780	9.7
211.13364	2.4
212.97911	1.9
235.13419	5.4
247.13345	4.5
261.14926	13.5
273.04123	2.7
284.03296	3.8
285.04013	2.4
301.18063	3.2
303.54297	2.6
311.20178	2.1
315.15912	2.0
329.21301	12.9
330.21411	2.0
355.19138	38.6
356.19733	4.7
373.20175	19.9
374.20700	2.9
438.93066	2.3
447.08398	2.6
447.13525	10.0
447.23871	100.0
448.24036	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92431	0.6
53.66280	0.6
58.00545	0.6
59.01383	100.0
60.01714	1.1
61.98832	4.2
71.01389	14.4
71.01770	1.1
71.33850	1.0
71.34184	1.1
73.02958	2.5
74.02493	0.6
74.91560	0.6
75.00863	1.0
82.75003	0.7
83.01414	1.8
85.02957	5.0
87.00869	0.7
89.02448	5.8
93.03479	1.2
95.01382	1.2
96.96006	4.9
97.96070	0.7
98.95598	5.3
98.96247	0.6
98.96487	0.6
99.00895	2.1
101.02448	7.2
103.00396	0.7
107.01406	1.3
108.15907	0.6
109.02979	0.6
113.02448	6.4
115.00388	2.9
119.03487	1.4
125.02440	1.3
133.01465	2.8
135.04547	0.8
143.03577	0.9
150.03273	0.7
151.00389	4.3
153.09250	1.7
159.03030	1.1
161.04567	10.6
178.99872	2.0
179.05617	1.5
189.12909	1.2
207.13977	1.7
211.13477	0.9
225.14961	2.0
227.03596	2.7
243.10294	2.6
245.04622	1.5
255.02953	3.8
257.04669	1.0
267.07098	0.8
273.03946	4.1
284.03323	2.5
285.04132	1.2
300.02664	1.0
301.03442	3.8
331.08234	1.3
351.53784	0.6
359.10046	0.8
360.10809	0.9
361.10123	8.6
362.10693	0.7
387.20334	6.6
403.11267	3.8
419.09952	1.5
446.65601	2.0
447.09595	7.2
447.15341	2.9
447.22394	2.0
448.09988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
56.55366	0.5
59.01384	100.0
60.01724	1.6
61.98849	1.9
66.55165	0.5
69.03485	0.6
70.14965	2.1
71.01389	9.1
72.99339	0.9
73.02952	4.8
78.95911	1.5
79.95746	0.9
83.01411	2.0
85.02959	2.0
87.00883	0.5
89.02462	4.4
95.95244	0.8
96.96003	3.1
97.31093	0.5
99.00917	0.6
101.02443	8.5
107.01401	0.6
108.86123	0.5
113.02473	3.0
115.00376	1.0
119.02738	0.5
119.03522	2.1
125.02471	1.0
131.03554	0.8
133.01494	1.3
133.03033	0.6
136.07578	0.7
138.55385	0.5
143.03513	1.1
146.08353	0.8
149.04614	1.1
151.00354	1.3
161.04575	3.4
178.99825	0.6
179.05708	1.1
183.13951	1.9
193.12155	0.5
211.13405	20.2
211.15384	1.1
212.13788	1.6
227.03587	2.3
253.09378	2.3
255.03009	3.6
273.04102	1.0
284.03281	3.0
285.04108	2.4
285.12433	1.5
301.03665	1.5
327.18280	1.4
345.19193	3.1
387.20444	1.6
419.10010	0.9
447.09515	4.5
447.21640	1.1
447.26740	0.9
448.26953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.61853	0.5
60.01734	1.2
61.98843	2.4
70.34525	1.9
71.01389	6.1
80.67741	0.4
85.02965	0.9
89.02448	6.7
96.46720	0.5
96.96037	0.6
101.02444	4.0
113.02449	2.3
119.03505	3.5
131.03450	0.6
143.03551	1.3
151.00394	0.8
161.04533	3.0
179.05669	1.9
189.12895	2.2
207.13853	0.6
300.02463	0.6
301.03558	1.7
322.48367	0.5
328.64258	0.5
364.33649	0.5
367.22864	0.6
387.20197	3.9
447.09418	1.6
447.22586	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59767	0.4
54.35000	0.4
57.03471	1.1
59.01384	100.0
60.01727	1.4
63.02408	0.6
63.36468	0.4
65.00324	0.6
70.59132	0.5
70.72852	0.9
71.01385	9.6
73.02967	2.8
83.01418	1.1
85.02965	2.9
87.38521	0.5
89.02464	3.0
90.87842	0.5
95.01390	1.1
95.81026	0.4
95.95271	1.2
96.82139	0.5
96.96043	2.0
98.29834	0.5
99.00877	0.9
101.02445	5.8
107.01414	1.1
107.68389	0.5
109.02970	0.7
111.14077	0.5
113.02453	3.8
119.03555	0.8
121.02945	1.0
125.02509	0.5
143.03528	0.5
151.00383	4.2
159.03008	1.1
161.04567	9.3
163.00510	0.5
165.02003	0.6
172.04884	0.5
179.05574	0.5
185.06165	0.5
187.04013	0.8
189.12889	1.7
199.03958	1.0
200.04370	0.6
201.05656	0.6
207.13988	1.3
210.06502	0.5
211.04010	0.6
225.15007	1.0
227.03455	3.5
228.03775	1.2
229.04980	0.8
231.02950	0.5
232.78249	0.5
243.03012	1.2
253.86453	0.5
255.02937	4.8
256.03650	1.4
271.02530	6.8
272.02866	8.8
272.05612	0.8
273.03241	0.6
283.19925	0.5
284.03342	1.6
284.08536	0.5
285.04089	0.9
299.01950	6.7
300.02341	16.9
301.03552	19.2
302.03925	1.8
327.05252	0.6
331.54456	0.5
361.06314	0.7
387.20358	2.2
447.09155	22.3
447.22333	1.3
448.09567	2.1
448.23013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47671	0.3
59.01384	100.0
60.01718	1.0
69.83871	2.1
71.01389	9.0
73.02959	2.8
83.01402	0.7
85.02957	3.2
89.02449	2.9
91.20721	0.4
95.01392	0.5
96.96040	0.6
99.00898	0.8
101.02453	5.1
113.02454	4.6
119.03503	1.1
125.83399	0.3
127.05164	0.5
143.03555	0.7
145.06216	1.6
146.04602	0.7
159.02985	0.9
161.04562	7.8
162.04918	0.6
171.11575	0.5
179.05637	1.3
180.53508	0.4
182.25676	0.4
189.12833	2.7
207.13858	1.9
225.14973	0.7
239.71544	0.4
285.04153	1.3
447.22269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	69.6
60.86184	11.5
61.98829	13.3
71.01372	35.7
98.19830	22.4
101.02489	12.8
117.72669	10.8
124.16974	12.4
149.24202	12.0
174.40254	13.4
227.03487	13.3
249.18527	100.0
255.02789	16.3
284.03180	22.5
285.03943	37.2
291.19589	22.0
301.03506	13.2
335.28442	13.6
355.19431	15.2
387.20081	15.7
439.58502	13.2
447.09250	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32034	8.6
55.63503	8.5
59.01379	74.7
61.98837	34.9
66.75667	9.2
69.27873	100.0
78.95916	30.0
87.02134	8.7
96.96004	13.1
98.19914	22.1
99.92612	9.7
100.97921	9.6
101.75706	8.6
109.44969	9.9
113.37643	9.4
116.92896	24.4
121.02934	14.1
127.08965	10.0
152.99603	34.8
165.62349	8.6
178.97124	9.3
249.18654	10.9
255.03073	13.5
269.28094	10.4
284.03137	39.1
285.04041	86.3
319.90756	9.9
349.20236	12.5
383.99667	10.1
447.09329	63.0
448.30710	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	447.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54684	0.2
59.01377	0.3
61.98854	0.4
62.96413	1.0
71.08661	0.2
71.09013	0.6
78.95908	43.0
96.96957	2.5
149.00101	21.2
150.00433	0.3
152.99648	0.5
158.92542	1.5
179.01154	2.7
194.18974	0.3
205.16049	1.4
220.56454	0.2
240.96797	0.4
267.11508	0.5
417.12360	0.8
420.33978	0.3
431.10336	2.3
447.13431	100.0
448.13766	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	447.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97422	0.4
53.98297	0.4
59.01096	0.8
59.01385	13.6
61.98840	2.8
68.71703	0.4
69.52176	1.4
69.52599	1.6
71.01385	5.8
73.02948	0.5
75.00882	0.6
78.95916	1.0
83.01378	0.8
85.02958	2.0
87.00906	0.6
87.04498	0.6
88.87114	0.5
89.02462	3.2
95.01384	1.1
95.95243	0.5
96.96002	3.3
101.02451	2.1
106.06629	4.1
107.03781	2.0
113.02451	3.5
118.06620	3.3
119.03500	1.0
121.02962	0.6
121.05325	0.7
122.06126	48.9
123.06470	2.0
133.01431	0.5
134.06137	3.5
136.07680	7.8
150.05580	1.5
151.00383	0.9
155.10730	0.5
161.04602	0.8
162.05615	9.1
163.06395	1.5
166.05049	0.6
178.05128	4.2
178.99821	0.7
179.62141	0.4
183.13893	1.7
193.12198	0.5
194.04521	0.7
203.08331	0.5
211.08868	1.3
211.13409	24.5
212.13727	1.8
214.12396	1.0
225.10286	0.6
225.15056	0.7
226.11110	1.2
227.03456	1.5
240.12770	0.7
241.13463	9.3
242.13725	0.5
253.09285	2.7
253.13487	0.5
255.02980	1.9
255.11252	0.6
273.04077	0.8
277.82855	0.5
284.03369	1.5
284.11786	0.8
285.12448	100.0
286.12781	9.1
299.13876	2.5
327.13501	16.0
327.17380	0.9
328.13849	1.8
387.15308	0.5
419.09824	0.6
447.09555	2.4
447.17532	3.8
447.22739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	81.9
60.41404	4.5
70.05254	15.5
70.05664	9.8
71.01389	26.4
71.17867	4.9
93.03469	6.6
96.36299	4.7
96.96014	68.2
101.02457	8.4
113.02436	12.3
115.00368	12.7
125.02422	5.8
148.05305	100.0
151.00392	26.1
163.07649	93.9
174.08180	4.4
178.99898	17.4
201.51181	4.4
202.06335	12.1
206.99329	5.6
211.13321	38.7
212.13910	4.7
231.10277	14.2
245.04579	9.8
249.11380	11.3
253.09351	6.3
255.03004	9.0
257.09192	5.3
273.04050	28.8
284.03433	6.5
301.03522	20.2
327.42337	5.5
344.11969	5.5
387.20197	7.1
419.09726	17.4
447.09598	16.7
447.26257	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82875	0.6
71.03288	1.1
79.96812	0.6
125.02362	0.8
127.70087	0.7
143.04918	0.6
151.00351	1.9
163.00354	0.7
163.51294	0.7
171.04396	0.7
183.04504	1.7
187.04051	1.1
211.03978	2.2
227.03503	80.4
228.03865	5.4
229.05037	1.7
255.02989	99.5
256.03516	12.7
257.04391	1.8
284.03265	59.1
285.04001	27.3
286.04474	2.3
327.04959	1.0
447.09335	100.0
448.09598	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	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44661	0.4
59.01373	1.8
61.98826	1.6
69.84957	2.3
98.20528	0.7
107.01411	1.0
108.02264	0.4
109.02902	0.5
122.42843	0.4
128.78194	0.5
132.02203	0.4
138.87503	0.4
151.00360	2.5
159.04575	0.5
169.06635	0.4
178.99858	0.7
183.04489	1.5
185.06133	0.5
187.03935	0.9
211.03975	2.0
227.03502	64.8
228.03865	6.1
229.05008	1.6
239.03474	0.6
255.02988	83.7
256.03522	13.1
257.04401	1.4
284.03268	72.5
285.03955	22.6
286.04437	1.4
327.05078	1.6
331.08215	0.6
447.09326	100.0
448.09717	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	446.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91906	1.9
59.01384	68.4
60.01714	6.2
61.98836	100.0
71.08479	5.1
73.02940	1.9
78.95899	11.0
86.06637	1.9
90.13547	2.0
93.67145	1.9
137.61629	2.2
149.00034	3.5
152.99577	9.9
169.43155	2.1
176.14803	2.1
186.72725	2.1
267.62271	2.0
285.03976	3.8
356.17075	11.5
386.18231	7.1
398.62302	2.2
429.22650	4.2
446.20593	2.9
446.29288	4.4
447.23499	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	447.0935
Annotation	Quercetin-7-O-rhamnoside
Peak:m/z	Relative Intensity
59.01383	7.7
61.98825	1.8
63.02399	3.3
65.00331	9.1
69.61103	3.4
71.01396	1.8
83.01384	5.7
85.02934	0.6
89.02435	0.8
93.03461	2.9
94.91603	0.5
95.01411	0.5
96.96014	3.9
98.20602	0.8
101.02440	1.0
107.01395	18.5
108.01598	0.6
108.02232	0.7
109.02988	2.9
110.22668	0.4
113.02444	0.6
113.89111	0.4
115.00396	0.5
119.03501	0.6
119.05015	0.5
121.02957	15.3
122.03293	0.8
124.01672	1.7
133.01447	0.8
139.04005	0.9
148.01683	1.8
149.02449	1.5
149.99629	0.8
151.00374	67.2
152.00676	2.4
161.02386	0.6
163.00388	1.6
163.04001	1.1
164.01129	2.6
165.01717	0.5
169.01466	1.2
175.03989	0.7
178.99864	3.8
183.04535	0.7
187.04060	0.6
192.00632	0.8
193.01440	0.8
201.05533	0.8
203.03485	0.4
211.04034	1.5
216.04343	0.5
227.03488	2.8
229.04976	1.7
239.03407	0.6
241.00241	0.8
243.02904	1.2
245.04486	0.7
249.11287	0.6
255.02960	3.8
257.04654	0.7
271.02460	1.8
272.03210	1.2
273.03989	3.1
283.02481	1.7
284.03339	2.6
285.04208	1.0
285.07599	0.9
297.06119	1.0
299.02051	0.5
300.02768	39.5
301.03531	100.0
302.03873	9.8
325.05359	0.6
361.06006	1.3
447.09311	76.7
448.03668	0.7
448.09680	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	446.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	22.1
59.02454	0.5
60.01701	1.2
61.98835	100.0
69.41408	2.9
69.41815	1.0
70.31644	0.4
98.20649	0.9
115.02526	1.0
117.00459	1.7
117.02273	0.7
118.00671	0.5
119.00201	0.7
159.01520	12.4
160.01627	6.4
161.01213	8.9
161.02325	0.6
161.98962	23.1
162.99017	1.0
201.02567	3.3
202.02725	2.5
203.02287	2.9
203.99983	6.3
205.00230	0.9
261.99011	0.9
262.01837	0.6
300.54538	0.5
301.02744	1.4
302.02887	8.3
303.02530	13.3
304.00000	50.2
304.02765	7.3
305.00055	9.0
436.48495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64597	1.9
59.01382	100.0
61.98827	7.4
62.88625	2.0
65.02419	1.8
67.69963	2.1
69.14141	2.5
71.01403	3.1
71.60141	2.8
78.95908	6.5
91.04051	2.3
107.81216	2.0
121.02969	2.8
126.55576	1.9
131.34557	2.1
138.95064	2.1
152.99582	5.9
158.06047	2.9
164.02298	2.3
181.06586	2.0
218.08197	5.7
262.07602	2.4
263.09290	2.7
264.93527	2.0
269.04599	2.5
277.21759	8.2
311.22495	13.7
399.00076	2.0
445.11700	2.2
445.29971	44.9
446.29736	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56947	1.1
59.01382	100.0
61.98827	1.9
70.66369	3.3
72.99290	1.9
78.95889	5.3
85.20044	1.0
86.72587	1.2
88.49549	1.0
89.02424	1.9
91.04023	2.1
96.96030	1.3
121.02971	2.2
121.59111	0.9
130.06612	1.2
152.99556	4.0
158.06134	5.1
164.63792	1.1
196.03821	1.9
210.13539	1.1
218.08226	10.5
249.18617	10.1
293.21085	1.6
311.22321	18.0
312.22571	1.6
337.17700	1.3
445.25336	2.3
446.23029	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	445.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18992	0.6
53.30700	0.7
55.01885	1.3
56.26461	0.7
58.00585	1.2
59.01383	84.5
60.01707	1.2
61.98827	2.7
66.60634	0.6
69.03437	1.6
69.72448	1.9
69.72853	1.6
71.01386	46.4
72.01722	0.8
72.99305	3.1
73.02950	36.0
73.85912	0.6
74.03271	0.8
75.47542	0.6
83.01396	10.7
85.02953	5.9
87.00879	2.5
89.02446	14.0
95.01385	1.6
96.96017	3.5
99.00890	2.3
101.02450	35.7
102.02801	1.1
111.04549	0.7
113.02452	11.7
116.05045	5.4
117.05429	1.7
119.03529	5.1
121.02963	2.2
125.02452	1.5
127.07665	1.1
131.03517	1.6
143.03452	1.8
149.04535	0.8
160.04065	0.6
161.04515	3.8
162.65181	0.7
200.95770	0.8
205.15950	0.8
209.11732	1.2
223.17043	34.1
224.17352	3.0
241.18149	3.2
277.09326	0.9
283.11081	0.9
284.11316	2.0
313.07025	0.8
328.10245	0.8
329.23337	0.7
385.22333	13.9
386.22794	1.0
403.23352	29.1
404.23788	3.6
445.16061	4.0
445.24442	100.0
446.24872	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37632	0.4
53.42793	0.4
54.03417	0.4
59.01372	1.0
71.37907	0.7
76.35490	0.4
78.95913	8.5
90.91502	0.4
110.98534	5.7
128.95723	0.4
152.99625	0.5
155.20253	0.5
167.01140	3.3
185.02188	4.2
277.21725	100.0
278.22073	11.2
445.23596	8.2
446.23929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
64.26913	0.4
69.34221	4.2
71.01398	0.6
78.95908	21.9
78.96375	1.1
94.99040	0.5
104.48167	0.4
104.97498	0.6
110.23466	0.6
110.98543	14.5
114.14967	0.5
136.24138	0.5
137.00090	0.6
141.68062	0.4
152.99522	0.5
156.46866	0.5
167.01149	15.8
185.02226	2.9
259.20624	0.6
277.21722	100.0
278.22073	10.3
375.38837	0.5
390.45111	0.5
433.16425	0.5
445.23578	19.7
446.23865	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	445.2082
Annotation	Dendroside G
Peak:m/z	Relative Intensity
55.01879	1.0
57.03424	1.0
57.97568	1.2
58.00589	0.9
59.01385	30.4
61.98821	2.3
69.03467	0.9
69.33310	6.4
71.01390	19.3
71.05006	2.2
72.01718	0.8
72.99294	1.8
73.02945	3.2
79.95744	2.1
83.01402	1.7
83.05019	2.1
85.02962	7.1
87.00881	1.7
89.02446	7.9
95.01417	1.3
95.05009	1.3
95.95226	1.4
96.95438	1.4
96.96023	18.2
99.00856	0.8
101.02449	8.4
101.06075	5.0
107.05017	1.0
113.02456	5.4
115.00389	1.4
116.05076	1.8
119.03511	1.4
120.01194	1.0
127.07692	0.8
133.01437	1.4
133.13675	0.7
134.03761	1.3
135.04527	1.3
135.08176	0.8
149.09711	2.8
153.09230	1.0
161.04608	0.9
167.10849	1.2
172.89333	0.8
179.14365	1.3
181.08716	12.6
191.92148	0.8
195.10315	0.9
203.14461	1.0
209.11909	1.5
211.09770	3.1
219.07739	0.9
223.13379	0.8
229.40477	0.8
265.14386	2.6
283.15527	20.8
284.15796	1.8
299.01865	1.0
309.14792	1.5
324.18903	1.4
327.21814	0.9
427.19577	1.0
445.20764	100.0
446.15564	0.9
446.21274	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01719	0.9
61.98830	8.8
62.67670	0.4
70.91093	1.0
70.91429	0.8
71.01384	0.6
78.95914	4.6
79.93160	0.5
121.02994	0.9
149.00117	6.4
170.05946	0.5
175.70244	0.5
205.15941	6.1
355.16806	24.4
356.17245	2.5
356.37964	0.6
385.17853	13.3
385.22470	0.8
386.18304	1.5
445.20270	3.7
445.26379	1.5
446.20416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
56.13878	0.4
58.00593	0.6
59.01384	100.0
60.01711	1.1
61.98831	2.0
63.68295	0.4
66.30406	0.3
69.59602	2.9
71.01384	12.0
72.99332	0.9
73.02964	1.3
75.00883	0.4
80.73867	0.4
83.01423	0.7
83.05035	0.8
85.02962	4.0
87.00875	3.5
89.02451	13.2
89.02999	0.7
95.01404	0.8
96.96047	1.6
97.89542	0.4
99.00842	0.6
101.02457	7.9
111.00932	0.6
111.04530	0.7
113.02466	7.2
115.00382	1.1
117.02029	0.5
119.03519	6.2
131.03508	0.9
133.01450	1.8
135.04584	0.5
139.07623	0.5
143.03557	1.3
151.00458	0.4
153.09224	0.8
159.03046	0.6
161.04524	2.8
163.11250	0.6
175.02525	0.8
175.04037	0.5
176.08551	0.4
179.03607	0.4
179.04187	0.5
179.05624	3.3
187.11346	2.5
190.10150	0.4
205.12335	2.1
209.11833	11.0
210.12248	0.6
223.13448	1.1
233.11847	1.4
249.11409	0.6
253.09393	1.6
269.04556	8.2
269.07190	0.7
270.05032	0.9
277.14648	1.4
279.11490	0.5
283.02725	0.5
285.03815	0.6
297.07895	0.8
299.01813	0.4
309.07861	1.1
312.10184	0.8
327.12579	1.8
339.12717	1.6
359.09961	0.6
385.18845	3.4
424.72400	0.4
445.08353	0.5
445.15579	0.7
445.20157	1.9
445.26306	0.6
448.88040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21257	1.0
59.01096	1.4
59.01384	25.2
60.01690	1.3
61.98824	4.5
69.28633	8.8
69.29042	2.6
69.64649	1.0
71.01392	12.4
73.02961	7.1
82.00590	1.1
82.48117	1.0
83.01380	2.1
85.02943	1.5
89.02437	3.5
95.78429	1.1
96.96003	3.5
98.19875	1.5
101.02454	7.7
111.01109	1.0
113.02457	1.8
116.05072	100.0
117.05415	4.6
119.03497	1.1
121.02946	2.5
125.19498	1.0
132.04510	1.4
147.03256	2.4
160.04050	22.6
161.04478	1.9
163.69754	1.2
164.99605	1.2
179.43176	1.0
198.08095	1.4
199.08769	3.9
209.11903	5.5
212.10832	3.0
213.10352	1.2
223.16997	8.1
236.92580	1.2
240.05365	5.7
240.09087	4.3
253.05901	1.7
253.09412	1.7
254.06993	3.2
255.07765	14.2
255.11427	12.1
256.08234	2.2
256.11557	1.4
267.07819	3.9
268.08487	2.3
275.08289	4.3
276.09039	24.9
277.09506	2.9
283.10867	41.6
284.11230	4.0
309.08810	3.4
315.09979	3.0
327.09830	12.2
357.09821	1.2
372.13580	8.8
373.13898	1.2
377.08249	2.3
384.13474	2.1
385.22235	3.2
400.16486	5.1
403.23328	6.9
426.14890	5.3
444.15634	93.7
445.11264	0.8
445.15988	15.8
445.24548	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57646	4.8
50.65466	5.3
51.34831	3.9
57.03416	5.3
59.01382	77.1
59.69591	4.4
61.98837	54.6
62.29211	4.2
71.01391	45.1
71.16420	8.9
72.99348	5.3
73.02927	5.1
74.00713	6.0
79.95737	16.3
84.04551	21.2
85.02948	9.4
87.04507	13.3
89.02428	8.4
95.95239	13.1
96.96011	58.9
97.06586	4.7
101.02424	11.5
113.02440	7.0
115.00385	13.4
116.05027	5.6
120.01225	13.5
121.02944	8.1
128.03526	6.3
133.02975	5.4
134.03758	8.6
153.09171	6.1
209.11861	10.7
211.13377	14.6
229.14423	7.2
271.17355	100.0
272.17792	6.4
313.83896	5.4
320.14035	5.6
320.64108	4.8
329.19357	7.9
329.23242	68.3
358.12454	21.1
358.20462	9.4
359.12311	5.8
384.18045	5.8
400.13553	7.4
400.21579	93.1
401.21667	10.3
409.77097	5.9
421.14246	4.7
430.20242	4.8
444.19669	10.2
444.25659	10.5
445.24976	16.8
458.64554	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01724	1.2
68.23082	0.5
71.09114	1.2
71.22181	0.6
84.03417	0.7
91.04031	1.3
96.96025	1.0
111.08170	1.2
114.01713	0.5
197.11800	3.3
283.02411	0.6
291.19672	2.7
292.20282	0.7
309.20654	6.1
310.21100	0.9
344.90866	0.6
376.58209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01728	1.5
61.98827	1.6
66.98262	0.7
91.04025	2.0
96.96017	1.3
111.08191	1.1
115.92104	0.7
121.02987	4.1
161.02524	0.8
161.21330	0.7
197.11862	3.0
275.96255	0.7
291.19745	3.7
309.20712	7.5
310.21045	0.8
313.07205	0.8
400.70178	0.8
443.24030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16864	1.5
59.01383	100.0
61.98825	1.7
63.69689	1.0
64.46452	0.9
71.01390	3.0
71.60593	1.2
77.37202	1.0
82.21777	1.0
91.04016	5.1
101.02454	2.2
111.08176	2.1
116.05063	1.2
126.19452	1.1
141.01732	5.3
178.99982	1.2
197.11923	6.8
206.19830	1.0
211.13335	1.2
237.80406	1.1
257.10922	1.8
291.19611	5.3
309.20630	11.9
319.21054	2.7
370.79166	1.2
377.08508	1.4
401.21442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.229
Annotation	Radiosumin B
Peak:m/z	Relative Intensity
57.03444	4.0
59.01384	96.6
60.01708	2.4
61.74020	1.8
61.98837	12.0
69.03448	2.4
71.01388	65.9
71.60789	3.0
72.99306	6.5
73.02955	34.1
75.00877	3.1
75.02606	1.7
79.95728	4.8
83.01405	15.3
83.05030	2.5
84.04603	2.5
85.02942	11.8
87.00896	4.2
89.02456	10.4
92.60295	2.3
95.01403	3.6
95.95243	4.4
96.96011	28.3
97.02945	3.1
97.06606	3.8
99.00917	3.8
101.02450	37.4
108.92233	1.9
113.02471	12.0
115.00365	7.5
119.03548	3.5
125.63074	2.0
131.03540	3.8
133.01433	3.9
143.03484	3.0
143.07120	4.3
153.09253	2.0
161.04610	3.9
171.10286	9.4
197.11894	2.7
211.13420	8.3
218.51033	2.0
221.11960	2.3
221.15457	20.0
225.11334	2.8
229.14554	6.2
239.16573	4.5
320.13901	4.5
327.21765	67.7
328.22125	7.9
353.80194	2.3
357.12088	9.0
376.58392	2.5
383.20755	14.5
384.21045	2.3
399.13223	2.4
401.21851	31.3
402.22018	3.3
422.16852	2.0
443.22937	100.0
444.23343	12.3
445.91129	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01096	1.2
59.01382	15.6
61.98844	4.8
69.92649	3.2
71.01389	22.5
73.02947	3.7
79.95737	2.1
83.01376	1.6
83.05023	1.6
85.02972	5.7
89.02430	1.5
93.95186	0.7
95.05038	1.0
96.96017	29.9
97.06605	5.3
101.02442	3.7
102.66820	0.6
103.00372	2.3
103.89452	0.6
104.73939	0.6
113.02473	1.9
115.00378	12.1
125.09679	1.0
127.11320	1.0
133.01443	2.0
155.10670	1.0
161.02451	0.8
161.04543	1.0
164.96449	0.6
164.98643	0.7
167.14427	0.9
171.10262	8.3
177.12790	0.8
183.13879	2.2
185.11801	1.2
193.12448	1.1
209.11871	1.4
210.01915	0.8
211.13397	15.6
212.13750	1.6
221.11852	2.5
225.11305	0.7
229.14449	11.6
230.14883	1.0
239.12915	1.9
255.03049	0.9
265.18137	0.8
285.39566	0.7
291.19690	2.8
318.27835	0.8
327.21777	100.0
328.22134	9.1
357.07944	1.6
357.12256	28.6
358.12595	1.9
376.58667	0.9
399.13348	10.6
443.12308	6.9
443.23282	3.1
444.25476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	13.2
59.01377	17.3
66.03475	2.1
68.09103	1.7
68.61641	2.3
69.39217	6.9
69.39644	8.2
70.02987	2.1
71.01392	13.4
72.00908	3.3
73.02951	1.6
73.48858	1.7
74.02479	32.3
79.95726	3.8
80.03790	2.1
81.04600	2.1
82.02994	3.5
83.01406	1.7
84.04575	2.0
84.55550	1.7
85.02988	3.4
86.02473	12.9
86.06123	3.5
87.00884	2.2
87.05639	6.1
88.04046	2.8
89.02426	3.1
93.03461	7.1
96.96013	68.4
97.04095	4.2
99.05643	26.1
101.02455	4.2
101.07217	2.9
102.05604	4.9
103.00363	6.3
104.03573	3.6
105.01931	1.8
109.04077	5.8
110.09864	2.0
115.00371	12.3
115.92084	1.7
116.92814	2.1
119.05053	13.8
123.05666	3.6
125.02953	10.6
127.05143	7.1
128.03554	72.8
133.01451	11.7
135.04497	5.2
135.05646	5.9
137.07166	2.3
139.08740	2.1
140.05376	6.8
141.06718	3.6
143.04625	100.0
144.05000	3.3
145.06319	4.1
146.04637	13.0
153.06699	6.5
163.04004	7.9
164.98611	4.1
166.09827	5.5
167.04588	5.2
167.08264	4.1
170.06406	10.4
179.03433	2.9
179.04671	23.4
181.04018	2.4
181.06285	2.3
185.05782	3.5
195.10399	2.1
197.05702	5.1
210.08855	25.7
223.07658	2.2
228.09860	3.4
237.09123	5.1
239.04292	2.0
239.10768	5.0
241.00256	4.1
254.07832	45.3
255.08194	2.8
272.08868	72.4
273.09134	4.3
283.09662	8.4
314.11719	7.3
327.08749	26.3
328.08987	2.8
357.08630	57.1
358.08615	4.3
383.15323	2.8
399.09589	23.5
400.09872	2.0
425.14981	8.5
443.08728	18.4
443.16101	78.4
444.16400	5.4
444.24487	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	443.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61908	0.4
55.01839	0.4
59.01385	14.8
60.33276	0.4
69.47573	2.9
71.01385	1.6
72.99320	0.5
73.02966	0.7
79.95741	4.9
80.96515	2.5
83.01385	0.8
85.02955	1.1
96.96016	97.1
98.68472	0.4
101.02438	2.3
103.00375	9.4
108.42531	0.3
113.02407	0.6
115.70734	0.4
120.95986	0.5
138.97115	0.5
142.28378	0.4
149.31480	0.4
150.97165	0.5
152.98579	0.8
164.98647	3.2
180.98123	1.8
199.52699	0.4
233.68860	0.4
241.00250	3.2
267.17908	0.5
339.11237	1.9
357.12250	100.0
358.12610	8.3
399.13312	36.6
399.18738	1.0
400.13828	3.7
425.11322	1.4
443.12286	26.9
444.12616	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	443.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03454	0.6
59.01383	18.4
61.98828	0.7
69.26557	2.4
69.26971	1.1
71.00996	0.6
71.01389	12.6
72.01729	0.4
72.99333	0.5
73.02948	0.8
75.00908	0.4
75.51203	0.3
77.18386	0.3
78.47878	0.4
79.95747	5.6
80.96521	2.6
81.03455	0.6
83.01391	0.7
83.05014	2.0
84.05371	0.6
85.02959	4.0
89.02461	0.5
95.95313	0.4
96.96017	96.1
97.02966	0.4
97.06599	2.5
98.20663	0.8
101.02451	3.2
103.00381	9.1
113.02452	1.2
115.00376	5.8
122.97637	0.4
127.11271	0.4
133.01390	0.9
137.09741	0.6
138.97060	0.4
143.03520	0.6
145.05106	0.5
150.97072	1.1
152.98625	1.3
155.10799	0.5
155.14468	0.4
161.02441	0.5
161.04631	0.5
164.98663	2.7
165.12878	0.6
167.14474	0.8
171.10274	4.0
180.98114	2.3
181.12332	0.4
183.13893	2.3
193.12305	0.7
209.11832	0.9
211.13387	9.0
212.13699	0.6
221.11890	1.9
227.12831	0.4
229.14420	6.4
239.12912	1.2
241.00307	3.9
241.30957	0.3
242.00462	0.4
288.54956	0.4
291.19714	1.5
309.20703	0.4
327.21780	53.4
328.22141	4.9
333.73218	0.4
339.11194	1.7
357.12250	100.0
358.12564	8.5
376.58151	0.5
377.08328	0.4
399.13306	37.6
400.13547	2.8
425.11261	1.4
443.12299	25.9
443.23123	1.6
444.12643	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	442.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34704	0.5
59.01379	1.9
59.64133	0.5
69.46794	4.1
71.01385	18.7
72.99318	0.8
96.96023	3.3
109.02962	8.3
115.00385	25.9
116.05072	69.4
117.05408	2.7
133.01443	17.8
134.01761	0.6
135.04500	0.8
137.02495	1.2
142.06616	0.7
147.04521	6.3
154.06677	2.6
162.02473	0.5
205.56801	0.6
264.10303	100.0
265.10611	9.7
308.09299	22.3
308.12964	0.7
309.09525	2.4
344.54840	0.6
352.02689	0.5
370.11945	0.5
401.14630	0.6
424.10269	1.8
434.55368	0.5
443.16092	1.4
469.54520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.8
59.01678	0.8
71.01382	1.9
71.37679	0.7
73.02942	1.2
76.00804	0.5
78.50056	0.5
79.95742	5.3
80.96524	2.4
85.02953	1.5
95.95277	0.5
96.96013	100.0
101.02459	2.5
101.92781	0.4
103.00376	8.8
109.79681	0.4
113.02429	0.6
116.90212	0.4
119.33375	0.4
120.49133	0.4
134.27733	0.4
138.97028	0.6
150.97038	0.6
152.98624	1.0
160.43678	0.5
164.98674	2.1
166.47594	0.4
169.78036	0.4
180.98112	1.6
190.79166	0.4
241.00249	2.8
320.13971	0.5
337.50876	0.5
339.11206	2.0
357.12238	93.4
358.08081	0.7
358.12543	9.0
389.19324	0.5
399.13284	37.4
400.13617	3.2
425.11264	1.8
443.12283	23.5
444.12393	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	441.2495
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
59.01382	100.0
60.01710	1.3
61.98839	1.2
71.01389	7.1
71.01764	0.6
71.60014	0.7
72.99317	0.6
73.02939	3.1
83.01391	1.0
85.02948	2.2
85.44418	0.4
89.02450	2.7
99.00864	0.7
101.02449	4.8
113.02457	2.7
119.03532	0.9
128.03583	0.5
154.02895	0.4
161.04594	1.8
179.05681	0.4
221.32999	0.4
399.24136	0.6
453.50897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2497
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
52.68002	0.4
53.24294	0.3
55.01907	0.4
59.01383	100.0
60.01715	1.1
61.98844	0.6
69.43391	1.9
69.43826	1.5
71.01385	5.7
73.02960	1.3
82.49836	0.3
83.01414	0.8
85.02956	3.4
89.02457	0.8
95.01414	0.6
99.00909	0.7
101.02441	2.6
113.02462	2.6
117.05468	0.4
119.03617	0.4
161.04633	2.2
202.09842	0.4
213.45424	0.4
291.04666	0.4
381.22934	0.7
399.24084	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57355	1.4
59.01383	100.0
61.71766	1.2
61.98845	2.0
71.48847	2.0
77.62503	1.1
80.18891	1.2
103.42154	1.2
111.41264	1.0
159.18777	1.2
199.23061	1.1
251.53021	1.1
266.41125	1.3
289.18085	3.6
307.19025	5.1
371.20279	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21492	1.1
59.01383	100.0
61.98832	2.6
69.03461	1.3
70.01173	2.2
70.01558	2.4
71.01380	24.7
72.99290	3.1
73.02950	24.9
74.41054	1.1
75.00889	1.6
83.01404	8.2
85.02950	4.1
88.98811	1.4
89.02451	5.3
92.10600	1.0
96.96020	2.2
98.19947	1.4
100.75044	1.1
101.02449	22.3
102.13491	1.2
107.81533	1.0
109.06561	2.0
113.02457	8.0
119.03500	1.8
121.96191	1.1
131.03467	1.7
142.03397	1.2
143.03474	1.5
155.03386	1.4
161.04526	2.7
164.39220	1.2
181.80289	1.0
196.53214	1.3
361.17807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.83275	0.4
57.03447	0.6
57.97556	0.5
58.00616	0.4
59.01381	100.0
60.01719	1.0
61.98832	0.7
69.03452	0.5
69.60049	1.3
69.60486	1.0
71.01385	22.1
72.01739	0.5
72.85074	0.4
72.99320	1.0
73.02950	25.7
74.03281	0.5
75.00895	0.4
81.03455	0.4
82.63446	0.4
83.01390	8.5
85.02953	3.1
87.00892	0.8
89.02459	3.6
95.01425	0.7
95.95235	0.5
96.96049	1.0
97.02974	0.6
98.20605	0.6
99.00916	1.0
101.02446	21.3
102.02816	0.5
103.72538	0.3
111.08209	0.3
113.02457	5.3
115.00434	0.8
119.03524	1.0
121.10240	1.3
125.02488	0.7
131.03535	1.2
133.01495	0.5
135.04527	0.4
143.03503	1.2
149.04594	1.4
155.03546	0.5
161.04549	4.5
161.05692	0.4
165.12984	0.4
175.14915	5.7
176.15253	0.6
195.06676	0.5
196.07062	0.6
197.00333	0.6
219.13902	9.0
219.16043	0.4
220.14371	0.7
221.06746	0.4
237.15100	1.5
271.11365	0.4
282.57779	0.4
283.06595	1.2
307.19153	0.5
325.12906	0.9
325.20261	0.5
351.17780	1.3
369.18704	3.3
370.19293	0.5
381.13870	0.8
399.20282	1.0
399.24567	0.6
441.21622	15.4
442.05075	0.4
442.22073	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	441.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59589	0.3
57.03460	0.3
59.01388	2.3
61.98837	0.6
63.08070	0.4
65.36162	0.3
69.37895	3.3
71.01386	3.4
72.99316	0.4
78.90259	0.4
80.11459	0.3
85.02991	0.4
89.02472	0.4
93.03467	2.0
96.96002	2.8
103.04040	1.3
115.00381	5.8
116.05077	0.8
117.03500	0.8
132.47768	0.3
133.01439	12.1
133.02968	0.9
134.03746	49.3
135.04008	2.5
137.02470	5.6
139.04008	2.1
145.02946	0.7
149.06084	13.1
150.03242	0.7
150.06412	0.4
155.00005	0.4
159.04524	2.2
160.01685	3.0
175.04005	3.4
178.02727	24.9
179.03116	1.2
187.07634	3.0
193.05061	100.0
194.05362	5.8
202.06342	1.0
213.09120	0.5
215.07175	0.5
231.10246	1.0
239.07268	0.7
253.08678	3.0
263.12979	0.7
264.10349	0.8
275.09305	1.4
279.08813	3.9
280.09024	0.4
281.08188	0.8
293.10141	0.4
307.11819	0.6
322.63190	0.4
325.07184	3.9
325.12952	1.1
326.07526	0.7
355.10327	5.9
356.10617	0.8
399.13394	1.1
441.14276	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61871	1.3
59.01385	100.0
60.01699	1.9
61.98835	1.7
69.03464	1.4
71.01391	34.5
71.60545	1.3
72.99325	2.1
73.02955	16.3
80.02680	1.4
83.01383	4.1
83.05035	4.4
84.02184	1.9
85.02944	2.4
89.02435	7.3
95.85319	1.0
96.96037	3.9
97.06611	1.4
101.02448	17.6
113.02442	7.1
115.00384	9.4
119.03539	1.9
121.29690	1.3
127.07695	2.4
133.01482	2.7
133.02783	1.0
133.49910	1.4
135.04501	1.3
143.03461	1.1
149.04524	1.1
161.04547	3.2
163.11316	3.2
165.12845	1.7
175.14905	2.4
181.80035	1.0
185.11824	2.9
197.11830	4.1
209.11838	58.5
210.12196	3.8
219.13937	5.1
227.12894	5.7
237.14803	1.0
238.12129	3.2
289.18173	3.4
302.20328	1.1
307.19174	28.2
308.19525	3.0
323.11206	1.2
325.11890	1.8
325.20197	34.5
326.20612	3.7
373.22556	1.3
381.19229	1.6
441.21216	9.1
442.21628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33636	0.3
55.01880	0.8
56.51735	0.3
57.03458	0.7
57.97558	0.7
59.01383	100.0
60.01712	1.1
60.42043	0.4
61.30325	0.4
61.98845	0.4
64.24906	0.3
68.41685	0.3
69.95472	1.3
71.01389	11.8
72.99325	0.6
73.02951	2.4
75.00883	0.4
77.40119	0.3
80.87538	0.4
81.03500	0.4
83.01388	1.8
85.02956	4.0
88.98814	0.4
89.02445	2.7
89.06099	0.7
95.01427	0.7
96.96031	1.1
99.00901	1.5
101.02448	7.0
108.66553	0.4
112.30129	0.4
113.02477	3.9
115.00391	0.8
117.11086	0.5
119.03524	1.0
121.02967	4.2
121.06626	0.4
143.03548	0.6
145.06204	0.8
159.03008	0.7
160.61391	0.3
161.04573	3.4
165.02017	0.5
184.97159	0.4
190.39200	0.4
190.63414	0.4
227.13072	0.4
233.10381	1.4
251.11382	11.3
252.11719	0.5
260.26956	0.4
289.18085	0.5
293.12457	9.5
294.12860	0.8
307.19196	0.7
325.20209	4.7
381.11911	3.3
382.12369	0.8
441.14008	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	441.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26523	0.5
57.56641	0.4
59.01383	21.0
61.98834	7.1
65.42640	0.5
71.01386	7.5
71.26817	0.5
71.61095	0.6
73.02955	2.5
79.95747	8.4
80.96526	2.7
83.01376	1.4
85.02934	2.7
87.00886	0.7
88.04045	0.8
89.02433	1.1
95.95242	1.3
96.96016	100.0
99.00892	0.7
101.02423	3.2
103.00380	7.7
110.66906	0.5
113.02482	1.4
115.00375	3.7
116.05135	0.6
116.92819	0.6
127.72324	0.6
128.03488	0.5
133.01430	4.2
135.04530	1.2
150.97044	0.7
152.98572	0.9
161.04553	0.7
164.98619	2.4
165.00014	1.1
177.04063	1.2
180.98145	2.2
183.04465	0.9
213.09210	1.8
215.07005	0.6
238.98479	1.0
241.00128	2.4
243.10307	0.5
245.11806	1.1
256.99744	6.6
257.08377	0.6
279.37582	0.5
299.00726	0.9
325.10602	0.7
325.20175	0.7
337.09500	1.4
355.10672	84.4
356.11066	7.5
360.69489	0.5
380.10284	0.5
397.11703	33.7
398.11981	3.4
403.95013	0.6
410.15302	0.6
423.09747	1.5
441.10626	19.7
442.11002	3.5
442.24380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
67.81369	0.4
71.01386	8.4
71.59859	0.7
83.97890	0.4
85.02937	1.0
85.10890	0.4
96.96017	0.7
99.92630	0.5
115.00372	9.6
115.83363	0.4
115.92074	0.6
116.00740	0.6
116.92831	0.5
119.05032	82.1
120.05375	3.7
128.32130	0.4
133.01439	2.7
133.02954	1.1
135.04543	0.9
163.04012	100.0
164.04350	5.0
177.01915	1.0
179.03485	1.4
183.60091	0.5
188.07100	0.9
197.09076	0.5
221.81863	0.5
325.09311	14.8
326.09546	1.4
441.10236	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97551	0.9
59.01387	9.3
61.98829	1.8
64.11264	0.5
70.90083	1.5
71.01386	30.0
71.83524	0.6
72.01717	0.7
73.02967	0.6
75.00887	0.8
85.02914	0.7
93.03455	5.5
96.96004	1.1
101.02470	0.8
113.02415	0.6
115.00381	31.3
116.05068	46.5
117.05409	1.7
119.05038	2.1
133.01448	5.1
146.06189	0.6
150.68571	0.5
203.62500	0.5
246.09378	0.7
247.09917	1.1
248.10805	100.0
249.11153	10.2
291.70233	0.5
292.09821	5.7
293.10165	0.6
324.12408	31.4
325.12671	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	440.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.9
61.98832	2.0
70.35556	1.7
71.01388	26.0
72.01723	1.1
74.02482	1.3
75.61793	0.4
93.03471	5.7
96.96045	1.1
109.55441	0.6
115.00383	26.2
116.00752	0.6
116.05072	42.1
117.05409	1.6
119.05017	2.0
119.65434	0.5
126.86703	0.4
132.06526	0.6
133.01440	3.7
134.03741	0.6
148.88635	0.5
157.63936	0.5
163.04073	0.6
187.47144	0.5
191.39539	0.5
195.75162	0.5
246.09106	0.6
247.09978	0.7
248.10808	100.0
249.11136	10.8
283.64960	0.6
292.09796	5.1
324.12408	30.8
325.12744	4.5
380.29300	1.3
441.20456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2442
Annotation	12-Acetyldehydrolucidusculine
Peak:m/z	Relative Intensity
57.38958	1.0
59.01366	2.1
61.29998	1.0
68.99826	25.9
69.47649	1.0
71.01372	2.0
78.95946	1.6
80.05068	1.7
83.00128	3.2
96.99326	12.5
98.20636	2.5
99.00886	4.6
106.81010	1.1
108.04567	1.2
108.58903	1.1
109.01696	13.5
110.02446	1.1
122.06110	1.2
137.01257	1.2
140.03549	1.5
149.04745	1.3
150.03226	1.3
190.05139	2.3
223.11856	1.2
229.15776	1.1
250.07271	7.8
352.22894	3.6
380.22385	11.0
419.98337	1.1
430.26953	1.2
440.24442	100.0
441.24692	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	440.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19897	0.5
60.10162	0.4
61.04096	0.4
64.79588	0.5
66.14989	0.5
69.90133	2.1
71.01385	13.3
72.99300	1.0
78.95889	0.7
85.90993	0.4
89.02443	0.5
93.03459	1.1
102.19550	0.5
115.00377	15.7
116.05045	1.4
116.07117	0.5
117.18690	0.5
119.05007	1.0
130.08684	1.8
130.15456	0.4
133.01436	23.7
134.03757	0.7
135.04539	0.5
137.02386	0.7
168.08151	1.0
187.07501	0.8
192.08138	0.8
193.04997	0.5
195.06737	0.5
196.07645	1.4
201.15724	0.6
203.03479	1.2
207.06828	1.1
214.45973	0.5
216.08180	2.1
218.06136	0.6
219.06807	0.5
222.05643	1.0
223.06351	6.1
224.07162	10.6
225.07504	0.5
232.07819	0.8
234.05603	1.9
234.09207	1.9
236.07115	0.5
237.09311	3.3
238.08658	0.6
244.07626	3.3
245.08243	1.2
247.06419	2.7
250.04977	0.9
250.08705	0.5
250.94514	0.5
252.06662	41.3
253.06955	3.6
260.07135	3.5
261.07858	3.2
262.08722	33.2
263.06604	0.7
263.09079	3.7
264.06564	1.8
265.07391	5.1
266.07712	0.5
278.08234	1.5
279.08749	0.5
280.09778	62.6
281.07928	2.9
281.10165	4.5
306.07553	2.2
307.05978	0.7
324.08759	100.0
325.05972	0.6
325.09219	10.3
326.20917	1.1
348.88397	0.5
393.79300	0.4
441.23505	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	439.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13170	4.0
59.01377	13.5
70.17712	5.6
70.18098	7.6
71.01382	22.6
75.00890	5.0
81.07173	4.2
85.02944	5.1
89.02431	5.6
98.19946	6.4
101.02456	4.6
111.24001	4.1
113.02460	6.3
118.82578	3.6
277.21741	100.0
278.22098	15.3
319.22766	12.6
331.22717	9.1
379.10641	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	440.099
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43069	2.1
70.43388	0.8
71.01385	12.3
73.09271	0.8
78.95892	1.3
84.49808	0.7
87.83791	0.7
89.02477	0.7
91.10329	0.7
94.65701	0.7
97.06596	0.8
114.05573	0.8
115.00380	15.8
116.05059	1.6
117.67323	0.7
130.08748	1.8
133.01436	22.6
138.03192	1.0
168.08235	2.0
193.05124	0.9
196.07707	2.2
205.72627	0.8
206.06087	1.1
216.08179	2.1
223.06429	5.4
224.07175	12.3
234.05661	2.3
234.09184	1.9
244.07666	3.1
245.08475	1.8
247.06320	3.0
250.05109	1.2
252.06673	39.3
253.06944	3.9
260.07135	4.5
261.07840	2.7
262.08740	35.9
262.11530	1.7
263.09128	3.3
265.07358	6.7
278.08353	1.5
279.08716	0.9
280.09790	65.2
281.10315	7.1
306.07690	2.3
324.08786	100.0
325.09164	12.7
326.20822	1.8
441.23648	1.0
451.46204	0.8
463.82596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00466	2.9
58.00624	3.1
59.01381	28.6
59.33849	2.6
62.42820	3.0
69.69700	11.0
69.70128	8.7
70.98548	2.6
71.01388	24.1
71.16373	2.5
73.02946	7.6
75.00884	5.6
78.84357	2.6
84.02214	2.5
85.02939	7.0
87.77287	2.7
89.02445	8.3
95.01373	4.9
97.69524	2.9
98.20584	6.3
99.74963	3.2
101.02448	9.8
104.14258	2.8
113.02449	17.5
120.19659	3.2
271.22714	4.6
273.22202	6.9
277.21729	100.0
278.22073	11.1
291.23227	22.4
319.22787	9.7
331.22897	13.1
349.23746	4.3
422.31680	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	439.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59943	0.4
51.74977	0.3
55.01881	1.0
57.03463	1.2
58.00595	0.3
59.01384	100.0
60.01722	1.2
61.98838	0.6
71.01386	16.9
72.01716	0.4
72.99323	0.9
73.02959	4.8
75.00909	0.4
78.95942	0.4
83.01392	1.9
83.05036	2.2
85.02955	7.2
85.03439	0.4
87.00887	0.8
89.02448	4.1
95.01416	1.1
96.96026	1.0
97.02949	0.6
98.95619	0.4
99.00891	1.7
101.02448	8.0
113.02457	5.4
114.94930	0.4
115.00414	0.5
119.03493	1.8
125.02410	0.3
126.42329	0.4
133.01469	1.1
143.03526	0.7
154.00240	0.4
159.03008	0.5
161.04558	3.4
225.20853	0.4
228.76364	0.4
235.17143	1.3
379.21466	1.5
394.55719	0.3
397.22293	9.7
398.22833	1.1
439.23782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26926	1.5
55.69686	1.4
58.00604	2.3
59.01385	30.7
61.98890	1.4
69.03443	1.7
69.99374	3.1
69.99763	3.7
71.01389	28.9
72.99283	2.1
73.02959	10.9
75.00902	4.5
83.01398	2.5
85.02963	11.7
89.02458	5.6
95.01408	4.0
96.30213	1.7
98.19906	1.8
101.02433	7.6
113.02447	16.9
119.03564	2.2
127.07699	1.6
139.07651	2.0
147.02943	1.6
169.86150	1.7
255.21173	2.1
263.16983	1.6
271.22760	2.6
273.22260	6.5
277.21738	100.0
278.22125	9.8
291.23291	31.4
292.23566	3.2
301.21753	4.3
319.22839	14.6
320.23209	1.7
331.22940	8.3
349.23785	5.1
389.38522	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73106	0.4
58.37029	0.5
59.01382	5.3
61.98516	0.9
61.98834	12.4
69.25125	0.5
69.50441	0.4
71.01389	7.6
71.15511	1.0
71.27841	0.5
72.99282	1.2
73.02945	0.5
73.14902	0.5
75.00916	0.6
78.95907	0.6
79.95752	0.8
81.03470	0.7
83.05042	2.8
85.02954	0.6
85.10225	0.5
87.00877	0.7
89.02439	0.6
91.43388	0.5
96.96014	7.0
97.06620	0.8
99.92590	26.4
100.92590	2.0
100.93304	1.1
107.04996	0.6
109.02919	0.5
115.00385	4.3
115.92080	22.8
116.05048	0.6
116.92864	100.0
117.92865	7.8
117.93624	0.7
121.03009	0.7
127.79333	0.5
133.01445	3.7
134.03728	1.2
135.04514	1.2
139.70914	0.6
143.95224	0.6
146.06172	0.6
149.02408	2.8
150.03212	0.9
151.04004	0.8
159.04466	0.7
163.04013	2.1
164.04781	1.4
169.93130	2.4
170.93860	2.8
179.10765	0.8
186.93469	0.7
193.01376	0.8
193.05112	2.1
193.58554	0.4
195.14925	0.8
198.93394	2.1
200.18304	0.6
202.06378	0.5
207.03009	2.2
208.03745	2.4
209.04538	1.2
211.13417	0.7
214.92903	4.5
224.17735	0.5
224.85431	0.5
226.09979	0.5
231.10265	1.1
235.97823	0.5
241.00249	0.7
241.09674	0.8
243.17101	0.8
256.11835	0.6
280.09683	0.9
305.01282	1.2
305.10281	1.6
312.26706	0.6
323.02182	1.4
323.11444	2.5
333.97891	1.0
347.99643	0.5
353.09103	3.7
395.10291	1.5
395.21753	1.0
421.31848	4.1
438.20435	0.7
438.29425	2.7
439.03375	5.9
439.08972	0.8
439.20642	2.5
439.33685	3.3
440.03616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81723	0.8
57.97531	1.3
59.01385	7.1
62.86860	0.8
70.17515	3.0
71.01385	25.0
77.52157	0.8
89.03935	1.0
96.96021	3.6
98.20515	1.6
102.92044	0.8
104.28342	0.9
113.75198	0.9
115.00372	24.0
116.05068	13.9
119.05024	2.9
123.30279	0.8
128.01784	1.9
133.02934	1.6
142.06595	2.3
145.02927	1.4
146.03749	1.6
147.04497	1.1
163.03975	2.4
194.08279	0.9
200.38536	0.8
212.69398	0.9
246.09183	5.7
261.04041	0.9
261.07910	1.1
262.08725	45.6
263.09482	55.1
264.09836	5.4
278.11865	17.1
279.12103	2.6
322.10867	100.0
323.11160	11.9
396.13589	1.0
438.15036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.7
59.01363	4.3
69.03461	4.7
71.01388	24.9
71.61068	1.6
75.00874	2.7
78.95904	2.3
83.01402	3.3
85.02957	4.7
95.01384	2.9
96.24050	1.4
97.02982	5.0
99.00851	4.0
111.00887	3.8
113.02470	2.1
129.01959	21.2
140.82878	1.4
141.01968	10.6
159.02950	5.5
177.04036	4.3
277.21744	100.0
278.22150	9.5
345.24496	2.5
419.24210	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	438.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97562	11.9
59.01388	7.5
61.98826	4.8
67.07289	1.3
70.26965	1.2
70.81612	2.7
71.01387	26.0
77.20730	1.0
78.95901	3.2
79.95753	1.9
85.02964	1.3
88.04102	1.1
93.03480	4.8
96.96043	2.9
107.57413	1.2
108.02167	1.6
109.02985	2.1
115.00383	41.4
116.00781	1.2
116.05079	11.8
117.03473	2.8
119.05035	20.3
123.04564	2.7
128.01784	16.8
128.97864	1.1
133.01476	2.9
134.03755	2.0
135.38586	1.3
142.06689	1.4
145.02962	6.8
145.06566	2.2
154.06650	1.6
163.04041	18.8
163.99367	3.4
165.00046	1.9
166.00575	1.1
173.06107	1.8
175.02449	1.4
176.01215	1.4
177.01897	1.8
178.02715	1.1
211.14909	1.4
217.05092	3.0
244.06090	2.4
246.09261	16.2
247.09700	1.8
248.07138	3.8
261.04077	9.2
261.07993	7.0
262.08716	51.8
263.09448	14.4
276.10272	11.4
278.09058	1.7
278.11905	11.2
279.12161	2.3
321.08051	1.7
322.10922	100.0
323.11258	12.7
323.18790	1.3
330.20697	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89322	1.1
71.01386	29.5
79.68145	1.2
83.79198	1.3
91.55036	1.1
96.96002	1.4
103.05547	1.4
115.00375	7.6
116.05065	100.0
116.51385	1.1
117.05389	4.4
121.06568	3.2
132.05817	9.1
133.05681	2.1
133.06609	34.5
134.06950	2.0
147.04523	1.7
158.60391	1.3
161.06026	1.3
164.04765	4.6
205.05063	43.0
206.05325	2.9
262.08673	4.3
263.09470	5.7
307.08322	3.2
322.10831	79.9
323.11136	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	437.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97543	1.1
59.01378	9.9
59.50658	0.8
60.94189	0.8
61.98832	17.7
70.13572	3.0
70.13998	1.3
71.01390	20.9
72.99316	2.8
73.02966	1.0
87.00898	1.3
89.02474	1.9
91.14788	0.8
96.96034	3.2
101.02438	2.0
114.93398	1.7
115.00384	40.5
117.73772	0.8
128.03572	1.1
133.01442	100.0
133.64565	1.1
134.01758	2.3
134.03677	1.1
135.04520	1.1
135.54784	0.8
145.06085	1.0
146.37248	0.8
160.01692	1.7
161.04544	1.0
169.10030	1.1
183.04549	13.3
184.04993	1.4
187.07616	0.9
196.05356	1.3
197.06134	2.4
213.09225	46.6
214.09595	3.2
215.10777	1.0
217.55205	0.8
237.06186	0.8
245.11777	2.1
257.08185	4.2
289.10846	36.7
290.11194	3.4
321.13449	16.6
322.13864	1.8
328.56421	0.9
340.08194	0.9
378.49057	0.9
395.97998	0.8
438.20673	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1878
Annotation	Aranochlor B
Peak:m/z	Relative Intensity
59.01381	9.7
61.98831	2.7
65.07143	0.6
70.84244	0.9
70.84581	1.5
71.01379	1.6
78.95925	0.8
79.95746	1.0
82.09846	0.6
85.02953	0.7
91.96690	0.7
96.96018	5.7
101.02390	0.9
113.02369	0.8
122.06166	1.8
129.15407	0.7
130.46741	0.7
135.29231	0.7
151.18477	0.7
168.06631	0.9
168.36612	0.7
196.06375	2.3
209.11818	0.7
210.08055	3.4
211.08777	9.3
212.09135	1.2
217.09851	3.4
223.12497	0.9
225.10336	11.6
227.11911	1.4
230.10745	1.0
237.06810	1.5
238.07556	5.6
239.08267	6.6
240.08820	1.2
241.13405	0.9
243.11375	2.8
253.09825	10.0
254.10196	1.1
267.11404	9.1
268.09247	1.5
268.12158	31.0
269.12881	12.3
300.07700	1.7
300.11157	34.6
301.11618	3.6
319.14401	1.3
320.14520	1.0
333.11325	0.8
348.13507	4.8
349.19009	1.8
359.16641	0.7
364.16656	3.2
370.74100	0.9
376.16687	3.7
392.19833	26.7
393.20346	4.1
418.17709	4.2
419.17822	1.3
436.18762	100.0
437.19049	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	435.252
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
53.50478	0.2
69.41508	0.2
69.41837	1.9
78.95908	53.8
96.96966	6.6
123.84571	0.3
135.80684	0.2
136.30165	0.2
150.98030	1.7
152.99597	100.0
153.99928	1.7
158.98042	0.2
168.08247	0.2
171.00641	4.3
197.82257	0.2
267.23355	0.7
281.24915	0.9
304.50171	0.3
398.76736	0.3
435.25217	7.5
436.25455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	13.3
58.99607	3.4
59.01354	1.6
63.01503	2.2
66.00315	1.5
66.03489	2.6
71.27699	1.9
72.00935	2.5
74.02480	27.9
81.04576	2.4
82.02986	3.5
84.53603	1.9
86.02489	12.3
87.05646	7.1
96.96030	6.0
97.04101	3.6
98.95605	2.1
99.05641	22.3
101.07202	3.3
102.05613	5.8
103.81947	1.7
109.04102	5.0
111.05656	2.8
112.03969	1.7
116.01819	1.8
125.03614	2.9
127.05150	5.9
128.03548	69.2
129.03812	2.3
133.01465	2.2
135.05638	5.2
141.06700	6.3
143.04630	89.3
144.05008	3.5
145.06271	3.9
146.04633	6.9
153.06728	5.5
160.00758	18.6
166.09865	4.7
167.04616	7.7
167.08272	5.3
175.12109	1.7
177.03377	5.5
179.04646	19.3
181.06210	2.0
182.41306	1.7
185.05609	4.1
192.07770	1.7
197.05737	3.1
210.08861	13.4
245.48218	1.6
250.67912	1.9
254.07851	24.5
272.08862	34.3
273.09296	1.9
288.06702	9.2
302.01834	2.0
306.07663	100.0
307.08051	8.0
332.09314	5.6
383.99765	1.6
436.13608	9.3
437.07281	1.9
437.13736	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95961	0.5
55.01890	0.6
55.27470	0.5
55.94678	0.5
57.97543	0.6
59.01383	8.8
61.98845	1.5
71.01392	6.6
71.60248	0.9
71.64095	0.5
73.02955	1.7
74.02479	0.9
76.37466	0.5
78.95906	5.1
83.01427	0.9
83.05036	0.6
85.02953	2.4
86.02531	0.5
87.00915	0.7
89.02451	2.4
95.95253	0.7
96.96021	10.5
96.96991	2.1
99.05681	0.6
101.02441	3.7
113.02473	1.9
115.00368	1.4
117.03418	0.5
119.03516	1.3
119.05048	0.7
121.28902	0.5
128.03566	1.8
131.33736	0.6
133.01450	1.7
133.02989	2.7
133.05093	0.6
134.03784	1.4
134.04724	0.6
136.55879	0.4
137.02496	0.8
137.09737	3.9
143.04681	1.9
145.03000	3.1
146.03256	0.5
150.04245	1.1
153.96042	0.5
155.10797	100.0
156.11124	4.8
158.03767	0.6
159.04642	0.6
161.04662	0.7
162.84570	0.6
163.03941	0.6
172.05264	0.6
173.06085	0.6
174.06871	0.8
177.01952	1.7
178.02710	2.9
181.08731	1.7
187.04045	1.0
199.09772	10.0
202.06317	1.0
235.08252	1.4
241.00125	0.6
253.09306	4.8
255.02989	1.0
255.10286	2.3
273.11526	0.8
281.11810	1.0
283.02542	1.3
285.04111	1.3
299.12756	2.8
300.02740	0.8
302.03311	1.5
303.03879	0.7
349.05923	2.4
349.44128	0.5
368.58508	2.1
369.09055	0.9
391.07010	0.9
391.17722	2.2
435.05414	1.7
435.18689	46.5
436.19022	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	435.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30160	0.7
58.02975	7.0
59.01372	1.5
64.62666	0.8
66.03475	1.5
70.03381	3.8
71.01374	0.8
72.00933	1.3
74.02483	17.5
81.04591	1.1
82.02985	1.4
86.02484	5.9
87.05630	4.6
90.00210	1.7
96.96001	8.2
97.04057	1.9
98.19956	1.3
99.05648	11.7
100.00488	1.0
101.07225	2.6
102.05614	1.2
107.06150	1.2
109.04086	1.6
111.05674	1.3
111.11590	0.9
112.04044	2.2
123.05776	1.0
124.04076	1.4
127.05112	2.6
128.03552	36.5
129.03928	2.0
135.05641	2.7
137.07249	1.3
141.06702	3.5
143.04631	50.6
144.04922	1.5
145.06183	2.5
146.04575	5.8
148.11942	0.9
153.06705	3.8
160.00772	12.8
166.09811	1.9
167.04622	4.2
167.08234	2.3
177.03416	5.7
179.04614	9.3
181.06151	1.6
185.05629	1.6
197.05656	1.5
198.08760	1.5
210.08875	8.7
210.78015	0.9
242.07774	1.5
254.07813	12.7
272.08890	21.7
288.06598	6.6
306.07681	100.0
307.07922	9.6
349.06146	7.1
391.06943	3.1
435.05981	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01384	9.8
61.98832	1.6
63.16313	0.5
66.74049	0.4
71.01387	6.4
71.60675	0.4
73.02952	1.8
79.32874	0.4
81.03469	0.4
81.15508	0.3
83.01408	0.9
83.05042	0.7
85.02965	2.0
87.00887	1.4
89.02456	4.9
95.51212	0.4
96.96013	2.7
98.02498	0.6
99.00885	0.3
101.02449	6.5
104.10323	0.4
105.54499	0.3
107.51136	0.4
113.02464	2.6
115.00353	0.4
115.92070	1.2
116.92868	4.1
119.03485	0.8
130.05067	1.2
133.01398	0.7
133.05072	0.7
137.09720	5.0
143.03606	0.6
155.10786	100.0
156.11116	5.5
161.04556	1.8
174.04053	0.6
181.08684	1.2
187.03917	0.4
199.09761	8.5
208.02882	2.2
208.71815	0.5
235.08264	1.2
253.09299	7.2
255.10136	0.6
290.36728	0.4
299.12662	0.8
349.06085	3.0
391.06943	1.1
391.17502	0.7
417.17770	0.8
435.18701	49.6
436.19061	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	435.042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85579	1.6
55.63116	1.6
57.97572	3.3
59.01370	3.9
61.98833	7.6
71.01382	26.1
71.55052	2.1
72.99297	3.9
73.02947	7.6
74.02425	1.6
74.99088	9.7
78.95913	1.6
79.95748	4.8
85.02954	2.1
95.95228	21.4
96.96017	41.4
97.95974	2.9
98.95601	5.2
99.00890	2.7
115.00373	17.0
117.01951	13.1
119.05032	5.9
128.03506	2.9
129.00452	13.9
129.93068	2.0
131.01999	10.5
133.01451	32.4
133.02985	4.3
134.03755	5.8
135.04552	21.0
136.98605	2.4
139.02495	3.2
141.04099	6.3
143.04562	2.1
144.98216	2.7
152.10083	1.7
154.99669	1.7
156.99942	41.0
158.00076	4.1
161.02464	4.0
163.03978	11.5
167.01884	1.7
172.97672	19.0
173.01035	2.2
175.02512	96.4
176.02682	12.3
179.03497	19.3
183.01480	6.6
185.03069	83.8
186.03224	8.9
189.01675	3.1
190.01213	1.9
198.99213	2.2
201.01881	14.4
211.00992	100.0
212.01170	12.8
212.98900	9.0
219.01501	84.1
220.01701	9.7
226.98711	16.3
229.03587	7.7
231.05145	17.0
232.05330	2.5
247.02890	4.4
255.00096	9.5
259.01318	2.4
273.02606	45.6
274.02921	6.3
275.04077	9.1
276.04355	2.1
301.02084	2.4
312.97711	1.9
317.01627	20.8
318.02039	2.5
319.03180	80.7
320.03400	14.4
324.97083	2.0
335.02823	2.4
347.39886	2.1
352.96210	4.3
408.98956	3.5
434.96881	18.5
435.02960	13.6
435.97144	3.7
436.02582	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	435.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	0.8
59.01383	12.3
61.30084	0.5
64.85545	0.5
69.65125	1.4
69.65533	2.2
71.01366	2.8
75.43493	0.6
79.95749	6.3
80.96534	3.0
85.02937	1.5
95.83701	0.5
95.95255	0.6
96.96017	100.0
101.02437	2.3
101.07430	0.5
102.94227	0.6
103.00381	8.4
108.61044	0.6
122.97587	0.6
128.66649	0.6
150.97163	0.7
152.98654	0.9
164.98619	3.1
180.98123	2.7
241.00246	4.5
257.57358	0.6
331.04944	1.5
349.05994	95.8
350.06378	8.8
391.07068	42.2
392.07358	4.7
417.04944	1.6
435.06033	20.5
436.06171	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90929	0.4
59.01384	4.2
61.98833	100.0
66.38311	0.4
71.01384	1.3
71.60118	0.6
73.02940	0.5
88.46549	0.4
95.95258	0.8
96.96014	3.3
101.02398	0.4
105.03446	0.9
107.05111	0.4
109.68639	0.4
115.00414	0.7
116.66904	0.4
121.02992	0.8
133.02969	8.7
134.03761	4.2
135.04538	0.8
137.02470	2.3
139.03970	0.7
148.89151	0.4
177.01959	7.4
178.02731	7.3
199.09799	0.8
434.02448	0.6
435.16241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34024	0.6
57.97556	0.7
59.01377	7.7
61.01805	1.5
61.98834	100.0
69.45010	1.7
69.45414	3.3
69.46483	0.5
71.01394	2.0
71.67204	0.6
73.75978	0.6
76.95603	0.6
85.02961	0.8
95.95219	1.0
96.96017	2.2
101.02489	0.7
128.03633	0.8
133.01443	1.2
133.02995	2.9
134.03723	1.5
140.00340	0.6
143.04684	1.6
143.13196	0.8
163.04004	0.7
177.01979	3.0
178.02771	3.6
202.07478	0.8
252.70645	0.7
271.13440	2.4
273.12561	1.1
304.77310	0.7
309.24243	0.6
374.12448	0.7
374.21747	1.0
380.85449	0.7
435.16904	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.236
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
64.97749	0.2
70.40073	0.7
70.40420	0.2
75.46613	0.2
78.95906	70.8
91.88919	0.2
96.96962	5.4
150.98015	2.0
152.99593	100.0
153.99942	1.8
171.00636	2.7
279.23251	1.9
280.23190	0.3
413.60730	0.2
433.23584	11.6
434.23837	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	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.01810	1.3
61.98833	18.5
63.44835	0.9
71.01384	8.7
71.59842	1.1
72.99309	1.4
73.02947	1.7
73.28233	1.0
83.01363	1.0
84.08755	1.2
85.02957	2.6
87.00847	2.7
89.02453	2.6
91.04002	3.3
96.96008	3.8
101.02459	5.4
105.01945	5.5
112.54861	1.0
113.02423	2.7
115.00365	2.6
119.03500	1.4
128.03543	1.7
133.01418	1.8
138.55585	1.1
143.75218	1.1
155.10785	1.1
161.04494	1.5
165.01894	1.2
171.10280	2.0
183.10316	2.0
197.11818	3.4
201.11331	8.6
201.15739	1.0
214.06268	1.1
225.42192	1.2
227.03432	1.4
257.03595	1.1
257.17526	2.3
263.16565	1.3
281.17490	1.6
285.03802	2.0
286.03888	3.0
287.04410	3.3
299.18607	10.5
345.22812	13.4
346.22781	1.6
356.69604	1.0
373.22308	1.5
379.71341	1.1
391.23489	1.1
433.10495	3.5
433.24664	10.6
434.24747	2.1
436.45584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.4
61.98833	15.1
70.91684	3.3
70.92015	3.3
71.01374	15.0
72.99332	3.4
75.00871	4.7
78.95867	2.7
80.91684	7.7
83.01382	6.1
84.92518	2.5
85.02960	3.1
87.00880	4.7
96.96017	7.1
99.00877	9.2
111.00884	15.3
113.02425	3.4
115.00356	30.8
116.05064	100.0
117.05406	4.8
119.61604	2.6
129.01968	5.3
135.08214	3.9
142.06631	9.0
145.14095	2.3
156.00610	4.1
157.01370	6.6
168.04564	6.1
170.06166	3.8
197.08067	3.4
214.60739	2.6
245.10815	11.3
246.11070	2.7
251.03510	2.3
255.09270	3.0
256.09995	4.2
257.10806	11.2
259.12448	8.9
270.08035	3.3
271.12381	9.0
272.12830	2.6
285.10355	24.7
286.10733	3.4
287.11917	6.7
303.11414	4.4
315.11401	10.9
333.12469	6.5
373.11816	12.6
390.17847	2.8
433.24069	5.9
434.16757	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	433.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36751	1.5
51.39783	1.5
55.01860	2.7
56.00753	1.4
57.97560	4.6
59.01384	11.4
69.03475	1.9
69.57273	12.1
69.91271	1.7
70.52229	1.7
71.01386	5.9
83.01394	16.2
87.00876	2.8
96.96009	2.8
98.20589	3.7
99.00865	4.3
113.02485	4.2
113.99594	8.7
115.00381	44.2
116.05068	100.0
117.05415	4.0
127.00351	4.1
128.01787	10.5
128.03584	2.2
132.02173	2.4
142.06604	5.3
158.06097	2.6
160.01649	7.1
160.04007	1.8
168.04555	5.1
175.02510	3.1
175.03995	18.9
182.06134	2.5
187.26929	1.7
188.07088	2.1
200.07172	4.6
215.11325	1.7
242.08318	2.1
244.06129	5.1
245.10889	15.0
251.29597	1.7
256.09808	2.2
271.12338	2.0
286.79910	1.7
287.11942	1.9
304.06528	7.8
316.06418	2.6
318.43564	1.7
333.12332	2.2
334.20630	2.0
373.11954	62.0
374.12247	9.3
386.60202	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1143
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
51.82768	0.4
55.80344	0.4
57.03460	0.4
57.99849	0.4
59.01382	8.3
60.01745	0.4
61.98836	2.3
63.02409	3.6
65.00326	10.4
68.99794	0.4
71.01385	2.1
71.60063	0.6
73.02952	0.4
81.03461	0.5
83.01398	7.9
85.02977	0.8
89.02461	1.0
93.03465	5.1
95.95242	1.2
96.96015	5.3
101.02442	1.2
107.01398	17.7
108.01659	0.5
109.02982	0.6
113.02396	0.5
115.00375	0.6
117.03482	1.4
119.05033	36.3
120.05395	1.4
121.02972	0.9
125.02465	4.3
128.03528	1.1
133.01418	0.4
133.03043	0.5
135.04507	1.1
137.02495	0.6
143.04919	1.7
145.02963	4.7
151.00378	65.9
152.00658	2.4
161.04701	0.4
161.06068	1.6
165.01944	6.0
169.01439	4.0
177.01932	5.6
178.10548	0.4
185.06068	3.1
187.04025	3.9
193.01396	0.6
193.05017	0.4
194.51180	0.4
197.11858	1.4
199.07607	0.6
209.05997	0.4
216.49330	0.4
221.12552	0.4
227.07097	3.5
253.04967	0.8
269.04623	0.7
271.06122	100.0
272.06458	9.2
286.03625	0.7
287.05542	0.9
295.06143	0.4
299.18619	1.0
300.02740	0.8
313.05621	4.0
314.06183	0.6
317.19705	0.5
345.22842	0.6
361.77435	0.4
389.15845	0.5
433.02390	0.5
433.11426	10.4
433.24292	0.9
434.11575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71061	0.5
57.97560	5.2
58.02986	0.8
59.01382	10.1
60.01706	1.0
61.98835	100.0
69.67120	2.6
71.01379	2.8
74.02482	2.0
85.02971	1.3
86.02487	2.0
89.02457	1.9
89.91699	0.5
96.96024	1.1
99.05669	2.4
101.02457	1.9
103.20007	0.6
105.39603	0.5
115.00352	0.6
125.03625	0.6
128.03552	7.0
131.99461	0.7
135.05647	0.5
143.04646	10.7
146.04576	0.9
161.04625	0.7
167.04742	0.7
174.01692	0.6
179.04663	2.0
210.08899	2.2
239.86931	0.6
241.47282	0.5
254.07814	4.2
271.02710	0.6
272.08884	7.2
280.02429	0.6
286.04553	1.3
300.02863	1.7
306.07751	1.7
405.09418	0.8
419.65381	0.7
432.10056	0.8
433.08206	1.8
433.24460	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97559	2.2
58.02985	0.4
59.01382	9.2
61.98834	100.0
64.47523	0.4
70.59522	0.4
71.01399	2.2
71.60173	0.8
71.60556	0.6
73.02950	2.1
74.02480	1.6
83.01412	0.6
86.02489	0.5
89.02471	1.0
99.05678	0.9
101.02466	1.9
104.42498	0.4
107.01431	0.5
109.02943	0.4
109.55717	0.4
113.02461	0.6
114.05627	0.7
115.00428	0.5
119.04979	0.4
121.02989	0.5
123.05737	0.4
128.03551	3.3
143.04617	4.6
146.04604	0.5
167.04700	0.5
179.04645	1.2
190.29819	0.4
192.99652	0.6
210.08907	1.4
227.03525	0.8
228.03784	0.9
228.51480	0.5
243.02965	0.8
254.07913	1.7
255.03030	1.6
256.03543	1.1
271.02414	2.8
272.08890	4.1
284.03430	0.7
285.03653	1.7
286.04529	1.3
300.02789	3.8
301.03561	1.9
306.07770	0.5
341.19550	0.5
361.16602	1.8
432.10382	2.0
433.07977	3.1
433.24704	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97622	0.7
51.62373	0.7
56.56704	0.7
57.03467	0.8
59.01384	87.3
60.01707	0.9
61.01804	1.0
61.85174	0.7
61.98834	100.0
70.34732	0.9
70.35087	2.7
71.01389	7.1
73.02959	1.7
80.84589	0.8
83.01402	2.2
85.02943	3.6
87.00837	0.8
89.02439	2.6
91.04014	0.9
96.96008	1.3
101.02450	4.6
107.01385	0.9
113.02446	3.2
119.03496	1.4
125.02427	0.8
132.74220	0.8
133.01442	0.9
135.04562	1.0
135.22841	0.8
161.04578	2.1
165.01974	1.1
166.95152	0.8
167.05115	0.7
183.10150	1.0
187.72278	0.7
190.05853	0.8
196.10632	1.3
197.11763	1.2
201.11353	2.7
212.04318	1.3
227.03516	11.6
228.03813	15.1
229.04889	2.3
230.05357	3.0
242.11751	0.9
255.03000	11.7
256.03336	24.1
257.04111	3.1
258.04855	2.4
284.03253	10.2
285.03824	31.5
286.04376	40.0
287.04550	2.7
299.18646	3.2
345.22809	3.4
373.22290	2.2
391.23398	1.9
406.29312	0.8
432.04703	1.5
432.10187	25.7
433.10403	3.1
433.20645	3.0
458.66470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55586	0.3
53.69823	0.2
54.39146	0.2
57.03459	0.5
58.25811	0.2
59.01385	100.0
60.01732	1.4
61.98834	2.3
69.42760	1.7
71.01389	6.1
72.99324	0.4
73.02956	1.9
75.00867	0.3
81.03459	0.3
83.01411	0.9
83.05045	0.3
85.02968	2.0
87.00883	0.5
89.02457	3.3
95.01387	0.4
96.96036	0.4
99.00911	0.8
101.02440	3.3
101.02972	0.3
112.98856	0.3
113.02458	2.6
115.00400	0.6
119.03547	1.1
134.86314	0.3
142.99860	0.4
145.06319	0.3
155.10840	0.6
158.27032	0.3
159.02992	0.4
161.04605	3.0
165.18620	0.3
174.01732	1.2
179.05699	0.7
192.28648	0.3
199.09779	0.5
209.11900	0.4
227.03525	2.8
255.03008	3.2
256.03513	0.5
269.04596	0.3
284.03293	2.2
285.04077	3.9
285.07629	0.6
286.04294	0.5
295.19339	0.5
315.18332	0.8
339.18335	0.4
344.24008	0.3
371.21210	0.4
431.09943	4.0
431.22992	0.8
432.10648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.9
61.98834	100.0
67.95959	0.5
69.88976	2.8
71.01392	3.2
73.02947	4.8
83.01389	1.5
85.02956	0.7
89.02442	1.6
90.66295	0.5
98.19939	0.6
98.41069	0.5
101.02446	4.5
109.02966	0.9
113.02477	1.2
121.02988	1.9
122.03764	1.4
124.80272	0.5
131.84404	0.6
143.03593	0.5
147.04526	1.5
149.04564	0.7
161.04691	1.2
161.06067	1.3
162.06842	1.4
165.05617	1.0
189.71275	0.7
204.07495	0.6
228.03902	0.8
285.03925	0.6
286.04526	0.6
295.34906	0.6
297.11462	0.6
298.12170	1.3
311.13104	1.2
313.14661	2.0
341.20053	0.7
343.15570	0.8
361.16541	8.7
432.10126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.09774	0.2
59.01363	0.5
65.68658	0.2
70.17068	0.5
70.17465	0.5
76.38010	0.2
78.95907	71.3
96.96966	5.4
103.57734	0.2
127.44167	0.2
150.98051	1.6
152.99591	100.0
153.99928	1.7
155.59802	0.2
171.00661	2.4
174.33234	0.2
277.21637	1.1
302.72656	0.2
410.34018	0.3
431.22028	10.5
432.22412	1.5
458.29993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41895	0.4
57.03453	0.8
59.01382	100.0
60.01720	1.3
61.98838	2.0
69.03466	0.6
70.16127	1.1
71.01386	8.1
73.02954	1.5
75.18887	0.4
79.95744	1.5
81.42669	0.4
83.01409	0.6
85.02958	2.2
87.00878	0.7
89.02466	2.7
92.82877	0.4
95.01408	0.7
96.96001	2.9
97.02959	0.4
99.00916	1.1
101.02444	4.1
113.02480	3.4
119.03561	0.5
135.04572	0.5
159.02963	0.5
161.04575	5.1
171.10220	0.5
176.46300	0.4
177.09244	0.8
179.05724	0.6
195.10283	5.5
227.03535	4.1
229.05254	0.7
253.09380	0.8
255.02962	5.3
256.03534	0.8
257.04535	0.5
284.03250	5.5
285.04065	9.7
286.04523	0.6
315.18210	1.9
371.21057	0.5
431.09277	5.3
431.14999	0.8
431.23291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0984
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
51.47524	0.4
59.01381	6.0
63.02402	10.6
65.00320	6.4
69.89662	1.8
77.37453	0.4
83.01389	9.5
85.71918	0.4
91.04007	1.0
93.03471	0.5
95.01388	1.5
104.16130	0.4
107.01395	21.0
120.31215	0.4
123.00895	1.0
123.04528	1.0
132.02182	2.3
132.39586	0.5
133.01389	0.5
133.02965	0.9
137.02493	0.8
143.05057	1.2
145.03020	0.6
146.47707	0.4
147.04485	0.9
149.99600	1.4
151.00375	56.4
152.00760	1.6
152.56815	0.4
163.00372	2.8
164.01160	4.4
169.01419	6.9
170.03761	0.4
171.04420	0.7
176.74086	0.4
185.06099	5.6
192.00635	0.6
195.04498	0.6
196.00111	0.6
199.04063	0.8
200.04605	0.6
212.04761	0.6
213.05591	5.6
227.03546	1.4
229.05083	5.0
230.05582	0.5
240.04254	1.3
241.05045	3.2
255.03026	1.6
256.03506	0.6
257.04556	25.7
258.04877	2.3
283.02518	0.7
284.00842	0.8
284.03256	41.7
285.04028	59.9
286.04395	5.1
297.17145	1.1
398.35138	0.5
431.09818	100.0
432.10193	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	431.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84246	1.1
57.97547	2.6
59.01373	3.4
60.59626	1.1
61.98832	100.0
66.00190	1.1
68.39153	1.0
69.88887	5.2
70.71569	1.0
71.01370	1.1
78.95912	2.5
83.28697	0.9
88.49409	1.0
88.98809	6.4
89.02518	1.2
128.53511	1.1
140.06398	1.2
152.99603	1.6
179.73215	1.1
192.95065	1.0
205.12347	1.2
223.11913	1.0
306.71970	1.1
357.20496	1.2
431.14554	1.2
431.24194	5.0
432.25092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91340	1.2
59.01383	100.0
69.34440	10.4
91.04014	2.3
110.84964	0.9
123.55923	1.0
156.22771	1.0
160.21344	1.2
163.63460	1.0
231.13959	1.4
295.22845	12.5
429.23065	6.8
430.22571	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	430.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61914	0.3
55.45398	0.3
59.01375	1.4
59.19314	0.2
69.83013	1.5
71.01382	0.3
79.95750	0.8
92.70489	0.2
95.03778	0.5
95.95235	5.7
96.08192	0.3
96.96018	9.0
116.05070	100.0
117.04682	0.4
117.05415	4.2
118.06636	0.9
118.40587	0.3
122.06122	2.6
124.07692	1.0
128.93234	0.6
132.04587	0.5
133.05339	0.3
139.17740	0.3
144.04579	0.4
146.06126	6.6
147.03305	0.4
147.06470	0.3
157.88519	0.2
160.04065	0.5
165.04271	0.3
191.93892	0.3
226.12390	4.8
227.12004	0.6
233.10934	1.9
239.08269	0.3
240.09019	1.0
241.09767	0.5
251.11717	0.3
253.09868	0.4
254.10576	0.8
257.12927	0.5
261.10306	4.2
262.10800	0.9
269.12958	16.7
270.13181	1.7
294.07199	0.3
294.10043	1.7
295.10712	0.9
301.12088	0.7
313.12067	1.1
386.18744	13.2
387.19052	2.4
403.81073	0.3
412.16699	0.6
430.17712	30.0
431.18015	5.3
431.23483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0984
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
51.79686	0.4
57.03465	0.4
59.01381	3.9
63.02419	0.4
69.10813	0.4
69.91233	0.9
69.91631	0.7
73.02932	0.4
74.02497	0.4
75.07887	0.4
78.95901	0.7
83.01385	1.2
85.02972	0.5
87.49720	0.4
93.03482	1.4
96.95998	0.5
99.00862	0.5
101.02416	0.5
107.01418	1.3
109.02963	1.2
112.98838	0.6
113.02491	0.6
114.05575	0.4
115.00378	1.2
117.03451	0.7
121.02978	0.6
125.02501	0.8
126.90465	0.7
133.01427	0.4
135.00880	1.1
142.99872	0.4
143.05019	1.0
145.02954	0.5
151.00374	2.8
153.01933	0.6
154.04282	0.8
155.05003	0.6
157.06635	0.4
159.04500	1.2
161.02431	0.5
163.00401	1.7
165.01935	0.8
167.04907	0.7
168.05751	0.5
169.06569	1.7
171.04549	0.8
173.00960	0.7
173.02446	0.6
174.01721	2.6
178.99818	0.5
183.04585	2.3
184.05190	0.3
185.06117	2.7
187.03978	2.5
189.05533	1.0
195.04527	0.7
196.05202	0.5
197.06119	0.8
199.04080	0.8
201.05609	0.4
209.11829	0.7
211.03952	2.7
212.04688	0.5
213.05540	2.3
214.02791	0.9
215.03520	0.9
223.80164	0.4
227.03510	82.7
228.03891	6.5
229.05043	5.7
230.05341	0.6
239.03540	2.1
241.05067	1.5
242.11852	0.5
243.03003	0.7
255.02992	97.9
256.03513	15.9
257.04510	3.3
258.04990	0.5
269.04410	0.5
283.02429	1.5
284.03253	78.7
285.04028	94.0
286.04404	8.5
297.04221	0.5
299.05841	0.4
315.18048	2.2
327.05069	1.1
328.05145	0.4
332.90051	0.5
355.59189	0.4
431.09818	100.0
432.10150	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	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68786	0.6
55.01892	0.6
57.03454	1.6
59.01385	100.0
60.01721	0.7
69.59582	3.2
71.01389	17.0
73.02964	3.8
83.01400	1.7
84.84679	0.5
85.02957	6.4
89.02425	0.5
94.99287	0.5
95.01417	1.2
96.96008	2.8
97.03004	0.6
98.20602	0.9
99.00907	2.1
101.02454	9.0
107.79747	0.5
113.02447	6.6
137.70264	0.5
143.03557	1.4
159.03065	1.8
161.04575	13.4
161.05850	0.8
162.04849	0.6
177.35349	0.5
207.13921	4.2
231.46439	0.6
343.10907	1.9
385.11548	0.9
389.32465	0.5
429.11072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	68.3
61.87389	8.2
61.98827	42.6
69.43177	47.9
69.43581	19.5
71.01384	43.7
73.09811	7.4
74.10682	10.0
78.54104	7.5
82.56825	8.0
89.02430	41.2
90.97975	7.7
92.48551	10.0
92.57565	7.8
98.20631	16.6
101.02453	14.7
110.65472	9.2
113.02445	12.7
119.03548	10.7
129.00761	8.9
155.40509	8.3
161.04443	12.1
179.05629	10.9
249.18587	100.0
295.20004	10.4
341.62814	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	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60746	4.6
59.01381	100.0
61.98831	7.8
62.84969	4.0
63.16464	4.6
68.98350	4.7
70.40118	8.0
84.47218	4.0
121.29481	4.8
379.81390	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	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
55.99327	0.3
57.03458	1.3
58.00587	0.5
59.01382	100.0
60.01720	1.3
61.98840	0.8
69.03455	0.6
69.52155	1.9
70.02970	0.6
71.01386	16.4
71.05003	0.4
72.99318	1.1
73.02950	5.0
74.02506	0.4
75.00883	1.2
78.95927	1.0
81.03523	0.3
83.01382	2.0
85.02958	6.2
87.00885	0.9
89.02450	3.5
95.01417	1.2
96.96021	2.3
97.02950	0.5
98.20634	0.6
99.00888	1.8
101.02449	8.4
113.02452	5.7
114.02022	1.1
115.00399	1.0
119.03541	1.2
121.02944	0.4
125.02411	0.5
128.03624	0.4
131.04686	0.4
134.03793	0.5
135.04567	0.5
137.06076	0.4
137.18906	0.4
139.11345	1.1
143.03535	1.2
151.07697	0.4
151.11328	0.7
152.99625	0.9
153.09271	0.4
159.03032	0.9
161.04588	5.6
161.09773	0.5
163.11325	2.4
169.08821	0.5
175.11241	0.3
179.05669	0.8
179.10803	1.0
181.12344	1.7
183.10207	0.5
187.11298	0.5
189.12927	1.5
196.57030	0.4
197.27780	0.4
199.06558	0.3
201.11389	1.5
203.05646	0.6
203.33421	0.4
207.13930	4.2
223.13525	1.5
225.14963	5.3
227.03548	0.8
249.06113	0.4
249.11382	0.7
255.03011	2.9
267.07434	0.5
267.12482	1.0
283.02490	1.9
284.03317	0.7
285.04141	1.1
313.16849	0.5
325.16763	0.5
369.10556	0.5
369.19159	0.7
387.20367	2.1
429.08725	0.7
429.15482	1.0
430.09244	0.9
430.25879	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03449	0.8
59.01384	100.0
59.14691	0.3
60.01716	1.3
67.80783	0.4
69.03484	0.4
70.10357	0.9
70.10763	0.9
71.01385	11.9
73.02956	4.5
75.00883	0.4
76.63419	0.4
80.91975	0.3
82.65643	0.3
83.01412	1.8
83.05064	0.3
85.02959	5.3
87.00892	1.1
89.02450	3.4
95.01411	0.5
96.96039	1.7
98.19962	0.7
99.00896	1.6
101.02446	8.6
101.03082	0.5
101.05370	0.4
102.61732	0.3
113.02457	4.1
119.03548	1.6
125.02543	0.4
134.77892	0.4
135.04565	0.4
159.03021	0.5
161.04572	4.8
168.53407	0.3
179.05684	0.4
181.12425	0.6
205.12430	0.5
207.13976	1.1
211.17479	0.3
211.86584	0.4
225.15067	1.0
248.90565	0.4
255.03166	1.1
272.10788	0.4
283.02637	1.3
320.02127	0.4
358.20401	0.4
369.19321	1.0
387.20236	8.7
388.20807	1.1
429.21695	0.6
430.08984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77096	1.0
55.60827	1.0
58.53858	1.0
59.01383	100.0
60.01707	1.0
61.98840	2.3
68.90104	1.0
69.52271	7.1
71.01389	19.1
73.02948	1.7
85.02946	2.9
85.39652	1.0
87.00900	1.1
89.02451	23.0
96.96027	1.3
98.15501	1.0
98.19910	2.1
101.02454	8.1
113.02465	8.0
119.03505	8.1
143.03514	2.0
143.44479	1.0
161.04532	2.5
174.10825	0.9
179.05658	5.9
205.19707	1.0
223.13393	1.0
223.94226	0.9
239.48851	1.0
262.29086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15352	0.3
57.03446	0.4
59.01383	65.9
60.01722	0.9
63.02396	0.4
63.29376	0.3
65.00357	0.9
66.90202	0.3
71.01389	2.7
71.36823	0.6
73.02952	1.1
79.82323	0.3
81.28053	0.3
83.01398	0.4
85.02971	0.6
93.03496	0.7
96.96039	1.0
98.95624	0.4
101.02456	1.2
107.01408	1.1
113.02441	1.0
117.03459	3.1
135.00937	0.4
137.09729	0.9
141.03427	0.4
151.00392	1.3
155.05043	1.1
159.04498	1.7
160.83430	0.3
161.04573	0.9
167.04988	0.4
171.04564	0.7
182.03767	1.3
183.04518	7.5
185.02408	0.7
187.03987	0.4
189.12944	1.8
197.02507	0.5
199.04030	0.9
203.05626	1.1
207.13921	1.0
210.03264	0.5
211.04037	4.2
225.14984	0.9
226.02972	0.4
227.03500	3.3
255.02989	50.1
282.01886	0.4
283.02481	100.0
343.09079	0.9
385.10196	0.4
429.08759	0.7
429.14175	0.5
430.09024	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01709	1.5
65.50830	0.8
70.00598	3.9
71.01381	9.9
73.02949	0.9
85.02955	1.7
89.02444	15.8
94.45866	0.8
95.01360	1.0
98.19908	1.2
101.02439	5.5
113.02448	5.8
119.03503	5.5
137.09720	2.5
143.03519	1.6
161.04611	2.5
179.05609	3.5
190.28966	0.8
239.42816	0.9
288.58289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15956	0.5
54.53553	0.5
58.00615	0.8
59.01382	100.0
60.01720	1.2
61.90471	0.4
70.00450	1.2
70.00856	1.6
71.01388	13.5
71.01768	0.9
72.99334	0.9
79.58404	0.6
79.95779	0.5
85.02968	1.3
87.00881	1.0
89.02451	22.1
96.96013	2.4
98.95623	2.3
101.02438	7.0
113.02441	5.7
119.03521	7.3
131.03552	0.7
143.03535	1.9
161.04633	1.4
171.45551	0.6
179.05605	3.8
313.16571	0.7
343.09216	3.1
344.09866	0.7
385.10345	2.0
429.09238	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01728	2.0
62.37331	1.5
70.74169	1.8
70.74512	3.3
115.07690	2.2
136.01683	1.7
229.18613	1.7
287.43274	1.5
293.21265	2.7
305.21112	5.8
349.23752	4.4
427.24649	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	429.1074
Annotation	Bispyribac
Peak:m/z	Relative Intensity
59.01388	16.2
59.44750	0.5
64.05025	0.4
71.01382	1.6
71.37268	1.0
79.26752	0.5
79.95741	4.6
80.96521	2.5
83.01407	0.6
85.02966	1.0
96.96017	99.5
101.02448	1.9
103.00377	9.0
113.02490	0.7
125.02445	0.7
138.97121	0.6
144.31699	0.5
152.98643	1.0
164.98639	1.9
175.53755	0.5
180.98122	1.9
200.89981	0.5
229.72433	0.5
235.88181	0.5
241.00250	2.7
255.03059	0.8
325.09641	1.7
336.34760	0.5
343.10687	100.0
344.10986	10.6
356.84909	0.5
385.11737	34.8
386.11951	2.9
411.09784	1.7
429.10764	21.1
430.11169	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	429.195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12596	0.1
65.08329	0.1
69.39177	1.3
80.79294	0.2
91.05319	0.1
99.92583	5.2
100.92693	0.2
100.93365	5.8
101.93402	0.3
115.92085	100.0
116.92092	6.1
116.92873	6.2
117.92787	0.3
132.92348	1.2
142.94463	0.4
172.95480	4.5
173.95534	0.4
255.23189	0.8
266.60318	0.1
301.67438	0.2
355.15784	0.6
371.15616	0.3
381.17383	0.8
411.18344	0.2
418.70245	0.2
429.19513	4.0
430.19595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01728	1.3
61.98841	1.1
65.61345	0.7
69.36156	6.8
91.04020	3.4
97.52372	0.8
110.62000	0.8
116.22954	0.7
137.11000	0.9
196.85066	1.0
223.34300	0.7
269.59555	0.8
275.20297	1.2
293.21225	10.1
294.21637	1.5
314.51773	0.8
318.38254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01706	1.1
61.98824	0.9
69.35062	3.2
69.35489	4.1
93.17664	0.8
98.20578	1.4
114.45891	0.8
117.54636	0.7
126.51413	0.8
283.56262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98849	0.9
66.80061	0.7
69.40372	5.8
75.81631	0.8
76.06024	0.7
96.14102	0.7
110.84799	0.7
122.69962	0.7
128.84659	0.7
138.61450	0.8
150.57535	0.8
195.23593	0.7
203.09218	0.8
206.12752	0.7
293.21368	3.0
304.67770	0.8
439.07538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62984	1.2
55.27938	1.2
58.95457	1.2
59.01382	100.0
59.34922	1.2
60.01690	2.0
61.98819	1.7
96.95999	1.5
141.71654	1.3
164.52275	1.4
213.31546	1.3
220.90417	1.3
235.17047	3.5
248.17096	1.2
250.60135	1.5
275.20169	5.5
276.20966	1.3
293.21283	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01724	1.1
61.98839	0.9
70.62605	2.1
91.04053	1.8
98.19946	0.8
109.23146	0.6
119.40846	0.7
119.63943	0.7
123.95834	0.6
152.62131	0.6
275.20264	2.5
293.21259	8.9
294.21689	1.3
368.20303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	37.0
61.98835	50.8
69.35514	12.8
70.28061	1.2
71.01387	11.8
73.02957	1.3
79.95741	1.8
81.28819	1.2
85.02934	2.9
89.02457	5.0
96.96014	12.2
96.96957	1.8
97.06577	1.4
99.92594	57.3
100.92621	4.0
100.93393	3.7
101.02456	4.8
113.02431	2.3
115.00408	2.4
115.92088	81.5
116.05085	3.2
116.92128	6.6
116.92867	100.0
117.92879	6.4
123.08141	1.4
133.02956	2.6
134.03764	1.5
135.04514	1.5
152.74637	1.7
157.08788	1.5
171.10254	3.1
181.86597	1.2
182.72678	1.2
183.13927	3.6
211.13454	2.0
227.12837	3.7
231.10318	2.4
242.11533	1.7
247.17168	1.7
265.18027	1.4
275.09360	4.4
293.04843	13.8
294.05170	2.6
312.07581	1.7
322.05106	8.9
323.05569	2.7
327.21799	10.6
373.11096	13.1
374.11282	2.9
391.12228	17.8
392.12418	3.6
393.73792	1.5
405.10159	3.8
409.13303	3.5
427.14316	18.6
427.23364	9.0
428.15408	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	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01384	100.0
60.01714	0.8
60.09700	0.7
61.98819	1.4
69.86146	3.8
71.01387	23.1
72.99323	0.8
73.02959	12.5
83.01400	3.4
85.02958	5.1
88.40118	0.6
89.02451	4.6
95.01421	1.4
95.05080	0.7
96.96037	2.0
97.02991	2.8
98.19849	0.7
99.00900	1.5
101.02441	10.0
106.70100	0.6
108.05824	0.8
109.02980	1.4
113.02464	8.8
113.06110	2.2
115.00378	6.8
119.03546	1.5
123.08222	1.1
125.02464	0.8
125.06110	1.5
130.08653	0.8
131.03490	0.7
133.01448	1.1
134.03775	4.5
136.01703	1.0
136.05368	1.8
138.06886	10.3
139.07663	3.5
143.03557	1.0
149.06117	0.9
151.07663	10.8
152.04874	1.2
152.08440	22.5
153.09219	60.6
154.09592	3.0
161.04587	4.3
163.11345	1.5
165.09225	2.1
167.07106	1.0
176.04793	3.7
177.09186	1.4
178.02809	1.1
179.10800	0.8
189.09151	0.8
190.10045	1.0
193.05058	4.5
205.08780	6.4
205.12326	20.9
206.12766	2.2
223.13400	7.5
231.10353	2.0
249.11322	5.5
265.07379	0.9
267.12344	3.6
311.11462	2.0
367.17715	4.2
385.18756	2.8
407.85107	0.8
427.12778	2.5
427.19781	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	427.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44576	0.9
59.01379	3.7
60.38379	1.1
61.98823	1.6
66.09421	1.0
70.38358	0.9
71.01371	1.4
71.59169	1.2
72.00912	21.4
74.29076	1.0
78.95931	1.4
80.46188	0.9
108.97209	3.7
109.50943	0.9
115.00397	1.9
127.96645	1.3
133.01430	4.1
141.98206	2.3
143.25816	1.1
147.04527	59.6
148.04895	2.3
154.06219	1.2
154.97757	5.3
164.07173	69.7
165.05568	1.2
165.07520	3.3
171.79376	1.0
187.98785	3.6
200.98311	2.8
261.96152	2.6
283.48837	1.0
335.05701	1.9
409.82111	1.4
427.11868	100.0
428.12198	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	425.291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28212	0.7
54.62147	0.7
59.01397	0.8
61.98830	1.0
78.95914	3.0
98.20686	2.2
99.95277	0.7
116.60728	0.8
133.72093	0.6
149.20552	0.6
152.99591	4.6
165.09299	0.6
245.19200	1.1
289.25323	2.5
294.61676	0.7
315.23349	0.8
333.24359	100.0
334.20703	0.9
334.24710	14.7
351.25403	17.3
352.25656	2.6
407.28101	0.8
425.28915	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53227	0.4
66.86527	0.4
69.48753	3.3
111.73042	0.4
137.06146	0.7
162.10495	0.6
165.09166	0.8
165.12766	0.5
167.14403	0.4
217.15990	1.0
245.19090	0.8
279.19379	0.4
283.92474	0.4
289.25421	2.4
300.20380	0.4
315.23083	0.8
333.24350	100.0
334.24710	13.9
351.25418	16.4
352.25729	2.4
361.27338	0.4
365.04950	0.4
407.28268	0.5
425.28995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22863	0.4
58.93453	0.5
59.01384	12.8
61.98826	2.1
67.84061	0.5
70.34838	0.5
70.35177	1.6
71.01386	19.5
72.99287	0.5
73.02943	2.7
78.95890	0.6
83.01392	0.8
85.02963	0.8
87.00910	0.6
89.14177	0.5
90.96726	0.5
93.03488	0.9
93.56513	0.4
96.96014	2.8
101.02448	2.1
108.02077	0.5
108.02925	0.4
113.02448	0.6
115.00385	18.8
116.05072	10.5
116.05798	0.3
117.05362	0.4
119.05035	0.7
121.02964	100.0
122.03290	4.5
133.01440	5.2
135.04572	1.1
135.11801	1.0
137.36345	0.5
142.06657	0.7
144.08211	0.5
146.03738	0.7
152.04851	0.5
159.04529	1.2
159.11790	0.7
161.09750	2.8
172.05319	1.7
173.06102	4.3
174.06839	0.9
175.07706	0.6
179.10791	5.0
187.04039	1.9
187.07661	19.5
188.07159	5.5
191.74959	0.5
201.05652	2.2
202.06369	14.2
203.10732	3.1
205.12370	1.0
213.09224	1.8
216.07922	1.9
223.09682	2.4
231.10268	39.8
248.10806	13.2
249.11111	1.8
275.09265	3.4
292.09744	0.8
310.10858	33.8
311.11151	3.6
341.09100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49379	0.8
52.08046	1.1
59.01378	2.0
61.98822	5.3
68.89795	0.8
69.98372	0.8
70.03779	1.8
70.04189	3.3
71.01388	52.1
78.95907	1.5
83.05042	1.6
94.62418	0.8
98.19994	1.8
99.92586	0.9
109.06647	1.0
111.08162	20.1
112.08511	1.2
114.99648	1.6
115.00385	22.4
116.00727	0.9
116.04401	1.0
116.92853	2.0
133.01431	3.0
151.11287	1.4
153.12881	2.3
169.12364	6.1
179.10721	1.3
197.11827	78.7
198.12234	6.3
199.13390	2.2
211.13383	5.6
227.12869	2.0
231.44095	1.0
247.20523	1.0
263.20108	2.7
265.17987	3.4
273.18771	1.0
288.41849	1.0
291.19675	15.0
292.20151	1.8
309.20724	100.0
310.21112	9.9
328.97787	0.8
334.51370	0.9
369.66324	1.0
425.27469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
57.18888	0.7
59.01384	100.0
60.01711	1.0
61.98839	1.6
69.87214	3.7
71.01403	0.8
80.68857	0.7
87.35023	0.6
88.01902	0.7
91.07964	0.7
98.19994	1.0
100.59545	0.7
109.50694	0.7
121.99110	0.8
146.16197	0.7
154.26950	0.8
255.88794	0.8
291.19757	2.4
309.20813	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	425.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43176	0.5
59.01384	1.2
61.98814	0.6
62.84983	0.5
69.35086	5.0
83.05074	0.7
98.02679	0.5
127.14382	0.6
137.06126	0.6
139.04036	0.5
165.09224	1.0
167.14412	0.5
208.03130	0.6
217.15915	0.8
221.11751	0.6
245.19099	1.8
274.46866	0.5
289.25482	3.3
333.24353	100.0
334.24719	15.6
351.25433	16.5
352.25632	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97565	2.9
59.01381	4.9
60.44689	1.4
61.98833	30.3
70.73505	3.7
71.01392	5.7
75.31456	1.3
78.95933	2.8
83.05047	2.3
94.04202	1.8
95.66255	1.5
96.96024	3.6
96.96989	4.1
97.06574	1.6
99.00896	2.4
99.92589	70.0
100.92601	4.4
100.93339	3.1
115.00415	2.7
115.92082	88.4
116.92149	4.6
116.92866	100.0
117.92886	7.3
135.04460	2.4
143.46088	1.4
163.72351	1.5
171.10207	1.8
185.11765	1.7
209.11827	10.5
215.03326	1.5
220.98955	1.6
230.96819	1.7
259.88843	1.3
291.03214	1.5
297.04169	1.5
307.19159	6.6
309.04407	4.5
309.20602	3.2
325.20154	4.8
328.07089	4.0
338.04654	5.9
385.07480	3.7
389.10709	38.9
390.10770	8.6
393.58615	1.8
403.08566	11.7
404.08701	1.9
407.11584	9.9
408.12131	1.9
425.12863	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	424.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82265	0.7
59.01394	1.4
70.11859	2.6
70.12281	1.6
71.01383	23.3
71.01768	1.6
72.01724	1.2
72.99316	3.1
73.28833	0.8
89.02447	2.1
96.36211	0.7
96.96000	1.2
97.06628	1.5
114.97068	0.8
115.00377	45.5
116.00743	1.7
116.05065	21.6
117.05414	0.9
129.03464	1.2
130.04236	0.8
133.01436	100.0
134.01738	2.4
134.03746	10.2
135.04591	15.3
136.04842	2.2
142.06645	0.8
147.04552	7.1
178.02661	1.7
179.03508	13.1
191.03545	2.6
248.07182	4.5
249.07852	1.3
262.08746	2.2
264.10300	13.8
265.10776	0.9
276.09549	1.4
307.11960	2.5
308.09250	40.7
308.12326	8.6
309.09653	5.6
356.18695	0.8
442.50079	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
69.56754	0.8
69.57160	1.5
71.01387	14.5
72.99308	0.8
78.86588	0.4
78.95933	0.5
78.96834	0.5
79.95693	0.5
81.44297	0.4
87.00886	0.7
89.02437	0.7
92.82016	0.3
93.03446	0.5
96.95997	0.4
99.36021	0.3
107.86944	0.4
109.02938	0.3
115.00383	23.0
116.00693	0.4
119.05033	88.5
120.05370	5.5
125.02490	0.4
127.15620	0.4
128.03607	0.3
130.25171	0.4
131.19017	0.3
133.01448	36.8
134.01753	1.3
135.04535	1.5
137.06062	0.6
143.04652	0.5
146.03752	0.5
146.89931	0.4
150.04187	0.5
159.04541	0.7
160.05304	0.8
162.89363	2.3
163.04018	100.0
164.04352	6.3
171.08060	0.6
172.05315	0.5
173.06082	0.5
175.07664	1.0
177.01949	0.4
178.02731	0.8
179.03505	0.8
187.07664	1.7
189.09238	4.4
200.04800	1.1
201.09254	0.9
201.11220	0.4
203.03612	0.4
215.07053	0.5
229.08746	3.5
230.08841	0.4
247.09747	6.2
248.10202	0.5
261.03784	0.5
265.10818	1.3
291.05408	0.7
291.08701	2.2
309.09811	23.0
310.10162	2.1
320.52048	0.4
425.10873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00880	0.4
61.98866	0.4
70.17486	1.3
73.37231	0.4
78.95989	9.7
83.48933	0.4
98.19927	0.5
104.97565	0.7
110.42699	0.4
110.98537	8.0
163.11314	3.9
167.01154	8.6
167.02419	0.5
183.01236	0.5
185.02184	2.7
204.14978	0.3
247.16888	2.1
255.23299	100.0
256.23630	10.5
259.16901	0.5
339.19864	1.6
423.24847	13.4
423.28613	1.2
424.24966	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	423.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65361	2.2
78.95907	13.8
104.97542	0.4
110.98542	9.6
113.10155	0.4
122.72052	0.4
123.55949	0.4
137.00143	0.5
167.01164	12.1
185.02226	2.3
255.23305	100.0
256.23630	7.7
284.57443	0.4
413.38345	0.3
423.25174	17.5
424.25571	2.4
429.60245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62239	0.3
59.01381	3.8
61.98815	0.5
71.01385	12.8
71.60189	0.5
72.99303	3.0
76.12301	0.3
89.02448	2.1
93.03484	0.6
96.72331	0.3
96.96001	2.6
101.02447	0.5
103.97303	0.3
108.45978	0.3
115.00376	41.9
116.00728	1.1
116.05065	7.6
116.17508	0.3
116.94587	0.3
119.05031	0.7
133.01436	100.0
134.01759	2.1
134.15242	0.3
137.02464	1.0
147.04500	2.1
191.03479	1.7
202.00970	0.4
264.10269	2.1
308.09305	5.0
309.09732	0.9
381.16757	1.3
381.67316	0.7
401.67310	0.4
402.17374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.1
61.98832	4.4
63.03932	1.0
63.58331	1.1
66.00822	1.0
69.08806	1.1
69.35189	1.6
69.35599	7.6
71.01386	53.8
79.95736	2.3
83.94997	1.0
85.02958	1.3
93.03469	2.4
95.05065	1.7
96.96028	11.1
97.06627	2.6
98.20718	1.3
101.02403	1.2
101.56168	1.1
105.03469	6.9
115.00379	27.7
115.01134	2.1
116.05052	1.3
121.02951	6.2
130.02458	1.5
133.01396	3.5
133.02960	67.6
134.03758	74.2
135.04614	10.0
137.02441	30.0
139.04005	12.9
145.06227	1.9
149.02484	1.8
150.03241	2.2
164.98747	1.3
177.01933	100.0
178.02722	66.9
179.03398	6.9
213.09258	2.0
231.10260	9.8
260.73331	1.1
263.12949	1.1
268.26358	1.2
275.09253	70.3
276.09537	6.9
307.11877	37.6
308.09186	1.5
308.12234	3.7
402.17377	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	423.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41217	0.7
64.83618	0.7
70.22636	1.6
70.23047	2.2
71.01386	46.4
72.01741	1.0
97.06615	5.3
103.24506	0.7
115.00383	15.2
116.05049	0.9
133.01468	2.0
133.02945	4.4
134.03749	100.0
135.04445	7.8
137.02457	1.9
177.01927	8.3
178.02731	24.1
179.03316	2.0
231.10257	3.2
231.97948	0.8
275.09265	7.3
301.97375	0.8
307.11890	63.2
308.09131	1.4
308.12225	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	423.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42977	1.0
51.71021	0.9
69.57558	7.0
71.01388	72.0
72.93325	1.0
77.88516	0.9
79.50745	1.0
83.48875	1.0
87.30143	0.9
88.78217	0.9
89.35914	1.0
90.54118	0.9
90.70884	1.2
96.99297	1.1
97.06596	2.7
115.00380	19.9
115.01132	1.6
121.02943	2.1
122.70512	0.9
133.01416	3.5
133.02956	16.8
134.03758	56.1
135.04607	8.7
137.02452	12.9
138.02812	1.1
139.04012	4.8
159.18188	0.9
162.03264	1.7
177.01942	33.3
178.02719	100.0
179.03320	11.3
231.10237	8.3
275.09259	33.2
276.09555	2.7
306.14600	0.9
307.11862	19.0
308.09189	1.7
308.12271	2.3
312.26572	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90773	0.9
59.01369	1.1
70.22637	2.3
70.23036	2.4
71.01386	48.3
97.06580	5.3
115.00386	15.9
116.05011	1.3
120.60556	1.0
133.02965	4.0
134.03749	100.0
135.04604	15.0
137.02484	1.5
147.04617	1.2
177.01871	6.1
178.02727	19.8
179.03381	2.7
219.54662	1.0
231.10284	5.0
268.17474	1.0
275.09256	10.8
307.11884	81.9
308.12283	9.3
428.85248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
59.01384	86.9
59.97603	0.8
60.01727	1.0
61.98836	6.8
62.77092	0.6
65.07693	0.7
68.99821	1.5
69.03468	3.2
69.34113	6.3
71.01387	49.0
72.01746	1.2
72.99340	0.7
73.02965	2.1
81.03471	1.0
83.01403	4.4
84.43328	0.6
85.02965	7.2
85.23958	0.7
87.00897	1.3
89.02466	1.6
89.06099	8.0
95.01395	2.6
97.02953	3.4
99.00887	1.2
101.02467	1.3
102.04214	0.7
112.01660	1.1
113.02457	8.1
121.02966	100.0
122.03323	4.2
124.01675	2.6
125.02476	4.1
142.02716	1.2
143.03511	1.3
147.00909	1.0
161.04498	0.8
165.01952	2.2
185.08194	1.3
219.35594	0.7
233.10306	18.8
233.12611	1.0
234.10681	1.7
237.07652	3.1
264.09955	1.0
275.11523	2.2
291.08765	3.1
307.18964	0.7
381.11874	7.8
414.49435	0.8
423.12967	36.3
424.13501	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	423.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.6
57.97561	1.0
59.01383	76.2
60.01717	1.0
61.98832	4.6
66.68471	0.6
68.99815	1.0
69.03437	3.1
69.57195	4.2
71.01389	35.0
73.02952	2.1
77.17941	0.5
78.95932	2.6
81.03472	1.1
81.08076	0.5
83.01414	3.0
85.02967	8.9
87.00890	1.0
88.04044	0.6
89.02441	1.3
89.06092	7.1
93.03479	1.2
95.01392	3.1
96.96048	1.2
96.96967	5.2
97.02950	3.4
99.00885	1.5
101.02444	1.7
112.01678	2.0
113.02451	9.0
113.92567	0.6
115.00371	1.0
121.02965	100.0
122.03304	4.3
124.01662	3.0
125.02471	3.2
133.01451	1.0
141.01935	1.0
143.03500	1.3
152.99596	0.6
161.04597	1.0
165.01938	0.7
185.08206	2.0
209.11859	0.9
219.06636	0.9
233.10301	29.7
234.10680	2.6
237.07674	1.2
275.11493	0.6
291.08969	0.8
353.50375	0.6
381.11896	9.0
382.12167	0.7
423.13000	37.2
424.13318	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	421.2711
Annotation	Volicitin
Peak:m/z	Relative Intensity
58.02973	2.5
59.01376	2.0
61.82545	1.1
61.98837	1.7
71.01392	1.3
71.60697	1.5
74.02482	1.5
82.02963	1.5
84.04556	3.3
84.12657	1.0
88.50702	1.1
101.07216	1.9
107.02489	1.3
109.04072	6.5
115.00360	1.1
125.03600	1.9
125.07179	1.9
127.05141	49.0
128.03554	11.5
128.05524	1.1
129.61153	1.0
145.06201	42.1
187.25974	1.0
207.13826	1.9
233.15395	2.3
235.13554	1.1
239.11626	1.1
261.19818	2.1
309.18466	1.2
323.19772	3.4
351.19736	1.3
352.19958	1.5
403.25781	11.0
414.26935	1.4
421.27087	100.0
422.27405	15.1
443.39746	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97560	6.9
58.02981	5.5
59.25190	2.8
69.33546	22.6
71.01369	6.1
74.02474	15.7
75.61932	2.6
86.02454	6.1
87.05639	3.7
95.95241	3.2
96.96011	7.9
96.96997	3.9
99.05672	14.3
102.05591	3.2
108.04482	2.7
115.00372	5.8
128.03539	37.5
133.01472	6.4
133.02940	5.0
135.11484	2.7
138.54578	2.7
141.06680	4.3
143.04619	53.0
144.05055	4.4
145.06218	3.1
146.04594	4.7
153.06697	5.2
160.00745	12.3
160.52499	2.8
167.04697	4.0
177.01978	5.8
177.03357	5.9
179.04654	9.1
210.08810	7.1
254.07825	13.4
262.05322	4.3
272.08942	20.8
288.06601	8.2
306.04163	6.3
306.07654	100.0
307.07977	8.7
310.35873	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39391	1.6
55.01859	2.8
57.03437	2.7
59.01378	5.6
61.62121	1.5
69.03457	5.2
70.91463	3.8
70.91836	1.6
71.01383	66.6
73.02933	1.9
81.03462	2.4
81.53816	1.6
83.01378	7.5
85.02956	17.5
95.01371	2.0
97.02963	9.4
99.00885	7.5
101.02421	3.6
111.33800	1.6
113.02461	20.4
125.02480	10.8
130.18834	1.5
132.27527	1.5
140.11720	1.7
143.03555	2.4
152.99571	1.9
164.67090	1.5
173.40652	1.5
232.62094	1.8
234.04565	1.9
277.21725	100.0
278.22147	11.3
291.23257	3.2
301.21744	1.8
303.58282	2.0
345.24066	1.8
373.23996	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	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56151	0.6
67.34811	0.5
69.55817	3.4
78.95909	31.5
84.34420	0.6
98.19843	0.6
110.98537	55.2
111.98911	0.6
118.66107	0.5
152.99576	3.9
167.01154	1.6
185.02203	100.0
186.02570	2.6
190.58257	0.6
253.21730	26.3
254.21964	2.6
316.48914	0.5
378.80515	0.5
421.23523	3.1
422.23712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2757
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
59.01382	3.7
61.98830	0.4
70.26385	1.7
78.95845	0.4
93.03462	0.5
95.12887	0.4
121.02959	100.0
122.03305	4.3
123.06039	0.4
159.85985	0.5
162.83096	0.4
206.14629	0.5
274.07196	0.4
306.53415	0.5
348.16400	0.5
361.83359	0.5
420.27554	55.1
421.27820	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	420.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01158	0.5
53.98066	0.4
58.02981	10.7
59.01368	1.7
61.98833	1.1
66.03490	0.5
69.53632	3.1
71.01373	1.9
72.00922	4.4
73.04081	7.7
74.02465	0.8
74.90096	0.5
78.13717	0.5
78.95924	0.7
82.06629	1.0
83.01396	0.5
84.76379	0.5
91.05528	3.9
91.21552	0.5
96.96037	2.4
97.04080	1.8
98.02490	4.4
98.95590	1.2
101.02465	0.7
108.08193	1.7
112.07670	0.6
115.00404	0.7
115.05142	5.4
116.03537	1.2
126.09234	0.9
129.01976	0.7
129.10353	13.8
130.10643	0.5
134.03828	0.9
135.04449	0.6
141.10347	2.0
143.11877	1.1
147.04533	19.1
148.04893	1.6
151.08789	1.2
152.07182	9.3
152.10858	0.8
155.08252	1.8
164.07173	42.3
165.07530	1.7
168.11430	16.1
169.09843	1.6
169.11662	0.8
185.12918	1.0
186.12485	33.9
187.12802	1.5
196.09741	0.9
210.12477	22.7
211.10873	3.6
211.12784	1.1
228.13539	2.9
233.16603	9.3
234.16930	1.2
259.14374	0.8
277.15546	6.5
278.15897	0.7
290.18738	8.9
291.19183	0.8
305.10208	0.8
332.09509	0.5
332.19781	4.4
376.18784	100.0
377.19104	13.1
381.21988	0.6
402.20380	1.5
420.21454	14.7
421.21597	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	419.2552
Annotation	1-oleylglycerone 3-phosphate
Peak:m/z	Relative Intensity
58.02982	1.6
59.01384	9.1
59.60245	0.8
61.98829	1.2
63.38523	0.8
71.01381	1.6
74.02479	1.8
79.95737	1.1
82.02996	1.2
84.04548	5.3
95.05027	1.1
96.96005	3.9
98.20659	1.9
101.07207	4.9
107.02508	1.5
109.04064	6.9
109.06557	2.2
125.03559	2.2
125.07259	1.1
127.05148	49.7
128.03564	10.7
128.05507	1.4
145.06201	51.4
146.06477	1.3
163.11290	3.0
165.12851	28.4
166.13223	2.5
273.18713	2.1
290.21280	2.5
334.67166	1.1
357.25525	5.2
375.26654	1.2
390.98560	0.8
401.19470	1.2
401.24390	8.2
402.24683	0.9
419.25525	100.0
420.25851	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90255	0.9
58.02984	9.1
59.01384	2.1
61.31243	1.2
63.71339	1.0
70.03030	3.8
72.00927	1.3
74.02478	18.5
77.43349	1.0
81.04552	0.9
82.02995	2.3
86.02473	5.4
86.06143	1.3
87.05632	3.1
97.04072	1.1
99.05645	16.8
101.07216	2.8
102.05618	3.0
107.06130	1.2
109.04053	2.3
112.04057	1.5
113.07168	1.2
116.01778	1.6
117.03820	2.4
120.01260	1.0
123.05698	2.1
125.03599	2.2
127.05147	2.7
128.03548	43.0
129.03888	2.2
135.05630	3.7
141.06691	4.0
143.04634	61.2
144.05009	1.9
145.06174	3.1
146.04639	6.2
153.06706	4.7
160.00771	13.2
166.09853	2.0
167.04593	3.5
167.08253	2.8
177.03407	4.9
179.04622	12.2
181.06258	1.3
185.05708	2.5
197.05632	2.1
210.08855	11.6
254.07785	16.5
272.08878	31.6
273.09128	2.6
278.40060	1.1
288.06592	9.7
306.07666	100.0
307.07925	5.2
402.13751	1.8
420.14417	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	419.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98816	50.2
70.98885	50.1
87.00885	32.5
96.95998	43.1
111.07910	32.6
193.02950	29.6
321.16998	33.8
404.32135	31.3
419.20538	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34373	0.8
57.20735	0.8
57.97554	1.0
59.01385	100.0
61.98841	1.7
69.56446	5.6
71.01395	4.1
73.02924	1.0
77.96732	0.7
78.62746	0.7
83.76480	0.9
85.02949	0.8
87.04520	70.2
88.04895	1.1
96.96024	3.2
98.20625	1.7
98.95605	2.5
101.02460	1.7
113.02374	1.1
116.05112	1.4
136.54814	0.8
137.29231	0.9
151.84319	0.8
152.99632	0.9
161.04507	1.2
173.06104	0.9
183.10280	1.2
188.07108	1.0
193.05067	1.8
193.89232	0.8
213.25650	0.8
231.10208	1.9
262.08850	1.0
278.11554	1.0
376.19052	0.9
419.20880	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92281	0.5
59.01383	67.9
60.01720	1.0
69.38779	1.5
69.39205	3.2
71.01373	1.1
79.19402	0.5
87.04520	100.0
88.04859	2.1
88.64275	0.5
89.02435	0.9
94.07092	0.5
96.96014	1.7
98.95577	1.6
101.02480	0.9
113.02460	0.5
119.74284	0.6
122.25033	0.6
141.59381	0.5
175.25116	0.7
190.12360	1.3
204.06636	0.7
257.21219	1.0
305.35696	0.7
317.80124	0.6
338.10275	0.7
419.21320	0.8
419.26492	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	419.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.8
61.98841	0.8
63.22794	0.3
70.09223	1.5
71.01385	0.8
78.95921	0.3
83.01375	0.4
85.02981	0.4
85.48918	0.3
87.04522	100.0
88.04840	2.6
96.96018	1.0
102.94234	0.3
113.02406	0.4
116.05070	0.4
145.12378	0.5
178.40021	0.3
205.83243	0.3
231.10300	0.5
257.21176	0.6
336.97455	0.3
419.21579	0.5
419.26465	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	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	41.1
60.01706	1.7
61.98834	100.0
71.01389	5.6
71.60023	1.5
74.02490	1.6
74.99086	3.6
85.02956	3.3
89.02415	1.2
95.95221	4.2
96.96024	7.1
100.00378	1.4
101.02451	4.0
128.03516	3.7
142.64615	1.2
143.04596	2.0
143.32379	1.1
151.00394	1.2
161.04543	3.4
162.04857	1.5
174.02481	1.2
180.06639	1.8
183.10249	7.7
224.13405	0.9
228.03708	1.4
228.09961	1.1
256.03293	2.0
269.10251	2.9
272.08820	4.3
285.03458	1.4
337.04214	2.5
339.03760	2.9
355.07587	1.2
358.15857	3.0
418.02875	2.8
418.08154	1.9
418.16537	1.3
419.09995	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01730	1.3
69.57647	1.0
69.58058	1.5
71.01410	0.7
96.96031	0.9
97.79425	0.3
98.20548	0.7
111.08236	0.4
111.10117	0.3
155.50061	0.4
187.09758	0.4
211.43254	0.4
219.68851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01712	1.5
61.98835	0.6
66.06777	0.5
66.94202	0.6
71.01395	1.7
71.60228	0.6
72.99290	0.6
75.16660	0.5
79.95720	0.5
85.02966	0.9
96.96020	3.0
99.00906	0.9
101.02442	1.0
106.06577	0.7
112.98804	0.7
115.00317	0.7
116.05018	0.6
120.29942	0.5
142.99890	2.0
174.01706	2.2
211.13387	0.8
283.02451	0.6
307.12106	1.0
329.23373	1.1
367.14108	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	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
56.88210	0.6
57.03445	3.3
57.97564	10.4
58.00603	1.1
59.01381	100.0
60.01720	1.7
61.98840	1.7
67.01881	0.9
68.99799	0.9
69.03463	1.5
69.47291	3.1
69.47720	2.6
71.01384	32.1
72.99310	29.1
73.02950	13.3
75.00877	51.6
83.01398	5.7
85.02953	16.2
85.03456	1.2
87.00852	3.4
87.24438	0.8
89.02451	11.3
89.55743	0.8
95.01408	3.3
95.95211	1.2
96.96020	7.4
97.06586	0.8
98.20583	1.4
99.00894	3.3
100.98833	1.1
101.02446	19.8
101.03082	1.3
108.02202	0.8
113.02448	9.3
115.00390	3.2
115.20956	0.8
116.05073	1.6
116.98306	6.8
117.01962	1.0
118.06642	19.1
119.03522	4.1
119.05061	3.2
121.02953	17.1
121.03829	0.8
125.02444	0.9
127.11317	1.0
129.01953	1.2
130.99899	1.4
131.03479	1.0
133.01442	2.1
135.02971	6.6
135.04567	1.2
137.02379	0.9
137.06099	10.0
143.03529	2.0
145.06282	0.7
149.04616	1.2
159.02943	0.7
161.04546	5.8
163.04045	2.7
163.06454	1.8
173.00958	0.8
174.01680	1.4
179.05588	0.9
179.96698	0.8
180.06711	2.6
185.13422	1.5
190.05110	1.1
209.04538	2.4
211.13478	0.9
227.03870	0.8
255.03033	2.0
256.13403	14.4
284.03458	1.1
284.12881	0.7
285.07703	1.9
296.13211	0.9
298.10995	0.8
300.12567	2.3
328.17905	2.0
329.06824	1.2
329.23489	1.8
331.21298	11.2
332.21759	1.4
335.18964	1.7
337.18390	34.0
337.68573	15.3
338.18732	2.4
366.18927	2.9
366.68839	1.1
367.14191	1.8
375.20334	1.3
395.18942	6.6
395.69043	3.4
400.35675	0.7
417.08206	12.3
417.12918	1.0
417.21503	5.8
418.08633	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01699	1.4
70.08297	3.7
71.01049	0.8
71.01368	5.1
77.80165	0.7
85.02946	0.8
87.00903	1.0
89.02451	0.9
91.27353	0.8
91.91963	0.8
93.75557	0.8
96.96001	3.7
98.95603	1.1
99.00865	1.1
101.02431	1.8
112.98831	1.4
113.02464	1.2
115.00356	0.8
142.99846	3.1
153.91017	0.9
173.00896	2.4
174.01668	6.1
193.12350	1.2
204.43588	0.9
211.13387	3.3
289.07104	3.3
307.11945	1.8
329.23361	1.7
367.13943	7.2
368.14664	1.3
377.83939	1.2
418.17325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93656	0.5
56.70868	0.6
59.01385	100.0
59.13828	0.6
60.01719	1.3
61.98837	0.6
64.21098	0.5
67.37586	0.5
71.01393	2.7
71.09197	1.5
73.02950	0.8
83.01414	1.2
86.67766	0.6
94.51022	0.6
96.96022	2.5
105.01955	1.5
113.02520	0.9
115.00377	1.0
116.05088	2.4
121.02953	1.2
154.99898	3.0
173.00920	4.9
189.94385	0.6
190.12456	1.0
245.10947	1.1
283.06461	1.9
301.20438	1.0
329.23486	1.6
344.10580	0.7
381.13873	1.1
416.04895	0.7
417.11618	2.1
417.24680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53396	0.5
59.01382	100.0
60.01721	1.2
61.98841	1.3
70.62526	1.0
70.62882	1.7
71.01390	1.7
79.95800	0.5
83.05027	0.8
85.02982	0.7
85.18788	0.6
94.09092	0.6
96.95995	3.3
101.02487	1.2
111.08179	5.2
116.05106	1.2
121.02993	1.9
122.43365	0.6
125.09724	4.0
140.00516	0.5
173.08208	3.4
187.09772	4.3
246.92210	0.6
261.13452	1.3
329.23349	0.8
359.06708	1.2
395.15463	1.0
417.08139	0.8
417.21063	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	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01717	2.0
60.27832	0.7
61.98804	0.9
70.35019	2.4
71.01378	3.1
74.65404	0.7
79.95734	0.8
85.02954	1.6
87.00871	1.0
94.62413	0.8
96.95997	3.8
97.16564	0.8
99.00887	1.6
101.02462	1.2
103.68203	0.8
112.98808	1.4
115.00393	1.8
116.05026	0.9
123.04530	0.9
142.99866	3.0
161.04582	0.9
173.00945	1.6
174.01720	6.0
175.02269	0.9
200.02618	0.8
204.41492	0.8
211.13347	2.2
249.58925	0.8
289.07217	2.6
307.11716	1.0
329.23495	0.9
343.21024	1.2
349.12955	1.1
367.14026	6.1
417.24329	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27960	1.8
59.01383	100.0
60.56838	1.6
69.79671	9.7
96.82394	1.6
103.47284	1.8
338.53433	1.6
415.15509	3.2
415.25049	4.1
416.16425	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09716	1.0
59.01382	12.1
61.98830	3.5
71.01371	1.4
71.49702	1.9
71.51826	0.9
71.83163	1.0
78.39998	0.8
86.60255	0.9
94.06638	2.2
96.96051	2.4
105.05856	1.4
107.03780	4.4
116.05072	29.3
117.05389	2.1
120.04627	1.1
120.08201	77.5
121.05394	1.1
121.08553	4.7
122.06133	100.0
123.06475	3.7
131.25993	0.9
134.06158	1.8
134.09749	3.1
136.07657	4.8
137.04823	1.4
152.07172	6.4
164.07185	19.4
165.07529	1.2
239.14551	1.0
240.12759	1.5
243.15057	2.7
249.13976	15.4
250.14287	1.0
255.15047	27.2
256.15347	3.5
287.10980	2.1
287.14029	36.1
288.14371	5.0
293.12985	3.2
309.98691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29972	0.8
59.01387	2.7
61.98836	13.7
66.03506	0.8
69.87310	3.7
71.01406	3.8
74.99103	37.9
79.95747	15.6
80.96514	1.6
82.02975	1.7
85.02958	1.8
95.95242	48.5
96.96018	100.0
101.02444	1.0
110.02481	5.7
111.02007	6.6
112.98843	0.8
130.08728	4.8
131.09100	1.3
134.04738	3.6
138.97069	1.8
142.99907	1.0
152.03511	1.3
176.02086	1.4
195.03331	0.9
200.05722	2.7
224.97179	0.9
243.06190	9.0
244.06601	0.9
259.01309	1.9
274.99127	1.5
286.06079	8.9
416.24658	1.4
417.24838	2.8
418.03082	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06099	1.1
59.01097	2.3
59.01385	40.3
61.98828	4.3
62.02179	1.0
70.54604	2.1
71.01389	3.1
72.89049	1.0
73.02947	1.0
73.40411	1.4
74.02482	2.3
74.99101	11.0
75.00877	1.5
79.95747	3.8
87.77356	1.0
89.02462	1.6
89.12165	1.3
93.45618	1.1
95.95235	14.9
96.96009	32.0
108.02181	5.4
109.02994	1.8
112.12299	1.2
113.02443	1.2
118.82532	1.2
122.03728	2.1
123.04562	1.3
127.05146	1.4
128.03564	3.4
133.01411	1.9
139.04683	1.2
143.04602	2.4
145.06207	1.5
150.03235	49.0
151.03574	2.3
152.01163	10.9
163.04047	1.3
165.05583	43.6
166.05907	2.8
177.05600	1.8
179.03409	1.6
180.04301	8.3
181.08742	5.6
181.15816	1.1
183.47729	1.3
195.06628	100.0
196.07014	5.6
265.08133	1.4
272.08707	1.6
306.07758	2.2
331.06818	1.7
373.08081	1.3
417.10480	8.9
418.03137	15.3
418.08994	1.5
418.11060	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
74.99094	7.3
77.00670	80.9
78.00997	1.3
78.69727	0.5
121.60184	0.6
147.08192	1.8
149.09723	2.3
161.09685	1.0
163.11305	2.5
187.11243	2.4
277.31964	0.6
279.13959	0.8
280.14566	1.6
307.16940	0.6
309.22266	1.8
322.19431	0.6
337.21735	100.0
338.22104	15.5
415.23199	14.0
416.23367	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	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56108	0.6
57.97577	0.9
59.01385	100.0
60.01715	0.8
61.98839	4.6
71.01402	1.3
79.95748	3.6
85.02959	0.7
89.02442	1.0
91.04030	3.3
95.95238	18.3
96.96018	88.4
97.94822	2.2
97.95937	3.0
97.96504	0.7
98.95603	9.3
98.96436	1.6
111.08170	1.5
113.02427	0.7
113.89551	0.6
121.03010	0.7
125.09745	1.0
128.93225	1.6
137.79153	0.6
148.06960	0.6
151.07645	1.8
159.10225	0.6
169.08658	3.2
171.10249	0.9
205.04359	1.1
206.04643	1.1
223.94537	0.6
263.16455	1.9
281.17593	4.0
288.15005	0.7
329.05365	2.3
371.06485	1.1
415.06207	6.8
415.21683	0.7
416.05743	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	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56108	0.6
57.97577	0.9
59.01385	100.0
60.01715	0.8
61.98839	4.6
71.01402	1.3
79.95748	3.6
85.02959	0.7
89.02442	1.0
91.04030	3.3
95.95238	18.3
96.96018	88.4
97.94822	2.2
97.95937	3.0
97.96504	0.7
98.95603	9.3
98.96436	1.6
111.08170	1.5
113.02427	0.7
113.89551	0.6
121.03010	0.7
125.09745	1.0
128.93225	1.6
137.79153	0.6
148.06960	0.6
151.07645	1.8
159.10225	0.6
169.08658	3.2
171.10249	0.9
205.04359	1.1
206.04643	1.1
223.94537	0.6
263.16455	1.9
281.17593	4.0
288.15005	0.7
329.05365	2.3
371.06485	1.1
415.06207	6.8
415.21683	0.7
416.05743	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	415.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04640	1.1
55.01865	2.2
57.03463	2.7
58.00583	2.1
59.01382	99.7
59.93600	1.1
61.98825	1.1
63.42476	1.3
69.03455	4.3
69.04606	1.1
70.34096	1.0
70.91753	1.7
70.92073	1.4
71.01387	77.5
72.01720	2.2
72.99301	7.3
73.02956	9.8
75.00868	1.6
78.92736	1.1
81.03473	2.6
82.49900	1.2
83.01379	7.5
85.02954	16.8
87.00880	13.6
89.02450	86.8
95.01402	4.1
97.02966	6.2
99.00878	4.1
101.02450	64.9
102.60033	1.2
102.60725	1.2
108.03893	1.1
111.00883	1.2
113.02460	26.0
119.03512	25.9
121.02963	2.0
125.02456	15.4
131.03502	4.6
139.04013	1.4
143.03526	9.8
143.39389	1.1
149.04529	3.2
161.04573	11.1
179.05608	26.7
185.04579	1.5
221.06650	7.1
235.08231	12.6
248.84245	1.3
253.09302	8.5
263.07684	3.9
287.07806	2.1
305.08923	2.0
312.83206	1.2
397.14029	1.4
415.14603	100.0
416.14926	11.0
416.22681	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68361	1.2
55.01880	3.2
57.03440	2.4
58.00589	5.0
59.01382	98.1
65.94032	1.2
68.99814	1.5
69.03465	3.7
70.08404	3.6
70.08829	3.3
71.01388	75.6
72.01727	2.2
72.99308	6.5
73.02946	8.7
81.03458	3.2
83.01400	7.6
85.02950	16.4
87.00880	15.1
89.02449	89.4
90.02776	2.6
95.01394	4.0
97.02950	9.7
98.20570	1.9
99.00867	3.6
101.02450	64.6
102.02811	1.5
113.02451	31.2
119.03503	28.4
121.02953	1.8
125.02425	14.0
131.03545	3.4
137.98328	1.2
143.03502	9.1
149.04608	2.5
161.04559	14.3
179.05611	24.9
185.04570	1.8
196.05789	1.3
198.24802	1.2
221.06636	5.6
235.08224	13.6
238.45848	1.5
253.09305	7.3
263.07718	5.7
287.07785	1.5
305.08725	3.6
323.10049	1.8
397.13553	1.4
415.14575	100.0
416.14844	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	415.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20304	0.9
55.01887	2.3
56.18641	0.9
57.03459	1.5
59.01389	27.0
61.98841	14.0
65.72942	0.9
67.51353	1.0
67.99369	0.9
68.64747	0.9
68.99825	1.4
71.01398	6.7
71.60611	1.3
72.99306	4.3
79.95760	1.2
83.01397	7.5
85.02958	3.2
89.02470	1.7
95.35023	1.0
96.96000	3.8
99.00884	24.9
100.01694	1.3
101.02464	1.4
111.00893	21.7
112.01194	1.3
113.02484	2.6
116.05077	61.1
117.05460	1.3
121.02967	100.0
122.03296	5.5
128.01155	1.7
129.01939	5.1
130.06628	2.5
135.04567	1.2
139.00403	6.1
142.06660	11.3
154.06635	2.9
156.00674	10.0
157.01431	7.9
158.06149	1.1
164.98643	1.0
165.01884	1.7
168.04588	1.5
170.06201	5.2
172.07664	1.7
180.05858	1.0
181.05238	1.0
181.06628	5.5
182.06044	1.2
188.16484	0.9
195.12175	0.9
197.04846	14.1
198.05388	3.1
218.08226	2.3
225.05579	6.4
243.09317	1.1
245.10872	1.5
255.09381	4.8
256.09985	2.3
257.10812	6.9
258.11255	1.4
259.12332	1.6
267.09207	1.4
269.10880	2.2
270.08014	2.4
271.12433	17.5
272.12607	2.4
281.17563	1.9
285.10345	16.3
286.10715	1.7
287.11884	3.8
313.07248	2.2
315.11398	12.3
316.11780	1.2
323.11862	7.2
324.12357	1.7
333.12424	3.6
333.15918	1.2
357.06161	63.4
358.06409	7.5
369.12296	1.3
415.06726	3.2
415.12961	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
57.03450	12.2
59.01092	1.2
59.01378	17.6
62.37371	0.6
64.63172	0.6
68.92663	0.6
68.99810	1.1
71.01390	5.6
71.17077	0.6
72.99312	2.8
73.02954	1.7
75.00875	2.2
79.95741	3.8
80.96528	2.0
83.01383	3.8
84.02156	2.4
85.02953	100.0
86.03306	1.6
87.00873	1.6
88.90683	0.6
89.02445	1.6
96.96014	63.5
101.02465	3.2
103.00378	6.5
106.09112	0.7
111.00883	5.1
113.02448	0.6
115.00362	1.3
116.92842	0.9
126.61263	0.6
129.01952	8.8
129.56670	0.6
132.04631	0.7
133.01399	0.9
142.97350	0.7
147.02995	14.4
150.97141	0.8
152.98691	1.0
164.98666	1.9
173.00925	1.4
173.02370	0.6
174.28717	0.7
179.10782	0.9
187.20117	0.6
191.01981	34.8
192.02368	1.1
209.03024	8.6
210.03261	0.8
241.00194	2.1
255.16136	0.7
299.15256	0.8
299.18613	2.0
311.07980	1.2
329.09100	60.6
330.09366	5.3
357.79782	0.6
371.10159	22.5
372.10474	2.4
397.07507	0.9
415.08899	12.8
416.09674	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89899	0.6
53.56230	0.6
57.03442	3.4
59.01096	1.0
59.01384	17.8
68.67928	0.6
69.28433	5.4
71.01393	3.4
72.99315	0.7
73.02954	1.0
79.95735	5.1
80.35415	0.5
80.96516	1.7
83.01395	1.1
85.02959	20.3
89.02445	1.3
94.98096	0.9
95.24207	0.6
96.96017	90.4
97.95943	0.7
98.20741	0.6
101.02450	3.3
103.00387	8.1
111.00851	0.8
113.02460	0.7
115.00408	1.0
115.82254	0.5
119.15186	0.7
128.03514	1.2
129.01933	2.6
131.47151	0.6
133.01376	0.7
147.02986	2.5
152.98647	1.0
161.04562	0.6
164.98650	2.9
180.98128	2.0
191.01999	5.7
209.03020	1.0
241.00290	2.8
286.18030	0.8
299.15045	0.7
311.07953	2.0
329.09137	100.0
330.09491	6.9
371.10175	37.3
372.10510	3.3
397.08069	1.5
415.09183	26.0
415.14725	1.4
415.22913	1.0
416.09595	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	415.1039
Annotation	Galangin 3-rhamnoside
Peak:m/z	Relative Intensity
55.54770	0.3
59.01387	7.0
63.02401	0.5
65.00354	0.7
71.01395	3.3
71.60249	0.5
73.02946	1.6
83.01399	1.5
85.02962	0.9
85.17027	0.3
89.02453	1.1
96.96001	1.2
101.02438	2.0
107.01393	1.5
113.02455	0.5
115.00379	0.6
117.03421	1.8
119.03507	0.4
133.01390	1.0
148.01662	0.7
149.02446	1.6
149.99600	0.4
151.00395	3.1
153.07672	0.3
171.04492	0.6
171.10204	0.7
172.05266	0.5
184.05367	0.6
192.20921	0.4
195.04564	0.4
196.05296	0.8
199.03993	0.4
199.09698	0.4
200.04668	0.7
201.11314	2.0
209.08061	0.5
211.04015	1.3
212.04808	1.0
213.93872	0.4
224.04688	0.4
225.05470	0.5
239.03473	2.7
240.04265	4.4
267.03036	1.7
268.03775	100.0
269.04367	19.5
270.04932	0.9
297.20709	1.4
299.18869	1.6
311.05478	0.4
341.19992	0.5
415.10349	83.6
416.10684	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	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.4
57.03454	11.9
59.01095	1.2
59.01381	15.6
68.99815	0.7
71.01380	6.8
71.60136	0.8
72.99303	2.1
73.02953	0.9
75.00874	2.6
75.62224	0.5
83.01392	3.3
84.02171	2.8
85.02956	100.0
86.03287	2.0
87.00875	1.5
89.02458	1.8
96.96016	3.5
101.02441	2.5
103.00385	2.2
111.00906	4.1
114.02211	0.6
115.00390	1.6
119.03503	0.9
129.01955	9.5
132.04575	6.7
133.01402	1.4
134.03879	0.7
134.06136	5.7
144.04565	1.2
147.03004	11.9
164.07166	1.0
165.04033	0.8
173.00925	1.9
176.07191	0.9
179.10774	1.5
191.01982	39.4
209.03026	14.1
223.09785	0.9
231.18558	0.6
251.11891	2.0
253.09602	0.6
264.09131	0.7
267.77429	0.7
279.11441	5.7
280.11734	0.7
300.12225	0.7
311.14029	7.7
312.14224	1.3
339.13385	2.8
371.16168	2.2
372.16504	0.7
373.05981	0.7
393.17368	1.3
415.07214	1.3
415.12762	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	414.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86230	0.6
59.01099	0.7
59.01383	13.3
61.98819	1.9
70.62896	1.6
71.01375	2.5
79.95743	32.0
81.95271	0.6
85.02944	1.0
86.02480	13.8
87.00880	0.7
95.95239	25.6
96.96018	26.4
101.02457	1.3
105.01940	0.7
113.02428	0.7
116.05061	1.0
133.01514	0.7
133.02942	1.3
144.04555	1.2
249.18477	0.7
253.08313	0.6
265.21722	2.1
275.20123	7.4
276.20566	0.6
285.01840	1.4
291.19653	0.8
293.21240	34.2
294.21579	3.7
309.18820	3.3
327.19992	100.0
328.20367	11.6
414.07697	24.4
414.23206	66.1
415.07901	3.9
415.23526	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03454	12.7
59.01382	7.6
61.13242	0.4
61.98825	0.5
66.56100	0.5
68.99815	1.1
69.54363	1.8
69.54799	1.5
70.02981	0.5
71.01386	7.4
72.99313	2.2
73.02924	0.5
75.00871	2.9
82.46575	0.4
83.01392	3.5
84.02167	3.1
85.02957	100.0
86.03294	3.1
87.00893	1.6
88.04044	5.7
89.02467	1.7
96.00942	1.7
96.96017	4.7
98.02490	0.7
101.02444	1.7
102.05603	0.6
103.00394	1.2
109.60287	0.4
111.00886	6.2
113.03599	0.9
115.00388	4.2
121.02951	0.8
127.05128	0.5
128.03558	2.3
129.01945	8.7
129.10382	0.6
131.04614	0.7
133.01443	6.8
135.04520	1.4
143.11896	0.5
145.01427	0.7
147.03011	12.1
149.02443	3.5
150.02783	0.6
163.03984	0.8
164.04784	1.9
166.57773	0.4
173.00945	1.9
179.03506	1.2
179.07144	0.7
187.10831	0.6
191.01979	30.8
192.02316	1.0
209.03017	7.8
223.06174	1.8
281.19843	0.6
286.17844	0.6
300.19284	0.5
343.68365	0.5
373.82602	0.5
380.18237	5.9
397.20831	1.6
398.20279	0.4
415.14352	1.1
415.21616	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	413.291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01525	3.5
59.01385	100.0
63.42496	2.8
68.20945	2.7
70.17043	14.0
72.90845	3.1
73.44806	3.1
86.15958	2.7
90.56996	3.0
98.19840	3.3
116.68822	3.3
204.22731	3.2
237.60884	3.3
292.94034	2.9
293.07761	3.0
365.62933	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	413.291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28633	1.3
59.01384	100.0
60.01740	1.4
71.59924	2.7
116.29752	1.4
184.16458	1.4
198.60832	1.4
198.62714	1.5
213.54604	1.4
222.96112	1.3
247.31604	1.4
254.06967	1.7
296.85864	1.6
389.09171	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	414.0589
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36169	0.2
57.97560	0.9
59.01391	0.9
64.91638	0.2
71.60046	0.4
79.95741	2.4
83.09361	0.2
85.02953	0.2
95.95241	19.9
96.96017	100.0
97.95935	0.5
111.92954	0.5
116.05043	0.6
125.02462	0.3
128.93228	2.0
156.00648	0.3
172.70726	0.2
205.04404	2.2
224.25082	0.2
242.08266	0.6
266.10828	0.2
275.72827	0.2
334.10132	0.3
385.34171	0.2
414.05914	6.0
415.06421	0.7
422.75479	0.3
429.31708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.0769
Annotation	Chlorobiocic acid
Peak:m/z	Relative Intensity
59.01386	25.0
61.98837	3.8
69.39693	4.1
71.01380	3.6
73.02943	0.5
79.95744	100.0
80.95679	0.5
80.96535	1.6
83.01389	0.6
85.02959	1.7
86.02499	2.2
89.02470	0.6
91.19052	0.5
95.95240	74.9
95.97630	1.2
96.96017	79.6
97.95988	0.5
98.00735	0.5
99.00901	0.5
101.02448	2.0
105.13886	0.4
105.96036	0.5
108.04528	0.5
112.47614	0.4
113.02457	1.3
116.05075	1.0
134.06142	0.8
144.04579	2.5
145.04012	0.9
145.06282	0.6
160.04083	0.6
162.05655	0.8
164.98631	1.5
169.04109	0.7
187.05136	2.7
204.05545	0.5
205.06221	2.1
265.21680	0.6
275.20190	1.3
285.01877	3.0
293.21283	7.4
294.21741	0.5
309.18903	0.6
327.20007	18.7
328.20258	1.6
383.52496	0.6
414.07654	75.5
414.23065	13.5
415.07993	11.5
415.23404	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	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03437	1.2
58.83977	0.2
59.01382	100.0
60.01728	1.3
69.03485	0.3
69.34465	1.8
69.34873	0.4
70.09348	0.3
71.01386	8.7
71.01765	0.5
73.02947	3.0
78.95850	0.2
83.01378	1.2
85.02957	4.1
87.00912	0.3
89.02440	1.5
95.01408	0.7
96.96027	0.6
97.02976	0.4
98.20612	0.6
99.00890	1.0
101.02445	6.3
102.02828	0.3
104.81772	0.2
113.02455	3.8
115.00403	0.5
118.42477	0.3
119.03534	0.7
133.01456	0.7
143.03534	0.3
152.12009	0.2
159.03015	0.5
161.04567	3.1
185.02702	0.3
209.15451	1.6
236.71983	0.2
275.09302	0.3
297.07489	0.4
304.92593	0.3
353.19659	2.3
371.20724	9.4
372.21069	1.2
413.14642	0.4
413.22055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.99555	0.5
59.01384	100.0
59.85500	0.5
60.01721	1.2
61.98829	1.4
67.97292	0.4
69.03460	1.1
70.76441	0.9
71.01389	17.7
71.05030	0.5
72.99309	0.9
73.02951	14.5
83.01395	4.4
85.02963	3.3
89.02449	3.3
96.96010	2.8
97.06604	0.7
99.00928	0.8
101.02453	15.7
104.03523	0.6
105.03458	0.5
113.02449	7.0
115.00381	0.8
116.05043	0.5
119.03538	1.6
125.02460	1.0
131.03485	1.3
133.03012	3.8
134.03775	0.9
137.02518	0.9
137.09712	0.9
139.11349	0.6
143.03519	1.4
149.04605	1.3
153.87497	0.5
161.04570	3.7
177.01978	1.7
189.63416	0.6
200.00981	1.0
209.15541	2.0
275.09290	0.6
297.04138	0.6
297.17081	0.6
316.02209	1.1
335.18643	0.7
371.20709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65408	1.0
59.01380	2.3
68.90599	0.9
69.30232	7.4
73.54179	0.9
78.95900	6.5
96.95960	1.1
98.20662	2.4
152.99596	31.1
229.57071	1.0
239.31638	1.0
277.21729	100.0
278.22070	12.9
413.20966	10.0
414.21332	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	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63838	1.8
54.06127	1.9
59.01384	100.0
60.01717	2.3
61.98833	17.0
69.76648	11.4
71.01396	2.4
88.98812	11.2
95.95229	3.5
96.96013	19.2
110.00085	4.0
116.05155	2.2
135.04639	2.1
152.00073	2.0
154.54329	1.9
165.99117	2.4
167.10725	2.2
190.57742	2.5
211.13501	2.6
243.82294	2.1
261.14960	3.9
316.05997	3.8
357.79736	1.9
413.12543	3.2
413.25217	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	412.2859
Annotation	Metachromin S
Peak:m/z	Relative Intensity
51.75819	1.2
56.54674	1.1
56.65223	1.1
59.01372	1.7
71.60825	2.1
82.22133	1.2
88.14268	1.4
108.02178	1.2
112.35680	1.2
121.70916	1.3
123.04536	5.1
132.03023	3.0
139.03999	1.6
152.99611	1.9
154.75446	1.3
165.09219	7.9
165.12843	1.7
176.87210	1.3
188.49710	1.4
193.12335	1.9
207.13930	2.1
221.15428	1.6
235.17072	1.5
277.21774	2.9
278.22287	1.5
305.21182	27.3
306.21518	1.6
311.16800	1.7
394.27490	30.9
395.27618	6.9
412.28577	100.0
413.28870	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	413.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.1
69.27460	6.2
71.01384	3.5
72.99313	1.1
73.02925	1.4
78.95904	2.0
79.95737	8.8
80.96511	3.1
85.02966	1.4
86.48229	0.6
87.00927	0.8
89.02459	1.4
95.95245	1.4
96.96017	98.1
97.95984	0.7
98.20640	1.4
99.00898	1.1
101.02437	2.3
103.00381	9.0
113.02435	0.7
115.00413	1.1
119.03468	0.7
125.02477	0.8
149.02443	2.2
150.97002	0.8
152.98566	0.8
154.30832	0.6
164.04816	2.3
164.98628	2.8
179.07164	1.4
180.98119	2.2
223.06230	0.7
230.15114	0.7
238.98552	0.8
241.00270	3.1
256.99738	4.0
293.29639	0.7
297.09805	2.1
309.06506	1.7
320.25967	0.6
327.07562	100.0
328.07840	7.1
353.12390	3.3
369.08606	36.3
370.08984	3.7
395.06445	1.2
413.07581	21.5
413.13593	1.1
414.08044	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56313	5.0
59.01367	13.0
59.39536	5.1
61.98825	14.0
62.21210	6.2
64.73240	5.0
67.71216	5.9
69.59995	36.0
73.02954	8.6
78.95911	8.0
111.74570	5.3
160.84180	9.4
161.04549	16.0
162.83942	37.3
249.18555	100.0
250.18919	11.6
412.02490	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	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
64.62923	1.7
67.61862	2.2
67.86075	2.0
70.92976	3.8
70.93317	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	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50197	3.3
59.01383	100.0
59.53022	3.0
61.90234	3.0
70.92364	4.8
74.89220	3.0
79.56566	3.4
86.92975	3.2
117.02471	2.7
195.13503	2.8
202.33350	3.1
322.08728	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	412.195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.1
61.98833	100.0
70.38071	0.3
70.98769	0.4
71.01394	1.7
71.60794	0.6
78.95925	0.5
79.40369	0.4
79.95721	0.4
85.02980	0.5
88.77495	0.3
96.96003	2.2
97.06577	0.4
99.92570	0.4
101.02501	0.4
115.00398	0.7
120.01317	0.4
151.39296	0.3
211.13383	0.8
227.64987	0.3
229.14481	0.7
256.67603	0.3
295.18112	0.4
327.21738	3.6
371.13693	0.6
412.14093	0.5
412.19400	7.5
413.14981	0.7
413.20560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	37.5
61.76997	4.7
65.29796	4.8
69.88617	25.9
71.01384	29.4
71.01718	5.0
73.02959	9.1
75.00883	12.1
85.02934	8.0
89.02445	8.7
101.02476	9.3
103.97330	4.3
112.78217	4.4
113.02448	26.7
131.08273	26.6
163.42398	4.7
166.69926	4.4
203.32185	4.4
227.18143	4.8
245.19081	9.7
249.18616	100.0
250.18874	10.7
258.84241	4.3
261.18521	5.3
263.20120	18.4
264.75900	4.5
291.19693	24.1
303.19644	15.6
374.85742	4.9
411.32520	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	411.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63512	7.8
59.01373	18.6
61.98830	15.8
69.49527	57.0
71.01367	26.1
73.16399	7.0
78.95965	8.5
113.02489	10.9
131.08264	25.9
146.03706	7.4
148.86246	8.6
182.54941	7.4
249.18553	100.0
250.18967	15.7
291.19717	11.0
303.19940	11.1
360.57327	8.8
375.25323	17.6
421.67709	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	409.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17134	1.2
58.02977	1.8
58.92714	1.4
59.01395	7.5
61.02779	1.2
61.98821	2.3
62.66089	1.3
65.18162	1.7
70.02976	1.4
70.74809	1.7
70.75146	3.0
71.01370	4.4
71.02132	1.9
71.02509	28.0
72.00901	6.1
72.99284	1.7
73.04072	6.3
74.02475	29.7
76.66257	1.3
82.03033	1.4
83.02515	2.8
84.00877	2.9
85.04086	12.6
87.05647	25.0
91.05544	3.7
96.96010	10.7
96.97028	1.5
97.04070	2.8
99.05637	2.9
99.92606	1.5
109.13074	1.3
111.02002	18.7
113.03584	27.2
113.07204	5.3
115.00332	1.3
116.92892	8.6
118.05110	9.3
126.01958	3.0
128.04645	11.9
130.06223	5.5
131.04608	13.6
132.64510	1.3
133.01393	3.9
133.02885	1.3
135.04524	7.1
142.06189	11.9
143.04607	1.6
144.07788	27.0
146.06110	8.0
147.06285	1.5
147.10725	1.3
154.06169	2.5
158.06117	2.5
160.07664	4.7
163.08771	39.1
164.09132	1.5
170.09435	1.5
175.08762	2.3
179.03491	4.6
186.05528	2.1
199.08372	6.4
201.06750	3.2
203.08284	12.8
217.09787	6.6
220.10893	27.7
221.09261	4.6
221.11235	2.1
234.12450	10.4
234.98994	1.7
240.67099	1.4
246.12460	3.2
260.10342	9.1
260.13947	2.6
274.11926	5.1
278.11365	4.8
291.14618	7.7
292.97845	4.8
304.49899	1.7
304.97690	3.0
308.12506	15.6
317.12479	2.3
317.16037	1.7
335.13626	100.0
336.13953	10.8
337.01352	4.1
347.13492	4.6
365.00803	1.3
365.14618	57.3
366.14938	6.2
379.16220	12.2
408.99860	3.8
409.17279	41.9
410.17596	5.9
410.41086	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2364
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
59.01377	1.0
60.15171	0.3
62.46206	0.4
64.30026	0.4
68.85177	0.3
69.50271	0.3
70.35268	1.1
78.20447	0.4
78.67728	0.4
78.95910	69.2
80.66996	0.4
96.96973	5.6
116.92863	1.1
120.13219	0.3
150.98009	1.8
152.99596	100.0
153.99944	1.5
171.00607	2.9
209.80399	0.5
231.06902	0.4
255.23323	2.2
277.21692	2.0
325.18332	0.5
370.01196	0.4
370.37137	0.4
379.69058	0.4
409.23608	13.6
410.23770	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	407.2208
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
70.17824	1.0
70.18179	1.9
78.95909	100.0
81.86519	0.6
91.90803	0.5
96.96966	8.8
132.62436	0.5
150.97917	1.2
152.99597	93.3
153.99960	1.6
163.32147	0.5
171.00650	69.9
172.00916	0.9
175.91158	0.6
178.07651	0.5
270.36963	0.5
407.22266	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	407.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22262	0.7
59.01382	100.0
60.01716	1.1
61.98832	5.6
69.98287	3.5
71.01382	1.4
86.49951	0.6
89.14958	0.7
96.96026	1.9
97.43117	0.7
99.92615	1.0
101.02502	0.7
127.19304	0.6
130.08740	4.1
133.01480	1.1
148.50616	0.7
152.55702	0.6
228.62405	0.7
249.11075	3.2
286.90060	0.8
299.01303	0.6
322.20377	2.0
392.85925	0.7
407.18088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2593
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
54.62072	7.1
57.03452	100.0
58.81877	7.1
59.01389	68.0
61.98819	8.7
71.01375	8.2
71.60036	8.7
79.05511	13.4
81.27233	7.7
83.05037	80.2
85.02952	7.6
101.49854	7.4
107.05021	17.5
109.06612	44.1
121.06580	9.5
129.15387	7.0
135.04523	8.2
135.08141	20.9
149.09685	10.9
152.99574	10.7
201.12816	11.0
214.15334	8.4
247.56355	6.9
265.16010	15.3
276.78491	7.3
305.19232	9.5
319.93469	8.0
349.21625	86.4
350.22244	15.5
356.21411	34.1
357.21805	12.7
371.23865	23.5
389.24786	58.5
390.25024	9.9
407.26102	45.3
407.32361	6.7
408.26010	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	407.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96111	0.4
59.01383	5.4
71.01373	0.6
78.95922	3.6
82.39034	0.5
91.05559	0.4
101.83073	0.5
149.69427	0.4
152.99605	5.8
212.88644	0.6
217.15938	1.4
245.19147	2.9
263.16544	0.5
279.19513	0.8
289.25256	2.9
315.23184	1.3
333.24350	100.0
334.24680	13.3
407.27451	0.5
415.24792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43214	0.3
59.01395	2.0
62.96442	0.4
65.17547	0.4
70.09174	1.9
78.95905	100.0
96.96959	8.3
150.98015	1.7
152.99590	85.0
153.99965	1.9
171.00642	64.8
172.01010	0.9
313.44147	0.4
325.18500	0.6
407.22040	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2203
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
56.49138	0.7
59.01374	4.7
60.52579	0.6
61.98819	0.9
67.36810	0.7
71.02224	0.7
73.66126	0.6
78.95905	100.0
96.96952	8.4
150.98003	1.5
152.99588	88.8
153.99924	1.3
160.85999	0.7
171.00638	52.6
325.18448	1.8
385.35068	0.7
407.21960	6.3
408.22302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37974	1.0
58.02979	9.3
59.01093	1.9
59.01382	38.4
69.26464	5.6
69.26889	5.0
71.01385	23.4
72.99295	3.0
74.02474	16.4
75.02805	1.1
82.02988	3.0
85.02924	1.4
86.02477	8.6
87.00899	2.0
87.02825	1.3
87.05626	3.9
88.05913	1.0
89.02442	7.2
96.04536	1.2
96.96008	1.4
97.04051	1.3
97.93163	1.4
99.05648	13.0
99.88068	1.0
100.05968	3.3
101.02425	2.6
101.07201	2.4
102.05609	3.6
104.03536	1.4
109.04108	2.3
111.05639	1.7
111.19195	1.1
112.04063	1.9
114.93420	3.7
115.00379	52.3
119.03591	1.5
123.05650	1.5
123.82861	1.0
125.03542	2.1
127.05178	2.4
128.03551	32.7
129.03900	14.2
133.01440	100.0
133.06967	6.9
134.01775	3.2
134.03714	2.3
134.07262	2.4
135.04582	1.8
135.05641	3.2
136.01704	1.1
136.05920	2.1
141.06703	1.3
143.04626	49.3
144.04993	15.6
144.23158	1.0
145.05066	2.2
145.06155	2.6
146.04620	4.3
147.04758	1.3
150.03278	2.0
151.03984	3.1
153.06758	2.4
161.06050	1.3
165.05537	1.3
166.09917	1.8
167.01750	2.5
167.04619	2.1
167.08301	2.0
168.08609	1.7
170.03397	1.5
170.05788	1.1
171.04462	3.6
172.05376	5.9
173.06052	4.5
174.03235	6.7
175.03957	3.6
176.04785	1.2
179.04539	8.1
180.04926	4.9
180.06433	1.1
185.05763	1.7
187.03944	1.7
189.05577	3.3
192.99689	6.1
193.08099	1.0
196.05331	1.1
197.05750	1.6
198.05995	1.2
200.04781	2.6
201.09177	1.1
204.04260	1.5
210.08870	5.6
211.07466	2.1
211.09215	7.5
215.06914	1.3
216.04283	1.4
229.08676	21.4
230.09073	1.9
247.09784	16.8
254.07829	14.9
255.08209	16.8
256.08215	1.2
272.08871	15.9
273.07333	37.8
274.08093	3.8
277.12277	1.3
277.16916	1.2
278.12506	1.8
279.11893	1.2
287.10159	1.3
291.08640	2.1
308.07413	4.2
309.07706	6.2
310.07516	1.2
327.01810	4.6
389.15704	4.9
390.15662	1.5
406.97635	1.5
407.16763	29.5
408.16611	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	406.1983
Annotation	Glu-Ile-Phe
Peak:m/z	Relative Intensity
56.78788	0.9
58.02983	20.7
59.01379	10.7
61.98823	4.9
63.36547	1.0
67.51675	1.0
69.59908	1.8
69.60309	4.8
71.01375	6.0
72.00925	9.9
73.04078	11.8
81.20695	0.9
82.06610	1.3
85.02944	1.2
86.02467	1.0
89.02402	2.0
91.05547	7.2
95.09898	1.1
96.96026	2.1
97.04061	2.5
98.02474	6.5
101.02453	1.8
108.08172	1.6
112.07716	1.7
113.02458	1.4
115.00349	4.6
115.05129	7.5
116.00753	1.0
116.03530	1.4
118.06602	2.9
120.01262	2.8
126.09201	1.7
129.10347	20.8
130.67691	1.0
133.01448	7.1
133.52032	1.1
134.01776	1.4
135.04485	2.2
139.08864	1.1
140.07164	2.5
141.10318	3.9
143.11908	1.7
145.06110	1.4
147.04527	37.0
148.04865	1.5
151.00298	1.1
151.08774	2.9
152.07195	11.9
153.07579	1.1
155.08279	2.7
164.07170	77.8
165.07466	4.0
168.11429	27.8
169.09770	3.3
169.11755	1.5
179.12044	1.3
182.08235	12.4
186.12479	61.6
187.12903	2.8
210.10568	2.3
210.12471	37.0
211.10867	3.1
211.12738	2.0
215.08189	1.3
223.10962	5.2
226.15451	1.2
228.13564	4.8
233.16588	19.6
234.16957	1.2
241.11958	4.4
259.14395	2.1
277.15631	9.7
290.07529	1.3
290.18747	15.5
291.08902	1.2
302.18735	1.6
332.19791	8.4
346.17773	1.4
376.18777	100.0
377.19031	11.9
381.59177	1.2
388.18805	15.6
389.19202	2.2
406.19812	88.9
407.20029	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	406.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.2
61.98832	100.0
70.93671	2.7
71.01391	7.9
72.99326	1.2
74.02475	1.5
96.96004	4.6
115.00372	6.1
128.03499	1.4
133.01498	5.8
134.03728	3.1
135.04520	3.3
145.06166	1.5
165.01859	1.2
178.02721	8.6
179.03490	4.4
242.08064	1.8
247.09828	1.6
290.08099	2.1
345.17014	2.5
350.52402	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	9.7
59.01370	4.2
61.98832	1.8
74.02476	1.3
78.95899	3.6
79.95762	1.4
82.02966	1.6
83.06151	3.3
84.04535	6.2
95.64705	1.0
96.96052	1.3
98.19835	1.8
101.07207	7.7
109.04084	6.8
119.68156	0.9
120.93822	1.0
124.00801	1.2
125.03567	2.7
125.07206	3.7
127.05147	50.2
128.03545	9.8
128.05486	1.5
145.06194	46.4
146.06578	2.1
152.99564	4.6
153.78703	1.1
228.35657	1.2
343.27502	9.0
344.27457	1.1
361.28262	1.6
387.26361	7.2
405.27481	100.0
406.22751	2.1
406.27826	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	406.1874
Annotation	Ligularidine
Peak:m/z	Relative Intensity
57.03435	2.1
57.97549	0.7
59.01398	3.0
61.98831	1.8
68.99809	5.2
71.01390	4.2
71.05029	0.7
72.99315	0.9
74.02481	0.6
82.02986	1.2
83.00137	3.6
83.05037	0.9
85.02914	0.6
86.02495	1.7
89.02430	0.7
92.05070	1.5
94.03001	0.7
96.96030	0.8
96.99317	1.6
98.20714	1.5
99.00875	6.0
107.93663	0.6
108.04554	1.8
109.01703	4.5
110.02487	0.9
110.06128	1.2
112.00420	1.2
113.01225	3.4
114.01976	2.3
115.00391	5.3
124.00412	1.3
128.03517	0.7
133.01431	10.9
135.08183	0.7
136.04045	1.5
137.09718	0.8
159.04420	0.8
171.10262	10.5
171.64064	0.7
172.05243	0.7
174.03197	1.2
175.03853	0.8
176.04596	0.6
178.05093	0.9
187.11020	0.6
190.05132	5.0
201.09250	0.8
203.07076	1.1
203.10858	0.8
204.06702	2.0
209.11749	1.0
229.08659	1.9
233.15547	1.0
239.13245	0.8
242.15294	0.7
243.12575	0.8
244.09740	0.7
244.12666	0.9
247.09781	2.5
250.07086	1.2
253.09299	0.8
254.15440	1.4
256.13455	0.9
260.12811	0.8
272.16479	0.9
287.08795	0.9
288.12415	1.0
290.11401	0.7
290.17648	1.4
291.05518	1.1
291.08569	3.2
292.12381	0.6
300.16037	3.1
318.17117	4.7
322.11816	0.7
328.15656	2.5
346.16574	13.0
347.16873	0.9
406.18713	100.0
407.18982	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25909	0.6
56.52457	0.6
57.03442	1.7
57.70794	0.6
59.01383	43.0
60.01723	0.8
61.98824	2.7
68.99838	0.6
71.01381	7.1
71.05000	1.1
71.60404	0.8
71.60827	1.0
72.99331	0.7
73.02946	3.5
85.02946	1.7
87.00907	0.7
87.04512	1.3
89.02451	1.7
89.50418	0.7
97.06548	1.2
99.00912	1.0
101.02467	3.8
108.84100	0.8
113.02442	1.6
115.00382	6.5
118.06647	0.8
119.03448	0.9
119.83459	0.7
127.05132	1.7
130.08745	3.1
133.01437	12.0
134.03746	1.9
134.18909	0.8
137.09738	0.7
139.11295	19.7
140.11632	1.1
145.06163	1.3
149.06126	1.0
159.04514	1.4
162.05585	0.9
163.11334	1.3
165.05531	0.9
165.09167	1.0
172.05252	1.0
174.03259	1.9
181.12360	12.6
182.12685	0.8
183.10266	25.9
184.10599	1.9
186.70294	0.9
187.09715	2.5
187.13509	0.7
193.04993	1.1
194.71432	0.6
199.13405	7.0
200.18079	0.7
201.09210	3.2
207.10138	1.0
214.08716	0.8
225.11282	9.5
236.21202	0.7
240.59317	0.7
243.12373	100.0
244.12740	7.7
245.08139	3.2
257.08783	1.0
285.13458	17.2
286.13712	1.8
289.07217	4.9
289.16666	2.0
315.14429	2.4
345.15518	16.5
346.16177	2.6
388.18854	2.4
405.12369	1.4
405.17145	7.1
405.25281	7.5
406.18698	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	405.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98829	31.4
65.28677	18.0
67.38576	16.6
71.60701	26.4
93.28828	15.5
113.56548	17.4
126.84383	17.0
133.17046	20.2
152.99623	36.3
208.47415	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59735	1.7
57.03467	1.9
57.36649	1.6
59.01382	34.8
61.98818	1.9
70.03480	7.4
71.01382	14.7
73.02956	5.2
73.03347	1.6
75.10674	1.5
79.95734	7.2
80.96532	4.1
85.02937	3.8
87.00880	2.5
89.02445	4.0
91.33572	1.6
96.96015	100.0
98.19862	2.4
100.95673	1.5
101.02448	7.4
102.57177	1.5
111.04576	2.2
113.02440	3.4
113.11816	1.7
115.00386	6.1
119.03505	3.8
133.01416	6.6
139.11345	2.1
155.03485	2.5
164.98640	4.5
170.04567	2.2
174.03178	2.7
183.10316	3.3
223.90224	1.8
225.11444	2.2
243.12434	9.7
245.08154	2.5
253.07301	1.8
289.07260	2.5
290.10397	2.9
292.17105	1.9
325.14313	3.6
329.11365	2.0
343.15540	3.0
345.06735	2.0
363.07523	51.6
364.07788	6.4
405.08640	36.6
405.16971	5.3
405.20895	4.4
405.25153	5.5
406.09171	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	405.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.6
61.98835	0.5
71.01385	4.4
71.59747	0.5
71.60120	0.7
72.99338	0.6
73.02941	1.0
74.02457	0.6
79.95741	6.7
80.96516	3.6
85.02963	2.2
87.00883	0.7
89.02451	1.5
90.66912	0.6
96.96014	100.0
97.95960	0.7
101.02441	1.7
113.02435	0.9
115.00380	3.4
133.01437	6.4
138.97070	0.6
143.03506	0.6
143.04587	0.7
152.98602	0.6
164.98640	3.3
169.08676	0.9
180.98186	1.5
213.09102	0.8
241.00259	2.5
271.05997	1.1
289.07230	0.8
345.06543	1.9
363.07541	56.9
364.07803	5.9
405.08594	39.2
405.17075	1.3
406.08951	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	405.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70539	8.8
55.44765	8.6
57.03421	11.4
59.01386	100.0
61.98816	28.5
69.73856	9.1
71.01388	54.7
71.60808	14.7
72.99297	11.8
73.45749	10.1
74.73842	9.5
78.31872	10.0
79.95752	11.9
82.33382	8.6
85.02935	10.1
89.02445	14.8
96.95992	44.4
101.02453	28.0
101.90633	8.5
115.00391	18.9
115.35608	8.9
120.01266	93.8
133.01433	12.6
134.03722	14.1
135.04553	16.8
145.06148	12.1
152.76256	8.7
170.22520	9.8
229.08521	11.8
245.08286	20.1
289.10492	10.6
319.19351	19.7
405.11591	12.2
405.16354	21.5
405.20929	23.6
406.22617	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	405.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.64746	0.4
57.03468	0.5
57.97567	2.2
58.02969	0.9
59.01383	8.7
61.98825	1.3
62.41883	0.4
69.30981	3.6
71.01386	21.0
72.00922	0.8
72.01734	0.5
72.61234	0.4
72.99309	3.8
73.04066	1.2
74.02444	0.6
85.02962	1.0
85.06605	0.5
87.00876	0.9
89.02448	6.8
93.69802	0.4
95.01445	0.4
96.96028	4.8
98.02450	0.5
98.95596	5.2
98.96374	0.7
99.00935	0.4
99.05616	0.4
101.01791	0.9
101.02450	3.0
113.02451	1.8
115.00378	42.6
115.05128	0.5
116.00718	1.1
116.05106	0.5
119.03533	2.2
120.01208	0.5
129.10335	2.1
133.01439	100.0
134.01767	2.6
135.04504	1.1
145.06190	0.4
147.04524	2.5
152.07106	0.8
159.04556	0.4
160.05334	0.6
164.07159	5.3
168.11395	2.0
172.05278	0.6
179.03502	0.9
181.15985	3.2
182.08220	0.7
183.04680	0.5
183.08165	0.8
186.12497	3.7
199.07648	0.8
201.09206	4.4
206.84865	0.4
210.12523	2.2
213.09218	1.1
223.11000	0.5
225.14966	6.1
227.07191	1.1
229.15717	0.4
231.04417	0.8
233.16588	1.5
241.29459	0.4
245.08171	2.8
271.06146	1.7
289.07217	11.0
289.10416	0.6
290.07877	0.5
290.18631	1.1
325.14609	0.5
332.19675	0.5
376.18738	8.1
387.19641	0.5
388.18942	1.4
405.21359	14.2
406.19815	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	404.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51342	0.4
57.04215	0.4
60.42655	0.4
61.98835	100.0
70.33261	0.8
70.33658	0.8
78.95942	0.4
87.00892	1.8
110.03599	0.4
119.94736	1.1
136.98581	0.9
138.11716	0.5
140.33820	0.4
146.96655	0.6
175.96921	0.5
195.05186	0.8
228.92950	1.1
228.97435	1.0
243.03061	0.5
302.90921	1.0
325.94470	0.4
345.84653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85217	1.1
53.94748	1.2
58.02975	11.5
60.92089	1.4
61.98840	1.4
66.03429	1.2
70.02974	2.3
71.27580	2.3
72.00912	1.4
74.02478	22.4
82.02991	2.1
86.02488	9.6
86.99124	2.1
87.05630	6.8
88.04049	1.3
90.00206	3.8
90.87041	1.1
97.04092	2.8
99.05643	24.1
101.07217	3.8
102.05607	2.6
109.04068	2.8
109.07667	2.0
111.05640	2.0
112.04037	2.6
113.03605	1.6
116.01781	2.1
123.05637	1.9
127.05158	3.9
128.03548	60.4
129.03979	1.5
135.05659	4.8
137.07208	2.0
141.06725	6.2
143.04631	83.5
144.04926	1.8
145.06171	2.3
146.04565	6.8
153.06697	5.6
160.00755	22.9
166.09840	3.0
167.04585	6.3
167.08266	3.0
177.03415	7.6
178.08752	3.0
179.04623	16.9
185.05637	3.0
193.58061	1.2
197.05779	3.1
210.08902	13.7
242.07773	2.8
254.07841	25.2
272.08899	33.5
273.09314	2.8
288.06516	11.9
289.06976	1.3
306.07672	100.0
307.07980	8.6
325.65985	1.3
382.27579	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1975
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01876	1.3
57.03450	6.1
58.00600	5.8
59.01383	100.0
60.01706	2.2
61.98822	1.1
71.01386	67.5
72.99317	4.8
73.02946	2.3
83.01382	3.2
85.02953	11.6
87.00873	2.9
89.02451	80.5
90.02802	1.5
95.01384	4.0
96.51768	0.9
101.02449	37.3
109.06596	17.3
113.02462	24.9
113.06099	1.6
115.00379	1.2
119.03513	36.4
120.03812	1.1
123.08115	1.0
130.27975	0.9
131.03520	2.5
133.01469	2.1
133.10255	8.9
135.42297	0.9
143.03505	7.1
143.04535	1.6
149.04524	3.4
151.11316	8.6
153.09251	2.3
155.10812	1.4
156.58405	1.0
161.04619	6.7
161.05841	1.3
161.13361	2.6
163.11252	2.1
179.03455	1.1
179.03998	1.5
179.05640	20.1
179.14389	3.5
181.12399	1.5
189.16245	0.9
219.35335	1.0
223.13399	90.7
224.13649	7.2
227.08138	1.2
241.10684	1.4
283.10855	2.9
308.07022	0.9
309.08722	1.3
327.09940	2.9
371.08725	1.3
393.35318	1.1
403.11594	6.3
403.19708	38.0
404.20160	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	404.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.1
61.98525	4.1
61.98834	51.9
70.17114	14.5
70.17485	4.5
71.01381	13.0
74.02474	8.2
74.99099	34.1
78.95911	5.6
79.95737	5.3
85.02952	11.4
87.30240	3.2
89.02437	4.3
95.95238	35.8
96.96015	69.4
98.20546	4.7
99.05647	4.2
104.03537	3.8
115.00368	11.9
122.06173	3.4
128.03516	14.4
133.01393	9.0
133.02931	21.1
135.04530	6.7
143.04620	16.6
146.04582	4.5
161.02449	100.0
162.02711	4.0
172.31633	3.1
175.02502	5.1
179.03448	19.6
191.02017	6.3
195.03244	3.7
209.03026	4.7
210.08818	3.1
213.09229	12.0
213.71254	3.1
230.45982	3.4
254.07877	7.2
254.67621	3.1
272.08817	7.1
306.07617	19.3
341.08731	50.5
342.08990	5.1
404.03241	38.0
404.15286	4.6
404.22302	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	403.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44538	0.4
59.01382	100.0
59.28321	0.5
60.01727	1.5
61.98825	1.8
70.35027	0.8
70.35394	1.6
71.01395	1.7
73.02981	0.5
75.40276	0.5
78.52853	0.5
89.02486	0.7
91.04041	0.9
96.96011	1.9
98.95611	0.7
116.05050	0.5
121.41878	0.5
145.06238	0.7
148.20146	0.4
169.89694	0.5
211.13435	1.4
229.14606	0.8
329.23248	3.4
359.66800	0.7
380.66653	0.6
387.25189	0.6
403.26324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.6
59.01383	37.5
60.25275	1.7
61.98818	4.7
69.80987	1.6
70.70373	5.9
71.01389	21.5
72.99314	18.0
73.02950	9.2
74.44696	1.6
74.55662	2.0
75.00879	27.6
83.01407	2.1
83.05024	2.3
85.02956	12.6
87.00897	5.6
87.03002	1.8
89.02477	4.4
95.95203	1.9
96.96021	11.9
98.95576	2.3
99.00885	2.6
101.02451	8.0
104.27312	1.8
109.02960	5.4
111.04469	1.9
112.88221	2.0
113.02443	3.6
114.99793	1.6
115.00394	16.6
119.03521	3.0
133.01413	5.0
135.02997	5.9
139.11217	1.7
155.10677	1.9
165.09120	1.8
167.10760	3.7
169.12366	12.3
171.10265	16.3
175.02452	13.4
183.10243	1.9
184.18219	2.1
185.11832	2.2
187.16554	1.8
193.12326	3.3
195.13893	22.2
197.11835	64.3
198.12151	4.3
209.11847	2.7
211.13359	9.5
221.11761	4.4
223.13391	5.6
225.11295	3.4
235.13367	5.2
239.12891	19.5
241.10817	4.3
241.14403	7.4
251.12622	1.9
253.14297	4.4
263.12500	1.8
267.12256	4.4
269.14050	2.2
281.10281	3.6
283.11874	42.6
284.12238	3.2
285.13461	100.0
286.13821	9.6
287.18515	4.0
307.11646	3.7
315.14450	9.8
325.12875	8.5
343.14050	10.9
345.19095	9.9
403.19131	8.9
403.24237	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01383	100.0
60.01716	1.1
61.98822	1.1
69.76366	2.9
69.76772	1.7
71.01390	2.8
73.87119	0.9
85.02945	5.1
89.02449	1.3
96.96024	3.1
104.68542	0.8
113.02464	1.0
122.50190	0.8
146.03748	19.6
147.04195	1.0
161.06073	5.1
164.04787	14.3
173.76631	0.8
179.07135	65.0
180.07512	2.3
185.90340	0.9
191.02014	2.2
209.02997	2.8
237.18903	0.8
239.09241	2.6
281.09412	1.3
288.09476	0.8
315.07559	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	402.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	95.9
69.39627	58.8
71.50092	100.0
71.68999	64.5
73.79352	77.5
78.19619	66.1
85.38872	76.3
100.91570	78.4
105.62620	68.7
122.89234	65.0
403.26581	86.8
418.87445	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46491	0.9
56.36972	0.9
59.01372	1.6
61.31414	0.8
61.98841	10.6
68.01399	1.0
68.99812	10.4
71.01384	1.3
71.59306	1.7
78.95911	58.8
80.18893	0.9
85.02968	4.3
92.37138	1.0
96.96972	68.6
96.99334	9.1
99.00909	6.1
112.91636	0.9
114.01983	17.3
116.05035	1.0
124.00391	1.1
125.03578	1.7
126.01944	4.2
128.03528	1.0
132.03285	1.8
133.01384	1.2
133.04033	1.5
133.29083	0.9
138.01965	1.2
146.04839	2.6
146.06085	1.5
147.03152	1.1
147.05647	32.2
148.05988	1.9
156.03043	14.0
159.05638	18.4
160.05968	0.9
161.02470	1.2
161.07216	5.1
171.05641	1.6
173.07187	5.7
174.04152	7.2
187.05096	8.1
189.06685	10.0
191.02007	1.7
199.05060	1.2
201.06676	7.2
205.06166	1.4
215.04713	1.2
217.06180	13.4
218.04665	4.7
218.06487	1.1
221.22913	1.0
243.07571	1.0
245.05675	52.4
246.05861	4.5
250.32715	0.9
254.00722	6.9
255.01213	1.0
263.06741	3.3
287.06757	3.6
289.60132	1.1
305.07813	100.0
306.08200	8.8
323.08798	8.8
324.09100	1.4
385.04431	6.5
403.00082	2.1
403.05475	42.8
404.05777	4.2
420.25699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0878
Annotation	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
53.80696	0.4
59.31931	0.5
70.17880	1.2
70.18293	1.0
78.75343	0.4
121.02962	100.0
122.03287	4.6
146.20840	0.4
153.99248	0.4
180.05792	1.0
181.06593	7.5
186.27997	0.4
209.04552	0.8
225.05556	7.3
225.98788	0.4
226.05966	0.7
313.07175	27.5
314.07401	2.8
357.06122	9.6
358.06433	1.0
401.08771	28.8
402.09207	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	401.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42351	0.5
57.97564	1.5
59.01383	4.1
61.98829	1.3
71.01379	2.9
71.60217	1.0
73.02924	0.9
75.00863	0.6
79.95736	1.9
80.96514	0.9
85.02937	1.3
89.02442	0.8
95.95236	1.6
96.96018	46.9
98.95596	1.4
99.00834	0.7
101.02444	0.9
102.44669	0.6
108.04563	0.7
115.00368	0.7
116.05064	0.9
128.93219	0.6
134.03749	0.9
152.11150	0.6
160.03998	0.8
165.00375	0.6
188.03590	1.3
198.04272	1.2
203.03271	0.6
203.08115	0.6
209.07214	1.0
210.05730	0.7
210.09267	0.9
211.05092	1.0
212.07430	5.3
213.03017	0.6
213.06854	0.8
224.07391	0.7
225.06711	1.6
226.03804	5.6
226.07222	0.7
227.04289	0.8
227.08315	2.7
237.06824	0.6
238.08803	0.8
239.04623	3.6
239.08310	2.1
240.05037	5.4
241.02492	0.8
241.06117	5.2
242.06534	0.6
249.06714	0.6
251.08151	1.7
253.06235	2.4
253.09889	1.1
254.06937	2.4
255.07761	10.0
256.08286	1.5
265.06332	1.3
265.09781	1.5
266.08084	1.8
267.04123	13.2
267.07724	6.4
268.04672	1.3
268.08411	1.5
277.06265	1.0
278.07010	0.9
279.07788	1.1
280.04987	1.7
281.05618	2.1
281.09323	6.4
282.02991	1.6
282.06482	4.0
282.09500	0.9
283.07220	7.8
285.16827	0.7
291.07779	1.6
293.05630	1.9
293.09113	1.3
294.06116	2.8
295.07153	7.5
296.07672	1.1
299.06763	1.6
308.08057	1.2
309.08829	12.6
310.09222	1.4
313.08194	0.7
315.09918	4.7
325.08279	1.1
326.09860	1.0
327.10031	1.2
327.21732	1.1
337.08292	7.8
338.08502	0.7
341.11435	2.1
344.10229	1.6
369.10934	28.9
370.11368	4.4
378.63150	0.6
401.13547	100.0
402.13879	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98819	2.3
71.01393	1.8
71.27497	1.2
71.60326	1.8
93.03468	1.5
96.96022	6.1
105.01827	1.2
108.35764	1.2
108.74959	1.4
110.00112	1.3
110.93575	1.4
121.02979	1.9
179.07089	2.7
191.03404	1.7
207.06641	1.6
215.03400	1.7
234.05267	9.0
265.18036	6.7
277.88275	1.5
313.03751	1.2
329.02963	1.4
341.02704	2.3
384.08597	9.9
385.08704	1.7
399.10822	23.9
399.16318	2.2
400.11084	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	399.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98841	1.8
65.33422	1.1
71.30744	1.3
71.31076	2.4
75.73158	1.1
87.48268	1.3
96.95982	1.8
121.58746	1.2
173.08299	1.3
184.96338	1.4
229.15915	1.3
247.17085	2.6
265.18149	1.4
399.10724	1.3
399.16861	2.0
399.22052	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86112	0.6
57.03451	1.4
58.00602	1.1
59.01384	6.7
59.97170	0.5
61.98841	0.9
69.03466	0.8
71.01387	28.8
71.05035	4.1
71.59969	0.7
73.02949	1.7
73.22887	0.6
74.02479	0.8
74.64525	0.6
79.95702	0.9
81.03463	1.0
83.01399	0.7
83.05029	3.1
85.02957	3.6
87.04517	4.0
89.02431	1.1
93.32009	0.6
95.05024	1.9
96.96014	7.5
97.06602	1.0
101.02425	0.8
101.06094	9.8
107.05018	1.5
109.06621	1.5
111.04528	0.7
113.02460	3.8
113.06108	1.5
115.00375	12.0
120.01240	1.7
127.07690	0.7
133.01424	2.8
135.08154	1.5
137.06155	0.6
137.09705	1.4
139.11256	0.6
149.09732	3.7
153.09227	2.1
163.07584	0.9
163.11319	0.9
167.10802	1.1
179.07166	1.3
181.08694	15.9
181.10249	1.1
182.08952	0.6
195.10269	8.5
197.08176	3.2
203.14323	1.1
211.09813	5.3
230.47327	0.7
240.99997	0.6
265.14389	4.6
283.15512	100.0
284.15900	10.9
285.04034	0.9
296.56628	0.6
325.20441	0.9
326.15222	0.7
336.92313	0.6
363.56955	0.7
399.13208	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	1.9
59.01385	9.3
61.98826	1.8
62.24602	0.6
66.13425	0.6
69.03454	1.3
69.29452	0.6
70.80791	1.5
71.01388	27.7
71.05027	5.7
72.99303	1.2
73.02943	1.9
78.95924	0.9
83.05029	4.4
85.02960	1.2
87.00864	0.7
89.02448	0.9
95.05029	1.8
96.95998	2.7
99.04501	0.9
101.02471	1.2
101.06087	12.0
107.05028	0.8
111.04523	0.7
113.02454	1.2
113.06078	1.5
115.00385	10.5
116.05015	0.8
124.05373	0.8
128.03616	0.7
133.01443	3.2
135.04509	1.2
135.08180	2.0
137.09721	1.4
149.09708	5.8
153.09235	1.4
154.47720	0.7
163.07611	1.5
167.10747	0.9
169.01448	0.9
179.03532	0.8
179.07162	0.7
181.08705	19.7
182.09061	1.3
193.08736	1.4
196.64536	0.7
197.08217	1.3
203.07242	0.5
203.14381	0.8
211.09782	7.9
253.18527	0.7
265.14429	1.4
271.13846	0.7
272.86365	0.8
283.15521	100.0
284.15869	8.8
325.20248	0.8
357.12454	0.9
374.09619	0.7
400.17398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91716	0.5
59.01384	100.0
60.01729	0.9
61.98834	1.5
63.68661	0.5
71.01382	4.3
71.59805	0.5
71.60168	0.6
72.99336	0.4
73.02979	0.6
73.41573	0.5
74.02500	1.7
79.77917	0.6
79.95760	1.0
83.01417	0.5
83.05037	1.9
85.02994	1.2
87.00893	0.6
96.96019	10.9
101.02451	0.8
105.25999	0.5
111.00876	0.6
113.02486	1.2
115.00376	2.1
116.08354	0.6
123.08224	0.5
128.03670	0.5
133.01465	0.7
145.05087	0.7
161.02466	1.7
161.04539	0.5
195.10219	0.5
196.67178	0.5
199.13377	1.0
221.15738	0.6
237.15065	1.4
241.00253	0.8
263.08099	0.5
265.14532	1.4
283.15784	2.8
307.55167	0.5
335.16180	1.3
356.15417	1.0
357.08652	0.8
399.13239	7.0
399.68314	1.6
400.13873	1.1
419.77631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
64.23847	1.6
68.36021	1.6
69.51032	7.0
69.51457	5.7
71.01394	2.1
96.96010	4.6
116.05054	2.3
123.83196	1.8
127.05136	1.8
195.13777	3.4
305.21194	5.4
355.16531	2.9
397.11670	2.9
397.26025	10.7
398.26636	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	397.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.5
61.98826	2.2
66.21911	1.2
70.21465	4.6
71.01383	1.2
88.12241	1.1
89.02460	1.3
117.00936	1.1
131.82196	1.3
165.09212	1.8
165.12926	1.8
172.51208	1.2
185.47908	1.2
189.12857	1.3
210.86987	1.5
212.64253	1.2
223.43144	1.2
225.02718	1.2
253.68144	1.1
261.22116	4.9
266.93811	1.1
305.21225	100.0
306.21600	14.3
309.77417	1.2
314.34357	1.1
323.22281	15.6
324.22443	2.4
345.05359	1.3
397.23895	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	397.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09247	3.9
59.01374	5.3
61.98819	5.5
79.61398	3.0
79.95325	2.9
79.95730	16.3
81.34309	2.9
82.07370	2.9
87.51701	3.1
89.02463	3.5
89.73697	2.7
95.35680	3.1
95.95237	3.8
96.96016	85.7
122.97573	4.5
128.93155	3.3
147.83066	3.3
149.30571	3.0
150.30138	3.4
178.87074	3.0
183.01062	3.0
221.12271	3.2
279.23187	4.5
281.75012	3.4
299.26300	3.9
306.34827	3.3
397.22653	100.0
398.22949	10.5
402.59067	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.9
61.98833	100.0
70.01009	5.2
70.01419	6.1
71.01386	5.0
79.95732	4.0
85.02951	4.8
95.95210	2.4
96.96016	37.1
98.20587	2.9
98.95616	2.7
102.91245	2.9
104.41709	1.9
126.78622	2.2
135.03108	2.3
135.04446	3.2
152.07187	2.4
225.23489	2.2
231.79008	2.5
238.10765	3.4
313.77176	2.0
399.13339	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.9
57.03449	3.5
58.00576	3.7
59.01387	95.6
60.67983	2.8
64.50080	3.0
69.03452	7.6
71.01387	100.0
71.60700	4.1
72.99309	8.9
73.02936	17.9
74.02490	2.9
81.03466	5.4
83.01393	12.3
85.02966	22.0
86.10139	2.9
87.00873	22.2
89.02457	75.6
91.03998	4.0
95.01399	7.3
97.02946	23.0
99.00919	6.0
101.02450	84.0
102.02767	3.3
104.03628	2.9
113.02461	31.3
118.64544	2.7
119.03487	28.1
124.01742	2.8
125.02438	23.9
128.00089	3.2
133.05090	4.6
139.03990	5.0
141.01968	3.3
143.03516	11.1
147.20094	3.0
149.04642	2.5
161.04588	13.1
179.05655	3.3
217.07109	3.8
221.06532	4.7
235.08234	19.1
253.09222	3.5
287.07925	3.9
373.55368	3.2
386.05643	3.1
397.08289	4.1
397.13550	81.0
397.23727	3.5
398.13931	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	397.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89241	1.7
55.01876	4.8
57.03445	3.7
58.00595	4.5
59.01384	96.7
60.01703	1.7
61.98838	6.1
66.13044	1.6
68.99809	2.3
69.03448	4.9
69.49946	11.7
71.01387	100.0
72.01727	1.9
72.99316	10.0
73.02957	18.9
75.00869	2.8
80.05511	1.5
81.03455	4.4
83.01410	11.3
85.02956	22.8
87.00877	21.2
89.02452	76.0
95.01389	8.1
96.96027	1.9
97.02947	17.4
98.20552	4.0
99.00856	4.9
101.02450	81.0
103.04019	3.5
109.02985	3.3
111.04510	4.1
113.02444	35.9
119.03526	23.0
125.02441	22.3
131.03511	4.8
133.05060	7.1
139.04099	2.1
143.03502	10.6
149.04535	2.2
161.04567	22.7
167.03381	2.4
169.05005	2.7
179.05634	6.5
192.96384	1.8
216.64201	1.7
217.07217	3.3
217.84637	2.2
221.06630	3.8
235.08237	24.7
235.42303	1.8
263.07724	3.2
277.09268	2.5
281.17746	2.9
379.12039	2.6
397.13528	88.3
397.24356	4.1
398.13867	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	397.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70008	2.2
55.01877	6.3
57.03466	4.9
58.00592	4.2
59.01385	100.0
59.34321	1.9
68.99817	2.7
69.03467	9.5
71.01388	94.6
71.60532	3.2
72.99309	6.9
73.02950	20.6
80.58253	1.9
83.01379	12.0
85.02952	24.4
86.00087	3.3
87.00873	21.6
89.02448	75.1
95.01418	2.9
97.02955	16.7
99.00871	4.4
101.01781	4.4
101.02451	72.5
107.31263	2.1
109.03008	2.3
111.04520	3.3
113.02454	30.5
113.03166	4.1
119.03509	25.6
121.03027	2.6
125.02448	25.4
131.03500	4.8
133.05107	3.2
137.02441	2.4
139.04034	5.7
143.03522	8.2
161.04584	18.4
171.83401	2.9
179.05583	5.7
199.06139	2.8
221.06714	4.0
235.08209	22.1
245.06660	4.3
277.09125	2.5
361.11377	3.5
397.13541	78.1
398.13715	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	395.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	24.8
70.48051	1.0
70.48415	1.0
71.01384	11.0
72.01705	0.6
72.99309	1.7
89.02459	1.7
95.52447	0.5
115.00375	35.6
116.00758	0.9
117.92816	0.5
133.01436	100.0
134.01768	2.4
134.03764	2.1
135.04530	26.5
136.04845	1.0
161.02457	1.4
179.03503	28.0
180.03879	1.7
215.95488	1.4
216.99098	2.9
233.96773	0.6
235.06155	0.7
259.19855	0.5
279.98685	4.0
295.04620	2.1
333.00226	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59437	1.1
59.01381	1.2
71.60656	1.1
79.95724	1.6
94.34536	1.1
96.96027	11.7
99.92588	52.8
100.92580	4.0
115.92096	10.2
116.92094	1.7
116.92844	9.2
118.89980	100.0
119.90001	5.9
130.09064	1.2
134.89442	5.7
135.04459	0.9
135.89313	1.4
135.90269	16.0
141.93600	1.3
150.88959	6.6
171.48332	1.0
195.77870	1.1
200.07036	1.0
257.81503	1.0
277.21628	1.6
360.14056	11.2
361.14142	2.1
396.11664	40.4
396.16046	1.4
397.11914	8.3
397.22635	14.5
414.73532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04128	0.4
57.12049	0.4
59.01379	1.0
61.98819	0.7
71.01392	1.2
71.15423	1.0
75.00892	0.6
78.95919	1.1
90.53464	0.4
97.20277	0.4
100.98174	0.4
116.92812	0.9
121.65208	0.4
135.02954	1.6
152.99606	1.0
259.20718	0.6
277.21732	100.0
278.22101	11.0
278.24564	0.3
297.49478	0.4
311.16995	0.5
314.44839	0.4
395.24323	1.3
396.25092	0.5
407.00900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93793	2.0
59.01381	5.6
60.99311	16.4
69.70783	13.6
70.01422	1.9
71.01391	4.4
76.68468	2.1
86.01125	2.2
87.00815	2.8
88.98815	100.0
89.02460	8.3
115.00364	4.3
116.05068	4.9
133.01453	4.0
155.01877	2.1
182.45068	1.8
364.69135	2.5
389.53043	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	394.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.9
60.40810	0.3
61.98834	100.0
77.20589	0.4
258.15796	0.4
296.10251	0.5
331.84311	0.4
394.18726	1.9
394.23221	0.4
395.19012	0.4
410.63013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.9708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19362	0.3
57.97550	0.3
59.01365	1.4
67.12811	0.3
71.01388	1.0
71.60008	0.5
72.99297	0.6
84.93845	0.5
89.02444	0.5
96.96014	2.4
98.95602	3.9
98.96446	0.8
99.92591	43.6
100.92603	3.2
100.93371	2.3
105.03524	0.4
112.04042	0.4
112.98785	0.5
115.00375	2.0
115.92086	35.1
116.92867	100.0
117.92895	7.4
117.93658	0.5
118.92662	0.7
124.93359	0.5
125.94193	0.6
126.94946	1.0
131.91592	0.5
133.01448	3.2
133.02971	1.5
134.03766	0.7
135.04539	1.1
136.01683	0.5
142.94424	0.5
143.95192	0.5
147.00874	0.5
149.02480	2.3
150.03169	1.0
153.93687	3.1
161.06093	0.5
162.96454	0.4
165.31645	0.4
169.93137	2.4
170.93941	6.2
171.94824	0.8
173.02734	0.5
176.96565	0.4
177.05580	1.2
179.03487	0.6
186.93436	0.7
197.92635	4.2
198.93423	11.3
199.93597	1.0
204.96013	1.1
205.96729	0.4
208.95514	0.4
214.92941	2.2
215.93600	0.5
215.95314	3.7
216.95979	1.2
217.96596	0.5
218.97536	1.1
219.94792	2.8
220.95326	1.1
231.46167	0.3
231.94736	0.6
232.95549	2.3
233.96353	2.0
234.97064	3.8
235.97194	0.4
236.95003	1.0
243.98296	3.5
244.95488	1.6
244.99104	4.6
245.99385	1.0
248.95084	0.9
258.97015	0.4
259.94098	0.4
260.94940	1.6
260.98358	0.4
262.96570	1.9
263.96930	0.4
276.98111	0.3
278.96060	1.2
288.98145	2.3
290.96030	0.9
304.97617	1.1
314.96170	0.7
332.97165	1.7
333.96927	0.4
346.95169	0.4
376.96088	9.4
377.96210	1.8
394.96988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01690	1.6
61.98819	4.4
70.78574	3.0
70.78906	2.6
77.09466	1.3
78.95929	1.6
96.96077	1.8
115.00372	2.5
116.92839	2.6
137.02505	1.5
138.05528	1.6
185.94725	1.5
273.77759	1.9
276.09753	3.1
346.59662	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2285
Annotation	Melissoidesin P
Peak:m/z	Relative Intensity
59.01381	11.3
61.98830	5.9
65.03946	2.0
69.03444	2.4
69.72267	1.7
69.72626	11.8
71.01387	4.9
82.40958	1.7
83.05032	7.7
85.06599	2.7
95.05026	11.5
96.96042	2.8
97.06602	25.3
109.06602	2.6
111.08153	2.5
115.00414	2.2
116.92812	2.0
121.02961	4.1
121.08207	2.0
122.03334	2.4
123.08207	2.0
125.09708	3.4
127.16978	2.0
135.08141	3.0
143.07156	18.4
159.99011	1.8
161.13307	5.2
171.10229	2.6
181.08720	2.7
204.04158	1.7
205.12366	13.7
205.16011	1.8
211.13362	7.6
221.15442	2.6
231.13748	2.5
233.15486	47.1
234.15729	4.5
235.17018	2.7
249.14940	8.0
250.15520	2.0
263.12747	2.9
303.23334	3.3
329.05045	2.0
339.19711	2.1
347.22318	3.6
349.23785	5.4
357.20825	4.1
365.23453	2.2
375.21777	100.0
376.22006	16.2
393.22821	92.5
394.23108	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2079
Annotation	Pulchellamine G
Peak:m/z	Relative Intensity
56.11018	1.4
56.37057	1.8
59.01368	6.7
60.08172	1.7
60.99304	3.0
61.98833	16.3
62.62199	1.6
63.24190	1.7
71.01385	4.9
78.04000	1.6
88.00439	2.0
88.98801	4.8
92.56945	2.0
96.96027	4.8
97.02984	1.9
97.06581	2.2
99.99418	1.8
120.08193	2.2
121.02966	5.4
123.08148	2.1
125.09762	9.5
134.09769	30.7
145.03955	1.9
160.07654	6.3
160.11333	7.8
174.09213	4.2
186.09210	5.3
204.13965	3.7
226.04282	1.8
258.03494	2.1
268.20593	2.6
277.21674	1.8
286.21802	2.5
300.19699	3.4
304.19012	4.1
304.44547	1.8
312.19717	4.1
318.20758	11.3
319.20987	2.8
330.20752	100.0
331.21005	11.8
348.21783	21.8
349.22208	2.5
362.19662	10.8
374.19687	8.7
392.16138	2.6
392.20770	37.7
392.25372	3.2
393.21280	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	392.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.3
61.98834	100.0
70.70522	8.5
71.01393	7.1
74.73335	2.9
96.96015	4.0
134.03853	2.5
182.61386	2.6
276.09592	7.0
374.67972	2.6
393.22949	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	392.1497
Annotation	Lucidamine A
Peak:m/z	Relative Intensity
50.85573	1.3
58.02984	14.6
59.01390	3.7
66.03483	1.9
70.54346	3.5
71.01398	4.2
72.00919	1.7
74.02480	29.3
82.02998	5.2
84.04581	3.2
86.02492	12.0
86.06133	2.8
87.05645	5.4
96.96027	8.7
97.04076	2.8
99.05642	23.6
99.92590	4.8
101.07236	3.7
102.05630	4.8
109.04091	5.2
111.05689	2.3
112.04046	4.2
115.92056	2.9
116.92835	10.9
117.26398	1.6
119.05392	16.8
123.05723	1.8
125.03602	4.4
127.05138	5.4
128.03546	77.8
129.03894	1.8
133.01440	3.7
135.05675	6.5
139.05148	1.7
141.06641	3.2
143.04630	100.0
144.04973	2.7
145.06203	4.9
146.04561	10.0
149.07253	1.8
153.06703	6.3
161.93869	1.4
163.03976	2.0
166.09854	3.9
167.04630	4.3
167.08292	7.0
170.03282	2.8
171.04150	2.3
179.04642	22.9
181.06212	2.0
184.10901	3.0
185.05634	3.9
192.07768	3.4
197.05653	4.6
210.08817	19.2
211.09360	1.4
226.04538	1.3
236.78850	1.4
254.07831	48.2
255.08061	3.2
263.10727	4.7
272.08875	47.9
273.09210	4.0
273.61395	1.8
374.13992	10.0
392.14993	65.0
393.15268	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	392.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52858	10.0
59.01390	28.4
68.99813	11.1
70.15397	9.4
71.01394	26.1
76.61132	7.8
76.61625	9.9
77.64316	8.0
83.01404	12.1
85.02965	12.8
87.00881	100.0
99.00912	11.7
109.06532	9.0
109.24020	9.1
111.00893	16.2
111.65634	10.3
115.00433	21.2
116.05080	58.9
121.06195	8.8
129.01933	12.4
141.01904	14.1
158.06157	14.0
159.02994	11.5
187.07608	11.0
188.07208	30.4
204.06747	10.9
232.10609	14.4
235.04910	9.2
251.14877	9.0
260.27344	8.6
275.09198	15.1
276.09610	63.0
288.08731	68.2
306.09711	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	33.6
61.98827	2.8
71.01392	3.9
71.59525	2.1
83.05038	1.2
97.06619	2.1
98.39034	1.3
99.92587	2.6
109.06656	1.5
111.08172	18.4
112.53608	1.3
119.08628	1.5
133.01443	1.7
133.02980	2.5
134.03781	2.5
147.11778	4.0
151.11325	1.4
153.12888	1.4
165.12845	5.1
169.12366	9.2
197.11836	66.2
198.12129	4.5
199.13461	2.3
209.15608	1.7
211.13390	7.1
215.10533	8.0
215.63330	1.5
219.10013	5.2
227.12973	1.7
231.10159	1.4
233.11591	100.0
234.11891	6.8
249.13530	1.5
251.11349	2.8
257.17606	1.6
263.20007	2.0
265.18182	1.8
275.09302	8.0
276.09631	1.4
279.10934	1.5
291.19702	12.9
292.19873	1.5
293.12491	4.9
298.62778	1.3
305.04987	1.5
309.20728	47.5
310.21088	6.6
313.17792	2.5
323.05847	1.5
331.18988	6.5
391.21167	6.3
392.94254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01643	2.6
57.19799	2.4
59.01379	51.0
59.89186	2.6
61.98827	4.2
69.03457	4.0
69.83057	7.6
69.83496	9.1
71.01383	11.2
77.41029	2.7
83.05038	3.5
99.92594	6.5
101.56403	3.1
111.08168	43.4
115.00389	3.6
116.05056	8.7
117.05331	5.4
132.04555	5.6
133.02977	3.3
134.03722	8.1
137.75720	2.8
144.04402	4.1
151.11252	3.9
169.12354	9.6
171.10100	3.8
177.01945	3.1
180.76506	3.1
197.11844	100.0
198.12125	8.0
211.13353	10.8
215.10448	4.8
215.67551	3.1
219.10028	92.2
220.10310	3.9
231.10196	8.4
233.11618	46.3
234.11929	3.0
245.80376	3.2
251.11336	7.6
263.20221	5.3
268.61115	3.0
275.09311	19.6
276.09473	3.6
291.19714	22.3
292.20041	4.0
293.12427	8.7
309.20721	86.7
310.20978	8.5
313.17761	3.9
331.18961	32.9
332.19196	6.7
375.17807	5.4
391.20581	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	391.1915
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
54.37589	0.7
54.90019	0.7
57.43401	0.8
59.01138	0.8
59.01390	9.2
61.98822	1.2
70.03302	3.0
71.01398	0.8
78.95914	1.2
92.77436	0.8
93.03468	1.2
105.09761	0.7
119.05035	100.0
120.05379	5.3
127.62359	0.7
130.04245	3.0
130.84430	0.7
134.03676	0.9
138.19437	0.7
143.05048	1.7
144.05757	1.0
145.06580	2.9
157.06561	2.2
159.04555	1.6
159.08183	2.2
161.02473	1.2
173.06035	1.4
185.06000	0.9
185.88344	0.8
187.04071	1.7
190.06335	1.2
201.05554	1.3
227.14401	2.2
255.23334	1.0
267.06671	1.5
271.13388	11.4
272.13654	0.8
275.09390	0.8
289.14459	16.5
290.14792	2.5
298.19540	0.8
391.19162	57.5
392.19489	10.7
392.31967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97566	7.4
59.01385	1.5
59.08103	0.5
61.05088	0.5
61.98833	100.0
71.01389	1.0
71.58893	0.7
74.99100	13.5
74.99512	1.1
75.99454	1.2
76.98701	0.8
84.25539	0.6
88.99399	0.7
95.25943	0.6
121.92504	0.6
129.02592	2.7
133.02946	0.6
164.96477	0.6
165.11794	0.7
168.32811	0.5
176.99287	0.9
192.01579	9.0
192.03162	0.8
193.01834	2.4
194.01216	1.6
195.03345	4.0
227.22931	0.6
310.05457	0.7
392.04309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75699	0.8
60.04702	1.1
69.29726	9.8
71.01389	44.9
84.63668	0.9
89.03967	1.3
95.05014	1.9
97.06612	1.6
105.03460	7.0
115.00386	15.1
117.03458	3.6
123.04534	1.4
133.02960	21.1
134.03754	42.2
135.04559	10.3
137.02451	1.3
145.02928	1.6
149.02502	1.2
161.02492	2.9
162.03249	12.2
177.01965	7.3
178.02734	4.9
187.07648	2.4
188.83266	0.9
203.10728	1.6
203.95833	1.1
231.10265	37.1
232.10648	3.1
275.09259	100.0
276.09598	11.1
390.04584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33887	2.2
59.01378	11.8
61.98837	100.0
67.01334	2.2
69.62899	7.5
69.63326	9.5
71.01387	18.6
96.96022	3.4
97.78900	2.7
105.03432	4.5
109.35828	2.8
115.00355	9.6
115.39627	2.2
133.01451	5.2
133.02974	21.3
134.03809	37.9
135.04027	12.1
136.52094	2.3
137.02429	9.5
138.02789	5.8
139.03983	5.1
143.91692	2.8
150.66309	2.8
162.03178	5.6
177.01913	11.7
178.02722	33.4
179.03082	16.5
187.07733	2.7
206.50983	2.7
211.13344	6.8
212.13635	11.9
231.10181	9.8
275.09274	36.9
310.15076	2.9
328.16394	8.1
346.17374	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	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70688	1.8
57.97557	2.7
58.62379	1.9
59.01377	8.4
61.98835	100.0
70.08866	3.6
70.09262	5.1
71.01385	2.7
79.95731	6.4
81.03436	2.4
83.05039	4.6
96.96011	15.9
115.00357	3.2
133.01462	2.1
134.03760	3.6
143.04976	2.0
157.54736	1.8
204.69528	1.8
231.10329	2.8
234.87553	1.9
258.02759	2.0
263.16370	2.2
275.09158	6.7
312.76938	1.9
332.21591	2.0
390.19205	5.8
390.23807	2.0
391.17789	6.6
391.25415	2.3
391.29813	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	389.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21339	3.4
59.01095	6.1
59.01384	100.0
61.68789	2.9
69.97132	15.6
81.60072	3.5
93.80839	3.1
256.35785	3.2
287.11520	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	390.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	10.4
58.39327	1.2
59.01371	3.8
59.42627	1.3
70.02953	1.4
70.24453	4.6
71.01385	3.5
71.05014	2.1
72.00896	2.0
74.02477	29.1
76.32947	1.5
82.02988	2.8
86.02476	9.6
87.05644	7.8
90.00188	1.5
93.04633	1.3
96.96001	2.0
97.04087	3.7
99.05643	21.6
100.06090	1.5
101.07203	4.9
102.05611	3.4
106.53540	1.4
109.04082	3.8
111.05681	2.1
112.04051	3.8
119.05051	4.0
120.01252	1.4
122.20825	1.5
123.05691	2.8
125.03567	2.8
127.05120	5.7
128.03549	65.1
129.03917	1.8
131.04649	1.6
133.01437	2.3
134.03745	1.8
135.05624	5.3
137.07205	1.5
141.06696	6.5
143.04628	100.0
144.04971	3.5
145.06201	4.0
146.04576	9.9
147.04961	1.5
153.06700	6.1
158.15231	1.5
160.00757	18.3
161.42480	1.5
163.04010	2.7
166.09830	1.7
167.04587	4.7
167.08228	4.4
170.03296	1.7
171.07631	1.6
173.63164	1.4
177.03421	9.7
179.04630	18.4
181.06166	2.3
185.05743	3.2
193.05049	3.2
197.05701	3.2
210.08858	15.9
216.35081	1.8
228.09769	2.6
254.07803	27.4
255.08095	3.3
272.08875	43.7
273.09158	3.1
274.07904	2.3
288.06604	14.4
306.07657	98.6
307.07993	8.2
390.13345	8.4
402.93652	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	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.8
61.98835	100.0
63.05677	1.0
70.62627	2.5
71.01383	5.7
71.50215	1.1
79.95755	1.3
95.95229	1.6
96.96009	14.9
97.94834	1.9
98.95599	21.4
98.96430	2.9
100.96030	2.0
115.00378	1.6
133.01471	1.5
133.02931	2.0
134.03734	4.0
177.01915	1.3
178.02765	1.2
231.10272	4.1
275.09210	10.9
390.15579	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90011	22.2
57.51595	22.5
59.01386	36.4
69.96224	100.0
86.87522	24.0
98.19895	30.5
176.98514	26.8
306.00366	22.0
367.31461	26.2
390.20111	26.8
402.01215	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	44.7
66.24607	42.3
70.62042	100.0
70.62401	47.8
70.68732	38.0
81.56719	42.1
111.64203	44.3
123.99837	43.3
256.00867	44.3
334.54181	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.50665	4.0
61.15446	4.3
69.58865	11.9
69.59281	18.4
94.95171	4.1
103.90369	4.3
147.67575	4.2
156.18987	4.6
172.46828	4.3
246.50003	4.6
297.57227	5.0
362.94815	4.6
369.74985	4.6
404.36914	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	389.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.5
59.01385	3.8
71.01379	2.7
71.60214	0.8
74.02483	0.5
85.02956	1.9
86.02490	1.0
87.00868	0.7
89.02450	1.5
89.77616	0.4
93.03472	5.2
95.05023	0.9
101.02434	1.1
105.03492	0.4
106.04264	1.0
106.25481	0.4
108.02251	0.5
109.02961	0.6
109.06615	0.8
113.02460	0.9
115.00404	0.8
117.03430	1.1
119.03448	0.7
119.05035	1.2
121.02958	23.8
122.03770	14.3
123.04551	0.9
124.01665	0.9
132.02162	0.8
133.01453	1.6
133.02975	2.8
134.03748	67.7
135.04440	3.3
136.01671	0.9
137.02449	10.3
139.04016	2.5
145.57797	0.5
147.04469	0.6
148.01686	0.9
149.02449	44.6
149.06090	15.2
150.03232	95.8
151.03534	4.4
158.61604	0.4
164.04800	6.9
164.23738	0.4
165.05574	100.0
166.05905	4.8
178.02724	27.9
179.03088	1.8
180.04292	6.5
181.04948	1.0
193.05063	93.8
194.05411	5.3
195.06624	50.8
196.06943	3.3
197.03856	0.7
209.11871	2.4
211.07721	0.6
215.05014	1.0
221.06139	2.4
223.07599	0.6
229.08698	1.3
233.06065	1.6
234.06877	1.4
235.07571	1.8
238.06424	0.9
239.07150	4.7
249.05479	0.8
250.06380	4.0
251.06992	1.0
253.08737	1.5
254.09444	1.6
265.08698	1.4
267.06628	4.9
268.06720	0.6
271.80591	0.5
273.07724	0.9
282.08990	8.9
282.12131	0.6
283.09302	1.1
297.07794	1.0
297.11325	1.3
326.07932	0.9
341.10309	47.6
342.10629	6.2
360.15781	0.7
389.13062	0.8
389.18228	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	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.9
61.65830	5.7
61.98833	100.0
69.03469	5.6
69.57082	42.8
76.98269	6.6
79.95749	8.0
95.95266	6.4
96.96020	59.5
98.19890	8.2
98.95609	17.1
113.72186	6.0
116.05061	7.5
133.03040	7.8
151.84813	5.6
178.02739	7.8
229.08727	14.6
230.13713	6.4
303.44260	5.6
310.82254	5.8
389.15936	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	388.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
61.98833	39.9
69.81042	5.5
69.81454	8.0
71.01404	2.8
72.32208	2.1
79.95742	36.7
80.96526	4.7
95.95246	13.6
96.96020	100.0
97.02968	6.2
104.90301	2.2
106.32587	2.0
116.05044	4.2
151.00409	3.8
155.41110	2.3
176.98674	3.8
191.03838	2.5
211.13335	4.5
336.33768	2.2
389.16354	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63778	1.0
59.01384	100.0
59.34704	1.0
60.01722	1.3
61.98820	1.4
62.16145	1.1
65.73147	1.1
70.76183	2.4
78.48638	1.0
119.84431	1.1
126.31054	1.1
143.64371	1.1
216.84058	1.1
265.48929	1.3
284.19348	1.0
327.29111	1.4
329.57349	1.1
393.00739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66327	0.4
59.01398	2.1
61.98831	100.0
70.26701	0.4
70.27087	1.8
71.01380	4.7
72.99325	0.4
73.98309	0.5
74.02484	1.1
74.99100	5.5
78.96825	0.7
79.95750	2.4
85.02955	0.6
87.00919	0.5
88.25763	0.4
89.02440	1.1
95.95238	7.5
95.95799	0.7
96.96016	17.3
115.00378	5.5
121.02929	2.0
121.11438	0.4
122.03786	1.2
128.03587	1.1
133.01433	9.2
134.03740	5.6
137.02486	0.8
145.02948	0.8
149.02440	3.0
149.06068	1.1
150.03223	8.0
165.02397	0.5
165.05583	7.7
171.04401	0.6
172.05246	2.2
173.06088	1.2
178.02724	3.2
179.04578	0.5
187.04045	1.0
193.05034	8.1
195.06590	4.2
200.04869	0.6
207.06750	0.6
208.07033	1.2
216.04262	0.6
229.00278	0.9
229.08684	7.0
254.07828	2.3
273.07697	17.4
282.08838	0.9
341.10175	3.2
388.02060	5.0
388.16611	0.7
389.02621	0.5
389.18561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89734	2.0
54.59715	2.0
59.01372	5.9
61.98836	100.0
70.04836	10.6
71.01407	2.4
79.95747	14.4
95.95259	8.6
96.96023	51.1
97.02980	5.0
116.05070	9.7
121.03024	2.2
145.06194	3.3
151.00441	2.8
178.02885	2.1
229.08788	3.3
239.20874	2.1
289.72842	2.3
291.19855	2.7
327.83347	2.2
338.99509	2.2
389.16287	33.8
390.38272	2.0
407.02570	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	388.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96273	0.6
61.98833	100.0
69.70990	2.1
69.71407	2.4
71.01383	0.7
74.23260	0.8
88.29035	0.7
98.19964	1.4
133.02963	5.6
134.03764	5.4
137.02475	1.5
175.72032	0.6
177.02008	2.2
178.02744	6.1
197.50914	0.7
199.04205	0.7
209.11850	0.9
211.13460	1.8
273.00363	0.9
309.14926	0.7
327.16156	1.7
329.99393	0.7
345.17163	1.3
411.71396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06448	25.2
62.39119	25.2
62.91724	23.8
68.53483	22.1
70.21758	100.0
70.95554	25.0
72.73010	23.4
161.52962	25.3
202.79179	31.2
216.26320	31.5
257.92670	25.1
280.26443	95.8
341.50143	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21811	54.8
52.72808	53.5
58.37178	58.2
59.01365	85.1
61.98811	87.5
63.32043	65.0
71.59992	100.0
90.06670	53.8
94.84217	54.8
100.73801	56.2
112.15985	61.1
132.80667	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01338	10.9
59.01381	100.0
61.98817	13.7
63.37226	10.7
70.62260	39.7
74.58602	11.7
96.23934	10.3
139.89879	12.2
192.26688	10.2
304.96982	11.7
387.25369	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98826	8.5
63.97699	4.6
70.08272	19.8
86.71193	4.8
102.51376	4.6
115.75749	5.6
116.76010	4.7
127.86739	4.5
152.03851	5.1
165.09677	4.7
173.42648	4.8
191.26192	4.9
227.38132	5.5
314.41791	5.3
339.68378	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91846	0.9
57.03451	2.2
57.97561	2.8
59.01386	7.6
62.81713	0.9
66.59946	1.0
69.18720	0.9
70.91402	1.0
70.91771	2.7
71.01395	1.8
83.05021	1.3
85.02953	6.0
89.02422	1.3
91.04019	1.9
96.96023	3.2
116.23344	1.1
126.08053	0.8
131.08267	1.7
131.28554	0.9
157.66876	1.0
191.01962	1.7
206.99422	2.2
209.03175	1.7
249.22244	82.0
250.22531	8.6
267.23215	2.5
276.19196	0.9
293.21234	55.8
294.21613	5.3
311.22299	100.0
312.22580	13.2
385.25983	44.7
385.31000	1.7
386.26349	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68022	5.7
55.20571	5.7
59.01143	7.1
59.01384	100.0
73.06976	6.4
85.02949	30.2
96.96001	17.8
107.92622	6.3
119.20126	6.8
137.25034	6.9
179.33163	6.2
191.01973	12.0
209.02861	7.9
213.77982	6.5
216.31703	8.1
249.18361	8.1
360.38950	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	387.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
58.10408	0.9
59.01385	100.0
60.01715	1.5
61.98820	1.7
66.33173	1.1
69.03465	1.1
71.01388	20.7
71.60418	1.7
72.99320	1.1
73.02953	8.9
74.02484	2.9
83.01393	3.0
85.02959	4.6
89.02448	5.9
92.15652	0.9
95.01414	0.9
96.49904	1.0
96.96011	1.3
97.06603	1.7
99.00893	1.4
101.02454	12.5
113.02436	6.6
115.00352	1.7
119.03481	1.9
125.02422	1.0
134.03787	1.6
135.04533	11.5
138.06836	3.4
139.07652	1.1
143.03455	1.4
151.00410	1.0
161.04567	3.4
179.03508	6.9
181.69164	0.9
211.13434	1.2
233.15442	3.8
251.16594	2.5
271.15472	1.6
327.21591	1.4
329.19669	5.4
345.19150	4.3
387.15460	2.0
387.23965	17.6
388.24121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
56.69989	0.7
57.03458	5.0
58.00595	1.8
59.01385	100.0
60.01711	1.4
69.03458	2.0
71.01389	37.5
71.37636	1.7
72.99307	3.2
73.02956	6.9
75.00883	0.8
83.01392	4.7
83.05019	1.4
85.02955	16.5
86.00108	0.9
87.00904	4.3
89.02444	17.7
95.01390	3.7
96.96009	3.7
97.02960	1.6
98.95600	2.7
99.00881	3.4
101.02450	20.8
107.05025	1.2
111.08138	0.9
113.02462	14.5
115.00357	1.4
119.03500	6.3
129.01953	1.6
135.04489	1.2
135.11809	2.3
157.89052	0.8
159.08138	1.3
159.11797	4.9
161.04587	6.4
161.09697	5.9
162.10049	1.0
163.11308	12.1
165.09172	1.9
167.16383	0.9
171.08139	1.4
174.01682	3.2
179.05502	1.4
179.10799	17.3
181.12354	24.6
182.12714	1.6
187.11282	3.9
189.12894	5.4
190.10071	5.2
191.10738	1.3
193.12393	1.0
203.10771	11.0
204.11441	1.3
205.08632	1.1
205.12346	7.1
211.13411	1.9
221.11783	2.4
223.09805	7.9
223.13370	1.9
224.09964	1.0
233.11989	1.1
247.13347	2.3
265.10718	2.2
269.14005	1.8
272.60587	1.0
319.12106	0.8
325.12860	2.5
333.20044	1.0
333.89429	0.8
343.09067	3.3
357.57864	0.8
385.10440	1.9
385.14914	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80350	0.7
57.03433	1.3
59.01387	5.3
61.98832	100.0
68.88052	0.8
70.04992	1.9
70.05389	1.7
71.01389	2.2
79.95741	1.9
82.22878	0.8
85.02959	9.2
94.98046	1.1
95.95242	5.1
96.96016	82.6
97.06577	0.8
100.56474	0.7
108.02148	0.7
121.82073	0.8
130.08743	5.1
147.03024	1.0
183.10371	1.0
191.01913	2.2
209.02946	1.8
249.10890	1.3
269.17572	2.1
287.08392	1.1
322.20178	2.5
385.15454	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	385.1869
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
55.01874	6.7
57.03446	5.9
57.87288	1.2
59.01381	23.6
69.56557	6.4
71.01385	100.0
72.01726	1.3
72.57854	1.2
72.99293	1.5
73.02948	32.0
75.00877	2.1
80.17117	1.1
83.01395	10.6
84.23974	1.1
85.02954	47.2
87.00887	3.8
88.98238	1.2
89.02444	9.1
95.01407	5.3
96.96007	4.8
97.02953	2.7
99.00884	11.7
101.02447	59.0
102.02818	1.1
113.02449	43.8
113.03250	2.3
114.02773	1.6
116.05063	2.1
119.03504	3.3
143.03496	3.3
158.77333	1.2
159.03014	12.1
161.04558	45.1
162.04846	1.8
173.19785	1.3
179.14384	13.1
201.02466	1.1
205.03468	1.2
223.13423	3.1
232.17720	1.2
241.00287	1.5
292.70364	1.1
311.80179	1.2
327.16519	1.6
385.18631	21.6
386.18991	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1871
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01878	1.9
57.03445	4.6
58.00598	1.5
58.91644	0.4
59.01382	100.0
60.01722	1.5
61.98840	0.5
68.99802	0.7
69.03467	1.8
70.06016	2.1
70.06356	0.5
71.01386	38.3
72.01762	0.7
72.99306	2.7
73.02950	7.5
75.00875	1.2
79.05495	0.6
79.95720	0.5
80.78692	0.5
81.03463	0.5
83.01397	4.4
83.05026	1.5
85.02959	15.5
85.03450	0.9
86.00113	1.1
87.00868	4.6
87.04481	0.6
89.02444	17.5
95.01371	2.9
95.05059	0.6
96.96009	3.6
97.02973	1.4
97.06610	0.5
98.95621	3.9
98.96403	0.8
99.00888	3.5
99.04548	0.5
101.02449	19.2
101.70525	0.6
102.02756	0.5
107.05035	1.3
109.06595	0.5
109.13935	0.5
111.00888	0.6
111.04537	0.7
111.08163	0.8
112.98850	0.7
113.02451	19.1
114.02775	0.7
115.00349	1.1
116.92863	0.5
119.03505	5.1
121.06597	0.6
121.10249	0.5
125.02500	0.7
125.06088	0.7
128.03551	0.6
129.01930	1.2
131.03474	0.7
133.01408	0.9
133.10268	0.8
135.04530	1.6
135.11803	3.3
137.09758	1.8
139.00348	0.5
142.99884	1.5
143.03491	0.7
143.08650	0.5
146.07413	0.5
149.06064	0.5
149.09778	0.6
151.11357	0.6
153.09320	0.6
153.12790	0.7
159.03000	1.0
159.08202	1.5
159.11818	3.6
161.04544	4.3
161.09738	6.9
162.10121	0.8
163.11302	11.4
164.11617	0.8
165.09238	2.2
171.08163	1.2
173.00952	0.9
174.01720	3.4
175.02402	0.5
175.11179	0.8
177.12851	1.2
179.05682	1.4
179.10776	17.8
180.11166	1.3
181.12346	22.2
182.12640	1.1
187.11267	3.6
189.12862	4.9
190.10016	4.2
190.13237	0.8
191.10680	0.6
192.07463	0.5
193.05026	0.7
193.12325	0.9
195.14034	0.5
203.10783	13.4
204.11366	2.1
205.08672	0.9
205.12338	6.8
205.14264	0.7
211.13438	1.2
221.11894	1.7
222.78763	0.6
223.09772	8.5
223.13281	2.8
223.15372	0.5
225.14935	0.5
229.12325	0.7
233.11829	1.1
245.61099	0.5
247.13423	1.6
263.12988	0.5
265.10867	2.8
267.12485	0.9
269.13980	3.1
270.13803	0.5
285.13403	0.8
295.12021	1.2
307.12021	0.6
325.12750	2.6
341.11731	0.5
343.08966	2.8
367.14008	1.1
385.10495	2.9
385.14993	1.5
385.18866	1.5
398.60129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27375	0.6
57.03424	0.7
57.63158	0.7
59.01381	100.0
60.01718	1.6
62.07927	0.8
64.17311	0.8
69.61042	5.2
69.61401	0.9
71.01395	7.2
73.02954	2.1
73.14951	0.7
79.95745	1.9
80.96513	0.8
81.00970	0.8
85.02960	2.2
86.79638	0.7
96.96011	19.1
98.92524	0.9
99.00900	2.3
101.02455	4.0
112.98837	1.6
113.02466	2.8
120.62556	0.9
142.99896	1.8
148.05318	11.4
161.04555	6.2
163.07654	8.2
164.08025	0.7
164.98709	1.0
173.01036	1.8
174.01682	7.4
189.78049	0.7
204.17148	0.7
204.65126	0.7
211.13472	2.6
214.30792	0.7
217.15762	0.8
223.13478	1.7
225.38100	0.8
263.58658	0.7
267.12430	1.9
269.13974	4.6
343.10703	11.2
344.11066	1.1
367.13943	1.3
385.11618	7.1
385.23557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62539	1.9
57.03443	3.8
59.01384	19.6
60.46907	1.8
61.98816	2.7
70.09751	8.2
71.01384	21.5
72.99328	11.3
72.99667	1.8
73.02964	4.1
83.01404	3.9
85.02946	7.8
88.46163	1.7
89.02459	1.8
96.96008	16.7
99.00884	13.5
101.02450	8.6
102.05605	4.1
111.00850	4.3
112.98814	22.2
113.02438	3.5
115.00349	7.4
117.01861	1.9
124.98821	2.5
128.03558	4.2
133.01476	2.1
134.99870	1.7
142.99867	30.9
153.09210	2.1
156.00648	3.5
161.04501	3.7
168.10954	2.0
173.00912	14.7
174.01698	100.0
175.02295	4.6
179.14430	4.1
180.14568	1.9
195.13881	3.5
205.12325	4.3
211.13399	21.0
223.13368	19.1
225.14919	2.2
235.13461	3.0
237.14856	2.1
241.00276	3.8
251.12849	3.1
253.92599	1.8
263.12848	6.9
267.12329	17.1
269.17642	2.2
270.20743	2.4
279.12357	2.4
307.11923	15.7
325.12793	3.2
341.63974	4.6
342.13968	2.2
349.12939	2.7
367.13965	25.4
368.14127	2.9
385.14890	3.1
385.22592	2.3
386.21945	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01654	1.2
53.91251	1.1
57.03446	2.7
58.00609	1.6
59.01385	19.5
67.01900	1.0
68.99819	1.9
69.85030	5.4
71.01385	22.0
72.99314	4.9
73.02965	1.6
75.00882	18.4
83.01405	1.6
85.02957	31.5
87.00874	7.9
89.02446	8.2
91.04026	1.9
91.05538	17.6
95.01396	5.2
95.29560	0.9
99.00882	9.9
103.00384	3.3
111.00861	1.3
113.02458	34.2
115.00362	1.7
115.82397	1.0
117.01949	3.3
117.03469	4.4
129.01967	1.9
133.13756	1.0
134.03838	1.2
135.04526	11.2
136.04869	1.0
145.10959	0.9
161.02451	1.7
161.97610	1.0
175.02556	1.9
182.31279	1.0
191.02017	2.1
193.04987	1.2
205.07143	1.9
207.05090	2.0
209.02884	1.1
231.05122	2.1
247.72639	1.0
249.06155	36.0
250.06438	2.1
267.07211	100.0
268.07535	5.4
385.11472	32.4
386.11823	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	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
70.50297	4.6
71.36648	5.2
71.37001	9.6
74.14766	4.7
105.35206	4.2
109.86443	5.0
127.01032	4.5
152.71396	4.6
231.56581	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	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35929	0.8
56.48482	0.7
57.03448	4.7
59.01396	4.6
59.01641	0.8
59.17850	0.7
60.24152	0.8
71.01387	0.9
80.02730	1.3
83.05022	1.7
85.86678	0.7
89.02431	0.8
91.03999	0.7
97.06589	2.4
97.11555	0.7
101.50964	0.8
106.04238	1.3
108.33105	0.7
121.02959	4.1
123.08093	0.7
124.56428	0.8
146.32242	0.7
146.57874	0.9
153.12880	1.4
164.56691	0.8
177.16513	1.9
193.15935	1.3
205.99593	0.7
217.01138	0.7
247.20673	50.9
248.21037	5.9
265.21689	3.0
273.18613	12.7
291.19672	63.8
292.20074	7.9
297.03732	0.9
309.20712	100.0
310.21072	10.8
383.24393	45.9
384.24771	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	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57290	0.7
57.03448	5.0
59.01389	4.7
61.64880	0.7
61.98797	0.8
71.01383	1.0
71.05013	1.3
83.05021	1.4
91.03987	0.7
95.05064	1.2
96.96026	0.8
97.06581	2.4
98.20721	1.4
123.08139	0.9
139.11240	1.8
153.12781	0.9
177.16502	2.1
193.15996	1.1
199.06909	0.7
222.71121	0.7
245.19226	0.9
247.20682	46.6
248.21034	5.2
265.21753	3.7
273.18613	12.5
274.18948	1.6
291.19678	61.5
292.20053	7.5
309.20731	100.0
310.21063	11.6
314.06113	0.9
383.24429	39.0
384.24573	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	383.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.2
59.01381	100.0
60.01711	1.0
61.98823	6.6
64.65551	0.9
69.72325	3.5
69.72742	2.0
71.01384	19.0
71.05017	1.8
78.95889	1.6
83.05032	1.1
87.00871	2.8
96.95989	1.5
96.98148	0.8
115.00383	20.2
133.01434	16.0
161.09735	1.1
161.13339	2.7
163.11279	1.1
173.44286	0.9
199.95659	1.0
201.56425	1.1
205.12321	1.3
207.10269	1.5
223.13394	93.5
223.43785	1.0
224.13777	6.6
255.74103	1.0
267.12372	59.8
268.12744	6.6
310.31824	0.9
332.21970	1.1
337.07489	0.9
350.48849	1.0
383.13437	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	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19064	1.4
59.01381	100.0
60.01722	1.6
66.91551	1.4
69.56619	4.6
69.57042	5.6
74.48788	1.5
105.14304	1.3
155.72318	1.4
249.67075	1.5
298.96970	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	383.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25494	1.2
54.35502	1.2
54.61468	1.2
67.80215	1.2
70.60587	4.0
71.01381	13.1
75.19954	1.4
88.11330	1.4
89.34560	1.3
91.79005	1.3
115.00384	8.4
134.03746	100.0
135.04062	6.1
149.06087	65.3
150.06369	3.9
171.61053	1.2
178.02754	8.3
192.04433	1.4
193.05066	33.0
194.05414	3.3
198.57094	1.2
237.20293	1.3
267.08731	92.4
268.09131	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	383.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88420	0.9
55.69918	0.7
59.01378	6.7
69.81786	4.4
71.01385	34.1
72.99305	0.9
80.96542	0.9
85.02908	0.9
87.00867	0.9
89.02453	3.9
95.01399	0.8
96.95962	0.8
101.02421	3.3
113.02428	1.7
115.00391	10.3
119.03517	1.8
129.17175	0.8
134.03748	100.0
135.04047	4.6
136.01645	3.4
147.04565	1.1
148.32283	0.9
149.06087	54.0
150.06412	3.3
153.05562	1.8
161.02400	1.4
163.04016	1.0
173.25148	0.8
178.02608	1.1
192.04263	3.7
193.05064	11.1
194.05531	0.9
267.08740	96.2
268.09079	8.9
375.27261	0.9
383.13904	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	382.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18323	0.7
58.02985	0.8
59.01381	3.2
61.98833	100.0
71.01379	3.4
71.61002	0.8
79.93576	0.7
79.95751	1.4
96.96010	8.1
98.49329	0.7
100.83386	0.6
111.25478	0.7
112.78921	0.6
115.00414	2.1
119.38926	0.7
127.05151	1.4
128.03633	0.7
129.10371	4.1
133.01443	1.7
135.04466	0.7
139.38222	0.7
139.75211	0.7
145.06236	0.9
147.04541	1.0
154.54709	0.7
164.07170	3.0
171.11433	2.3
207.61766	0.6
233.16685	1.3
267.15970	4.0
306.75986	0.8
319.16644	8.8
319.19644	0.8
339.13541	2.1
339.62924	1.3
340.14200	3.7
361.14688	2.3
383.34033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66082	1.1
59.01384	100.0
61.98839	1.8
70.62950	3.9
78.95895	1.4
89.19472	1.3
92.07950	1.3
145.06129	1.3
152.99573	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	383.0775
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
57.03453	1.4
59.01382	1.9
61.98830	1.5
68.99817	1.8
70.08022	2.8
71.01370	0.7
93.03447	0.7
96.96049	1.7
98.20008	0.9
119.04997	0.9
121.02966	100.0
122.03274	3.7
125.31239	0.8
145.02960	0.9
147.04509	2.5
149.02487	1.7
153.52850	0.7
180.05875	1.0
181.06567	4.8
191.03514	10.3
192.03973	0.9
216.05305	0.9
225.05588	7.9
247.20670	8.6
251.07121	4.4
273.18683	2.1
291.19629	11.0
295.06091	12.1
309.20752	17.9
310.21017	1.6
311.09265	18.0
312.09552	1.0
313.07199	20.2
313.10904	1.3
314.07544	1.7
339.08740	14.5
340.09320	1.6
353.36957	0.8
365.24918	1.8
383.07736	28.2
383.24466	8.0
384.08057	5.7
393.36218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03182	0.8
57.03449	8.6
59.01382	8.1
69.43517	0.4
70.91975	1.2
71.01385	27.6
71.05005	0.7
72.99310	0.5
79.05536	1.1
83.05029	2.6
96.96015	1.2
97.06594	1.1
115.00380	14.2
116.89394	0.6
119.08593	0.6
121.06594	1.3
133.01451	1.5
134.84567	0.5
135.08167	0.5
137.09741	1.6
147.08186	0.5
151.08778	1.6
151.11317	0.6
159.11780	0.8
163.11275	0.8
169.10223	2.2
177.12793	1.5
181.12381	1.0
185.13377	4.9
186.13681	0.6
187.11269	0.9
203.10774	1.0
203.14415	5.3
221.11926	0.7
234.08812	0.8
265.14447	100.0
266.14783	9.2
267.43558	0.6
321.22058	3.2
353.57428	0.6
381.18384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2285
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
50.35647	1.3
58.65282	1.1
59.01387	7.2
60.77230	1.1
61.98832	14.7
91.04024	2.1
96.96015	1.4
109.99136	1.2
138.15439	1.1
146.96597	2.0
147.98036	1.2
160.71024	1.1
167.73204	1.3
245.19144	12.0
246.19521	1.4
263.20181	100.0
264.20526	10.5
271.17126	2.7
289.18173	16.5
290.18375	1.8
304.55551	1.3
307.19193	38.9
308.19516	4.2
361.48846	1.4
381.22824	29.2
382.23187	4.9
382.27682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1007
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
52.43822	0.6
54.27374	0.4
61.98825	1.0
71.01389	10.8
71.59358	0.8
92.02548	1.2
93.32610	0.7
107.03636	2.3
115.00379	16.7
119.03603	0.9
119.05022	0.8
120.10504	0.5
127.46829	0.5
133.01442	1.2
133.04008	1.2
134.04735	100.0
135.05173	2.6
146.04733	0.6
149.06078	2.4
153.19492	0.5
156.14250	0.5
162.07858	7.3
174.99944	0.6
179.03488	0.9
182.21841	0.6
188.05772	1.3
192.28734	0.6
193.05089	1.6
206.06822	32.0
207.07057	1.4
232.04703	1.0
250.05850	3.7
266.08963	4.7
267.08838	3.4
331.22314	0.7
382.10056	32.9
383.10345	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	381.1226
Annotation	Nerolidyl diphosphate
Peak:m/z	Relative Intensity
59.01387	2.5
61.98824	0.4
71.01379	1.6
71.31615	0.4
72.99336	0.4
73.02970	0.4
79.95737	4.0
80.96519	1.2
85.02946	0.7
86.06165	0.3
87.00888	0.4
89.02449	0.4
93.45349	0.3
95.95241	1.0
96.96016	100.0
97.06619	0.4
97.95915	0.4
101.02465	1.4
115.00333	0.5
119.03398	0.3
119.31747	0.3
120.96008	0.3
122.97606	0.7
133.01447	0.5
138.97134	0.7
150.97093	1.4
152.98639	1.0
180.98134	2.5
187.19595	0.3
203.64915	0.3
214.76535	0.3
241.00266	3.2
256.99692	0.3
260.69296	0.3
265.14474	0.4
323.38055	0.3
381.12250	78.5
382.12601	8.8
382.17484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64511	0.9
54.18089	0.8
59.96712	1.1
61.98838	1.2
62.00223	0.9
69.72563	6.1
74.99077	18.3
75.96209	2.1
78.95918	1.2
91.02214	43.4
93.00134	16.3
97.41935	1.0
110.17620	0.9
114.44830	1.1
117.07879	1.0
134.88049	1.1
151.55788	1.0
153.78554	1.2
155.52240	1.0
158.81099	1.0
159.08476	100.0
160.08723	5.0
161.06410	14.2
178.92097	1.0
203.07657	1.4
211.91801	1.0
218.44557	1.0
365.11011	2.2
375.47876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.6
54.65720	0.5
55.01869	1.0
57.03449	4.4
59.01384	7.0
61.98826	1.8
68.99800	0.8
69.03457	2.2
71.01385	100.0
71.60808	0.5
72.01723	1.5
72.99303	1.1
73.02945	2.8
78.43440	0.6
79.95707	0.6
81.03458	1.6
83.01394	5.2
85.02957	15.0
87.00868	2.4
89.02438	3.0
89.06091	14.3
90.06407	0.6
93.03474	0.9
93.07101	0.8
95.01398	3.5
95.95241	1.4
96.96005	2.5
97.02966	2.3
99.00897	1.6
99.92609	0.7
101.02457	3.0
106.56271	0.6
112.01640	0.9
113.02456	16.1
121.02964	93.4
122.03309	4.2
125.02438	2.0
143.03491	1.6
161.04498	1.7
165.01923	2.4
185.08205	1.4
185.11823	1.0
203.09235	1.6
219.06592	1.8
233.10313	11.3
237.07697	11.8
238.07945	0.9
265.14456	1.3
289.18015	1.3
291.08774	7.1
291.12210	1.0
307.18912	0.9
359.29602	0.7
381.11917	53.6
382.12164	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	381.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27073	0.8
55.01884	0.8
57.03456	4.6
59.01384	11.0
61.98840	1.2
65.93647	0.8
68.99817	1.6
69.03460	3.7
70.92074	0.6
71.01387	98.5
71.05018	0.7
71.60861	0.9
72.01715	1.8
72.99323	1.7
73.02953	4.7
81.03455	1.8
83.01400	7.3
85.02442	1.3
85.02956	25.8
85.18071	0.8
86.03264	1.0
87.00872	4.3
89.02459	5.2
89.06086	17.7
93.03477	0.9
95.01385	5.1
96.96008	1.9
97.02950	3.3
97.06583	0.9
99.00902	2.6
99.04533	2.3
101.02433	5.0
111.04517	0.9
112.01694	1.5
113.02455	31.6
114.02796	1.4
115.00403	3.8
121.02961	100.0
122.03281	3.3
125.02499	1.6
131.07202	1.0
133.01439	0.8
135.04437	0.8
137.05975	0.7
143.03490	3.4
161.04561	2.3
165.01935	1.8
167.07184	1.3
185.08189	1.1
203.09209	2.3
216.72279	0.8
219.06639	0.8
221.15479	5.4
233.10310	28.8
234.10622	1.5
236.48404	0.7
237.07706	6.7
249.14862	0.9
265.14462	13.6
266.14926	1.2
289.18121	3.9
291.08719	3.7
307.19247	2.0
346.27298	0.8
381.11902	56.0
382.12296	5.8
393.91183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90150	1.5
59.01388	4.1
61.21117	1.8
61.98836	100.0
71.01399	7.6
71.59690	2.6
85.04292	1.5
99.92635	1.7
101.98084	5.5
107.45609	1.8
155.99135	2.8
162.89372	2.3
177.09219	2.4
192.11620	3.5
220.14713	32.7
221.15457	51.0
222.15756	4.7
225.09824	1.7
231.17549	2.2
236.10561	39.4
237.11020	2.9
275.16559	6.1
293.17682	11.5
299.75198	1.9
305.12454	3.5
306.13303	2.0
321.07349	2.6
321.24246	1.7
348.57571	1.5
360.14270	4.5
369.82382	1.7
378.15338	48.8
379.15845	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	379.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.7
69.96430	5.4
71.01388	46.7
73.02946	2.4
91.64774	1.1
96.96043	2.6
99.04558	1.6
112.28914	1.1
114.27741	1.5
115.00375	31.3
119.02689	1.3
133.01408	2.5
175.14923	37.4
176.15353	2.2
201.12834	5.0
219.13905	100.0
220.14281	8.5
263.12881	35.7
264.13162	3.4
379.21368	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	379.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13359	0.4
59.01384	100.0
60.01717	1.5
71.01386	1.5
79.95732	0.5
95.95284	0.4
96.96009	4.6
96.96475	0.4
115.00433	0.6
116.92907	0.9
127.94935	0.4
129.53999	0.4
211.13498	0.5
219.13986	1.0
263.12894	0.7
379.10754	1.7
379.21466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55088	1.3
59.01384	100.0
61.98829	6.0
71.01381	4.3
71.60454	1.7
78.06731	1.3
96.96027	1.7
100.64877	1.4
101.02451	1.9
115.94469	1.7
116.92879	3.1
120.99638	4.0
125.29470	1.5
126.95658	1.6
133.01439	3.1
161.04675	2.0
180.33261	1.6
183.31339	1.5
263.16412	2.3
319.21353	3.6
379.21585	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98820	1.4
69.34750	0.9
78.95925	1.5
84.82685	0.9
98.19824	1.7
119.38654	0.9
256.32968	1.0
381.10904	1.2
403.97925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23850	1.1
55.98294	1.3
57.97553	2.3
59.01384	100.0
61.98840	2.9
70.18507	1.3
71.01381	2.9
71.60751	1.1
72.55940	1.3
82.20520	1.3
85.02968	2.2
89.34086	1.2
96.96000	3.0
101.01820	1.6
101.02444	3.3
105.38694	1.4
115.00330	1.3
127.03157	1.4
192.74344	1.6
218.08545	3.1
220.53847	1.5
286.87393	1.5
313.36423	1.5
317.19714	1.8
341.23346	2.0
377.23611	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	378.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
57.03447	10.4
57.97575	2.5
58.00587	2.6
58.78288	1.8
59.01383	100.0
61.98831	8.2
62.25356	1.9
67.01900	2.8
68.99827	11.3
69.03459	20.0
71.01388	51.8
71.60148	2.4
72.01698	2.5
72.99303	4.0
73.02948	4.0
81.03481	3.5
83.01396	28.3
85.02961	25.8
87.00893	6.3
89.02441	2.8
94.26216	2.0
95.01406	6.3
96.96022	4.8
97.02946	16.2
99.00893	14.4
99.92632	3.0
101.02435	11.5
103.64723	1.9
111.00890	28.0
111.04513	3.3
112.36451	1.9
113.02497	12.4
115.00394	3.9
116.92858	6.0
123.00827	2.0
127.04064	3.8
129.01953	49.9
130.02261	3.0
131.03773	36.3
133.01453	5.9
133.02985	2.6
141.01947	43.3
142.02374	2.4
145.05307	4.4
146.06128	52.6
147.06537	2.6
150.04214	7.5
159.02986	38.0
161.02452	5.2
162.02713	2.1
172.07698	2.4
173.04745	2.3
177.04111	11.3
188.07143	4.4
201.04089	7.3
203.05949	2.9
216.06647	6.9
218.08221	38.9
219.08662	3.2
234.07680	6.9
244.09810	4.2
260.09183	8.7
276.08893	2.9
285.04041	7.4
286.04593	4.8
290.10281	2.4
300.08820	4.6
318.09860	54.7
318.13281	2.1
319.10107	5.4
336.10950	17.8
360.15128	2.3
378.11758	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1423
Annotation	Go 6976
Peak:m/z	Relative Intensity
58.71307	0.3
59.01373	0.4
61.98837	2.8
68.14626	0.3
71.35476	0.7
79.74271	0.3
82.15706	0.4
84.93905	0.6
88.57561	0.3
92.47269	0.3
95.42268	0.3
99.92589	81.0
100.90419	0.5
100.92596	4.7
100.93359	2.6
115.92083	41.5
116.92863	100.0
117.92087	0.5
117.92880	6.0
117.93661	0.4
127.95708	0.4
131.91550	0.3
165.25771	0.3
214.64307	0.3
229.01881	0.4
269.04770	0.4
277.21729	1.1
278.22290	0.4
282.05695	0.6
290.06177	1.0
299.06091	0.4
308.07120	2.3
309.08005	0.5
309.29370	0.3
315.14139	0.8
333.15265	1.3
345.55035	0.4
359.13342	1.6
365.14114	0.5
371.09439	0.4
373.11093	2.9
374.11432	0.5
377.14264	44.8
378.14499	8.1
391.12167	4.4
392.12326	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.9
61.98817	2.6
63.02391	0.9
68.99789	1.2
69.03454	1.7
69.72988	3.4
69.73398	2.1
71.01388	27.5
72.99315	4.1
73.02962	2.1
83.01389	3.8
85.02946	2.9
87.00891	2.2
89.02437	3.2
96.95984	0.9
97.02966	1.8
98.19857	0.9
99.00885	1.6
101.02466	2.5
107.01426	1.3
111.00869	2.0
113.02438	1.6
115.00383	55.4
116.00680	1.8
117.03494	1.1
128.03514	0.9
129.01955	3.6
131.03732	2.3
132.02162	1.2
133.01448	100.0
133.02913	12.9
134.01765	2.6
135.04552	7.1
141.01897	2.5
142.63622	0.9
145.02965	1.5
146.06137	4.6
147.08121	1.5
150.04199	2.8
151.00363	3.1
158.03664	1.2
159.03024	2.7
159.04501	10.4
160.05229	2.4
161.02457	28.7
161.09734	1.3
162.02753	2.4
172.09682	1.1
173.06093	3.7
174.06778	2.8
175.07588	1.5
177.04155	1.1
177.05548	1.2
179.03482	4.6
187.04036	3.5
188.04802	25.3
189.05197	2.1
189.09174	3.9
199.07686	4.9
202.06461	1.1
211.03999	1.1
214.02776	3.1
217.08699	88.4
218.09109	7.4
221.04497	2.1
227.03513	4.0
251.05579	1.5
255.02966	5.5
256.03180	1.2
257.04660	1.0
261.07684	22.9
262.08002	2.1
281.06641	3.5
283.02493	5.7
284.03064	3.5
285.04062	38.3
286.04407	7.8
318.09912	4.4
336.10751	1.1
348.08908	0.9
376.58484	3.5
377.08649	9.0
377.18124	2.6
377.58817	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	376.1767
Annotation	Stephasunoline
Peak:m/z	Relative Intensity
57.03024	1.0
58.39848	0.9
59.01373	5.5
61.73787	0.9
61.98840	1.9
62.08108	0.9
64.10673	1.0
68.99825	63.5
70.00151	1.2
70.44653	3.4
94.91409	1.0
96.96006	1.3
96.99318	61.3
97.49062	1.0
97.99648	1.8
103.96628	1.0
109.64635	1.1
166.71648	1.0
172.09888	1.4
173.10182	1.0
189.93159	1.8
216.12468	1.2
230.15511	46.7
231.15852	4.2
232.17033	3.4
259.08588	2.8
316.15546	17.6
317.15942	2.4
376.17651	100.0
377.17978	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	377.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24585	1.9
57.97562	2.5
59.01368	10.1
61.98832	33.9
71.01389	44.5
71.58482	2.7
72.99317	4.8
74.60026	2.1
78.95903	5.7
79.71558	2.2
85.02955	2.3
96.96928	4.1
107.05021	5.9
115.00365	4.3
117.00443	3.8
117.03482	3.1
119.05018	10.1
133.01474	4.9
133.02922	4.5
134.03764	19.9
134.04695	4.6
135.04533	100.0
136.04836	5.2
145.27467	2.7
155.36772	2.6
161.02356	2.3
163.03992	8.1
172.97728	4.8
172.99460	3.2
173.04514	5.6
175.02513	43.6
176.02676	4.3
179.03500	60.4
180.03787	5.7
186.99455	2.8
190.01245	7.3
191.99017	2.6
193.01762	2.3
201.01718	4.1
217.00136	2.9
217.03534	10.4
218.99606	3.6
219.01517	41.3
219.97781	13.1
220.01666	7.5
229.03473	9.5
247.02798	3.5
250.26042	2.3
261.00247	4.1
261.02588	52.0
262.02670	7.5
273.02686	37.2
273.28796	3.1
274.02805	4.8
317.01468	5.3
333.04788	62.1
334.04990	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	377.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	36.6
61.98523	7.9
61.98831	100.0
65.34348	3.9
71.01376	57.1
71.21959	10.2
72.99294	26.0
73.02943	12.9
85.02960	15.4
87.00876	15.0
87.93462	3.6
89.02452	42.6
92.92780	6.7
94.92506	11.8
97.02940	8.8
101.02452	34.8
102.18687	4.4
108.90189	5.0
111.00857	9.3
113.02468	12.0
115.00380	13.9
117.01936	6.6
118.95450	3.8
119.03484	18.0
119.94707	8.4
121.94408	4.7
122.72079	4.1
126.98877	4.1
133.01411	12.3
133.02989	10.3
133.05045	8.0
134.03717	15.8
135.04552	57.4
136.98576	21.4
139.00177	7.4
143.03514	7.4
145.06116	4.2
146.96574	7.0
148.98584	8.6
154.99625	18.5
158.29062	3.8
161.02487	6.4
161.04573	46.7
168.02756	12.0
174.96515	9.3
175.02454	10.8
175.96826	7.2
176.00487	10.2
177.01955	8.5
179.03502	33.6
179.05609	51.4
179.47089	4.0
184.00192	8.3
189.01645	8.9
190.94354	8.7
190.96048	8.6
201.01727	50.4
201.98500	5.0
214.95216	8.6
217.03398	5.6
217.96136	5.8
219.01448	6.0
221.06717	21.6
228.92767	5.4
261.02426	9.2
273.02710	8.3
275.91843	5.1
302.90720	6.1
313.94449	5.9
317.02682	7.2
333.04684	14.8
341.10983	44.6
342.11386	4.4
377.08569	49.9
378.07333	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48677	2.3
59.01098	3.8
59.01382	50.5
71.05008	5.7
71.60517	3.7
108.43477	2.3
112.24596	2.2
144.99350	2.3
209.15485	2.3
226.00970	2.4
231.21202	3.5
235.17091	33.2
236.17390	3.3
275.20166	33.7
276.20383	4.6
277.21777	3.5
293.21225	100.0
294.21588	7.9
359.01175	10.4
375.21442	28.9
375.25583	5.0
376.21637	5.8
377.02225	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	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.8
57.03443	6.5
58.00592	3.8
59.01379	82.8
61.98820	2.9
69.03461	2.8
69.91566	7.8
71.01385	90.4
72.99303	8.8
73.02954	14.4
75.00867	2.7
83.01391	6.5
85.02958	23.8
87.00877	4.8
88.38609	1.4
89.02444	44.5
89.58470	1.6
95.01379	4.6
96.14312	1.5
96.96015	13.9
99.00874	7.4
101.02444	52.9
102.02769	2.3
111.00890	1.5
113.02460	26.8
114.02784	1.7
115.00389	4.7
119.03508	21.5
125.02433	1.7
127.11266	2.2
131.03473	1.7
133.01450	4.0
135.04533	1.8
143.03537	3.8
143.33035	1.4
157.12320	2.6
159.02971	4.8
161.04573	15.5
174.47690	1.4
179.05519	2.0
185.11899	1.8
191.95294	1.5
208.83788	1.4
255.08990	1.6
258.99124	2.2
259.19244	2.4
289.20001	2.3
296.10999	3.6
331.21359	8.8
332.21765	2.1
357.26547	2.6
373.25821	2.6
375.20453	22.1
375.27484	100.0
376.21036	2.1
376.27820	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	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34914	2.9
55.50496	2.6
58.56042	3.2
59.01143	3.3
59.01385	40.1
61.98824	7.4
70.58343	3.1
70.58686	9.9
71.01367	2.9
121.09428	4.0
121.10239	30.6
123.00012	3.3
127.93096	3.2
171.10283	66.6
183.13898	6.1
223.13501	2.9
231.21262	6.5
275.17300	5.7
275.20187	100.0
276.20474	12.8
278.11264	11.1
293.21240	98.7
294.21472	12.6
315.19424	58.4
316.19846	7.3
359.18243	13.5
375.21509	37.5
376.21512	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	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70515	0.7
71.35921	1.0
74.99077	2.6
82.43696	0.8
83.13621	0.8
93.00137	1.1
149.01030	0.7
149.82761	0.7
159.08476	10.4
160.08815	0.8
161.06390	2.7
209.01311	1.6
217.07227	1.8
261.04587	0.9
277.07559	3.1
289.07516	2.1
291.09113	97.9
292.09198	13.1
309.10287	1.0
312.00537	0.7
357.13745	1.8
359.15369	100.0
360.15491	18.2
369.72748	0.9
375.18497	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.57319	1.1
60.01719	1.8
61.98814	2.1
63.76594	1.0
65.07560	1.1
70.25661	1.2
71.01391	6.4
74.02478	20.9
75.02805	2.4
79.95734	3.0
80.96557	1.8
89.02466	4.8
96.96002	6.8
98.02470	3.2
98.95659	1.1
101.02416	2.1
103.79743	1.2
113.02448	1.8
116.03552	14.7
116.05084	11.5
117.03884	2.1
117.05410	3.7
119.03512	2.2
127.05131	1.5
128.03590	1.6
133.06531	1.1
145.06189	1.3
200.07544	2.5
258.11118	2.2
285.52628	1.3
299.12729	1.3
331.13547	1.4
331.63757	3.2
332.14035	1.9
333.14285	3.9
345.02603	2.2
360.04874	3.3
374.76135	1.1
375.07208	3.0
375.15350	12.8
375.21976	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99604	1.2
58.27036	1.1
59.01390	7.5
61.98826	1.4
63.85434	1.2
68.42304	1.3
70.03892	6.1
71.01383	12.5
80.81228	1.1
80.91692	1.7
87.48134	1.2
88.51790	1.5
96.95984	1.6
99.92591	3.2
115.92069	1.7
158.89317	1.5
159.89397	2.3
177.09190	4.3
190.09966	1.8
192.11604	7.7
202.21606	1.4
205.12358	3.8
207.13982	2.6
218.09445	2.7
220.14691	42.6
221.15468	100.0
222.15800	8.9
235.13440	1.8
236.10533	93.6
237.10907	6.7
293.17563	40.2
294.17783	3.9
318.09442	2.9
358.08606	4.3
359.15460	3.0
375.17804	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	375.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85518	0.6
61.21660	0.7
72.72723	0.6
74.70900	0.5
74.99082	2.6
80.96523	1.2
93.00144	1.0
139.52098	0.7
159.08476	9.1
160.08479	0.7
161.06451	3.7
179.93919	0.6
191.34435	0.6
192.98036	0.7
209.01295	2.2
217.07289	1.6
255.25502	0.7
275.05933	1.6
277.07510	3.0
289.07510	2.2
291.09119	100.0
292.09293	15.8
357.13754	2.1
359.15366	97.3
360.15536	19.8
362.28635	0.7
375.18524	6.8
376.18436	1.4
377.16513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1311
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
59.01385	4.4
69.43084	3.4
71.01387	1.8
74.02486	1.2
89.02448	0.8
98.20647	0.7
101.02451	0.7
102.05574	0.4
114.05613	1.8
115.00343	0.5
122.03717	0.6
128.03519	0.6
133.89122	0.4
144.08168	1.7
145.07753	0.7
146.04611	0.9
149.02437	2.1
150.03276	2.0
161.02368	0.5
164.04787	0.5
165.05588	3.0
169.07726	1.1
172.00644	0.4
175.73802	0.4
180.68066	0.4
184.08792	3.1
189.09250	0.6
193.19064	0.4
195.06630	1.4
197.05904	1.7
198.06718	3.7
212.08307	22.1
213.08612	1.3
240.06584	2.6
241.07332	11.4
242.07620	0.7
255.08882	100.0
256.09198	7.8
257.10367	1.3
258.99084	0.8
259.11887	0.5
260.10226	0.5
327.12305	1.1
341.11676	0.8
345.13400	0.6
346.14127	0.5
347.78748	0.4
375.00397	0.8
375.06656	0.4
375.08353	0.6
375.12964	5.7
375.16849	0.7
376.13736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97561	2.5
59.01382	2.4
61.98832	0.5
63.65589	0.3
63.96246	0.6
69.43556	2.3
69.43964	0.6
71.01397	0.9
74.02505	0.4
77.71721	0.4
79.95786	0.6
81.04599	2.1
85.01182	0.5
95.95274	0.5
96.96016	3.9
98.19873	0.7
98.95632	0.8
103.02241	3.7
115.03381	0.7
115.07677	0.4
116.05076	0.6
117.05412	0.6
126.99572	0.3
127.05128	0.4
141.45963	0.4
143.38037	0.4
156.10310	100.0
157.10661	5.6
161.06723	0.4
200.12939	36.2
201.13278	2.6
215.00229	0.6
258.99121	0.8
293.16446	0.4
331.15158	1.6
331.63983	0.8
332.13708	0.5
375.14151	2.7
375.21866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06418	1.1
59.01376	4.1
69.15777	1.0
69.29973	9.2
69.30376	1.4
71.01398	6.1
72.51727	1.1
79.95737	12.6
80.96526	10.0
89.02457	1.2
95.05020	1.2
102.29520	1.3
105.03487	1.3
107.05032	3.5
108.40823	1.0
115.00378	11.1
119.05057	1.3
123.04491	2.2
126.36663	1.1
133.01439	9.3
133.02960	7.4
135.04524	29.9
136.04852	1.4
151.04053	2.6
161.02454	70.7
162.02789	4.8
177.01900	2.6
179.03549	1.7
215.00198	70.0
216.00455	3.2
240.98129	19.6
241.98683	1.5
258.99164	100.0
259.11670	1.5
259.99475	5.9
362.48730	1.2
375.00269	47.6
375.17432	1.2
376.00568	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	375.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97566	17.8
59.01372	1.4
66.56026	0.6
66.86643	0.5
67.03018	22.6
68.05048	0.8
69.71037	1.2
69.71442	2.5
71.01396	1.5
77.41911	0.5
84.74540	0.6
86.02489	5.0
93.04578	4.4
96.08189	1.6
96.96069	0.7
101.01799	24.5
107.04972	0.5
113.04324	6.4
121.07717	2.5
122.09765	6.5
139.27281	0.5
153.04935	17.0
154.05228	0.7
155.06509	1.5
156.08543	1.2
157.04410	0.5
172.12189	0.5
200.07512	100.0
201.07822	5.6
207.09529	1.1
217.04765	7.1
259.13446	0.9
261.03766	1.5
271.09433	0.9
335.97742	0.5
375.08755	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	374.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
61.98827	4.5
97.91516	0.6
101.06074	1.4
151.99806	0.8
173.51682	0.6
193.86961	0.7
232.10925	10.0
233.11111	1.1
289.17953	1.5
290.18799	3.2
316.16580	1.3
358.21426	0.9
374.24481	100.0
375.24899	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	374.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05290	0.2
50.08628	0.2
59.01384	1.6
61.98824	0.3
67.67323	0.2
71.59686	0.2
80.55659	0.2
89.04131	0.2
101.06088	1.4
115.46440	0.2
124.07690	0.5
161.02477	0.3
165.10295	0.3
176.13153	0.2
189.10368	0.6
190.66473	0.2
231.10097	0.2
232.10918	10.2
233.11252	0.7
258.99075	0.2
260.10413	0.3
272.17310	0.2
274.15631	0.3
276.09915	0.4
289.17926	1.6
290.18762	2.8
316.10941	0.2
316.16751	1.7
318.17984	0.2
358.21213	1.0
359.21286	0.2
374.24478	100.0
375.24808	15.0
375.29730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34092	1.4
59.01382	100.0
61.98821	2.8
71.60115	2.4
76.50916	1.9
79.95775	2.0
96.96000	2.1
108.99268	1.6
110.05780	1.6
135.93430	1.6
232.11176	2.1
257.67480	1.8
374.24481	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	374.1974
Annotation	DHEA-7-CMO
Peak:m/z	Relative Intensity
55.21863	0.6
59.01360	0.7
61.98832	1.6
64.29636	0.6
68.01395	0.6
68.99827	8.3
69.29174	0.5
70.02975	1.2
70.08498	2.7
71.01374	1.6
79.95717	0.6
80.51741	0.6
81.02202	2.6
83.00129	5.6
94.06640	5.3
96.00912	0.7
96.99310	6.0
99.00889	7.7
105.21862	0.6
108.04521	0.6
109.01705	30.8
110.01993	0.9
112.00475	0.7
113.01177	0.9
121.05376	0.8
122.06141	0.7
124.00375	1.3
125.34508	0.6
134.06113	0.8
137.01176	2.6
140.03586	3.3
149.04854	1.0
159.77579	0.6
163.10704	0.6
173.03270	0.8
200.05652	1.6
212.14383	0.9
214.15982	0.6
228.17644	1.0
229.15933	0.7
240.17604	0.7
241.16026	1.0
242.15535	1.5
242.19164	2.0
250.07158	1.3
256.16968	1.0
258.18665	3.3
258.69260	0.6
268.17169	1.8
270.18655	1.2
286.18124	6.1
296.16531	0.9
314.17639	22.3
315.17740	3.2
329.66840	0.6
374.19727	100.0
375.20081	14.4
392.15939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49251	2.3
66.03501	4.6
69.92635	7.8
69.93047	5.0
82.02979	11.3
87.52550	2.0
102.05064	2.1
106.39912	2.4
110.02485	57.0
111.02011	15.7
117.01944	3.0
122.02494	3.3
124.86369	2.1
130.08740	89.9
131.09065	4.0
132.03040	2.2
140.03496	5.5
152.03535	6.6
153.03070	4.7
200.05669	22.3
228.17430	2.2
243.06215	100.0
244.06496	8.3
281.54898	2.1
282.30899	2.5
391.88040	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	373.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90989	1.5
57.03452	2.2
59.01381	18.3
66.15562	1.5
69.46471	13.0
72.23580	1.4
97.06560	1.7
98.19779	2.4
101.77084	1.4
116.05074	2.9
121.10242	15.6
125.09721	6.3
178.38148	1.6
185.11870	12.6
197.11829	3.3
207.10025	3.1
209.11884	1.7
211.13448	1.8
243.17430	1.8
245.19034	8.4
291.19690	65.0
292.20053	7.1
313.17853	100.0
313.60522	1.4
314.18265	12.1
359.82132	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	373.2092
Annotation	Lys Leu Asp
Peak:m/z	Relative Intensity
59.01377	2.3
61.98831	23.0
69.62390	8.4
71.01389	36.3
82.02952	1.6
82.06593	1.8
88.04050	44.1
96.96008	1.4
98.02468	1.9
110.02487	2.3
115.00382	50.8
117.00465	1.5
118.96691	1.5
127.08860	1.8
129.10347	10.1
130.08755	18.8
131.08270	2.4
132.03040	19.8
144.07542	1.3
144.11444	11.6
145.09892	2.6
154.09833	1.6
157.13429	2.8
172.97701	1.8
186.99255	1.4
200.17670	1.6
202.85333	1.4
210.16090	1.8
212.17705	4.8
214.19225	5.3
214.98769	3.6
218.07098	1.5
223.04854	1.2
239.18773	3.9
240.17177	10.3
243.06232	8.6
246.06772	1.4
257.19843	83.8
257.87012	1.3
258.18118	45.0
259.18472	3.1
286.96979	1.8
302.98880	1.7
329.22003	15.5
330.22086	2.4
330.98322	2.1
338.17294	4.6
355.19843	4.1
369.63272	1.6
372.97647	2.5
373.20941	100.0
374.21262	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	373.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.1
70.28091	0.3
70.95229	0.4
70.95555	0.6
71.01392	6.9
72.99320	0.7
74.02505	0.8
75.00882	1.5
79.95741	1.5
83.01416	0.8
83.05051	0.4
87.00881	12.5
96.96030	1.4
98.95596	1.0
99.00847	0.4
113.99585	0.8
115.00385	12.0
116.05070	100.0
117.04659	0.5
117.05408	4.9
127.05135	0.5
142.06607	2.8
144.08203	4.5
145.06197	0.4
145.59007	0.4
154.06680	0.6
156.08218	1.1
170.06146	0.9
174.97470	0.4
181.05272	0.5
182.06071	0.5
184.07625	0.5
194.06081	0.6
203.08401	0.5
213.09167	1.2
223.06076	0.4
243.09315	2.7
244.09966	0.7
245.10883	24.2
246.11168	2.4
254.08408	1.3
255.09283	7.0
256.09894	1.8
257.10846	14.5
257.17645	1.2
258.11136	2.1
267.09354	0.6
268.09729	0.4
269.10886	0.6
271.12408	3.7
273.14011	3.2
283.12396	1.6
293.11267	0.4
297.10318	1.1
301.13531	2.4
311.11963	5.2
312.12131	0.8
315.11273	0.9
329.12933	1.5
331.13782	0.7
344.62015	0.5
373.11926	27.2
373.25772	0.9
374.12216	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	373.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95790	1.0
57.01947	1.0
59.01365	2.1
59.05434	1.0
62.83665	1.2
70.33488	3.2
70.33845	2.2
71.01386	28.8
72.99335	1.0
76.63563	1.1
96.27097	1.1
96.88476	1.0
96.95980	2.6
115.00377	26.2
133.01440	29.5
135.04494	2.3
145.64159	1.1
159.04469	2.0
171.04573	2.4
174.03261	2.8
175.03839	1.1
180.05887	1.6
181.06728	1.2
183.04539	3.8
184.05301	14.6
185.06093	7.5
187.04012	24.9
188.04599	2.0
195.08244	1.6
197.06096	24.7
198.06824	11.6
200.04796	1.4
212.08282	1.1
213.09215	91.7
214.09543	6.5
231.10254	57.3
232.10603	5.1
257.08191	100.0
258.08499	9.0
321.79306	1.0
323.43661	1.4
341.04691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01410	0.5
53.00296	0.7
55.01884	3.3
59.01369	2.1
61.38604	0.5
61.98839	0.5
66.84954	0.5
68.99847	0.6
69.04276	0.5
70.65927	0.5
70.66300	2.0
71.01385	4.6
72.99296	0.6
79.25143	0.5
81.42738	0.5
83.00897	1.0
83.01391	15.9
87.00891	4.0
99.00865	1.3
101.02422	0.6
113.98814	1.0
113.99596	13.4
114.85757	0.6
115.00385	42.9
116.00706	0.9
116.05071	100.0
117.05401	5.3
118.69576	0.6
127.00387	5.7
130.06660	0.9
132.04559	1.2
142.06630	4.6
144.04562	1.6
144.08185	2.2
146.06131	0.9
153.05896	0.8
154.06638	2.4
156.75899	0.6
158.06042	1.3
160.04089	1.0
168.04582	1.2
170.06114	2.1
172.07686	0.9
182.06128	2.6
188.07216	1.6
200.07210	4.6
216.06711	3.5
243.09241	0.9
244.06151	7.4
245.10831	17.3
246.11145	2.0
255.09317	1.6
257.10806	3.2
257.17578	1.0
271.12408	1.5
273.13928	1.2
311.11942	1.5
337.18521	0.6
338.12292	0.7
373.11996	17.9
373.16193	0.6
373.20117	0.9
373.25085	0.6
374.12326	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.3
59.01390	9.9
60.66579	1.2
71.01390	21.5
71.05038	1.6
72.99329	5.7
73.02969	1.5
83.05021	1.3
85.02956	1.4
87.00900	3.7
89.02456	4.3
96.96016	2.9
97.06624	1.5
98.19831	1.7
99.00865	0.9
101.02477	2.1
109.02979	1.4
111.39887	0.9
113.02476	1.4
115.00382	42.7
116.05099	1.4
121.02965	2.2
125.09770	1.3
133.01447	100.0
134.01781	2.4
135.04446	1.0
137.09781	0.8
163.03954	1.1
167.14435	1.1
169.15952	1.0
171.10234	0.8
183.04610	1.5
211.13338	1.4
212.69106	0.9
213.09209	8.4
213.14940	7.9
229.09531	0.9
229.14447	2.8
239.16447	2.1
257.17725	1.2
271.19135	1.0
285.20898	2.2
288.19540	1.2
293.17374	1.1
313.23938	2.5
325.23889	2.0
353.53598	1.0
372.24921	0.9
373.05432	0.8
373.21350	1.6
373.25998	29.5
374.26462	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	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97074	14.0
59.01381	35.4
61.98831	100.0
119.67031	14.5
121.50704	16.4
178.53436	16.9
251.60127	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	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87953	27.3
59.01382	100.0
59.18136	26.1
60.00764	25.3
62.36965	28.6
70.06100	98.1
70.06508	52.8
70.57098	25.3
86.03382	22.2
165.75679	25.2
184.38963	26.7
211.13330	56.4
251.80153	27.9
286.70337	26.4
287.38736	36.5
294.48096	30.3
373.20084	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.7
59.01100	1.4
59.01385	24.3
61.98837	8.0
70.00468	3.0
70.00844	1.4
71.01387	18.0
71.02509	0.7
72.99300	1.9
78.95946	1.0
81.03481	0.9
83.01411	1.2
85.02955	3.4
88.04073	3.9
89.02448	10.4
91.01906	1.3
95.01396	1.9
96.96009	3.3
97.60658	0.7
98.20583	0.8
101.02439	8.0
108.02176	7.6
109.02989	1.8
111.00909	1.8
113.02429	3.8
115.00376	3.9
119.03510	2.6
119.05019	1.2
123.00893	2.2
123.04526	11.5
124.01645	1.0
127.05158	0.8
128.03543	1.4
130.08759	1.2
132.03032	1.5
133.01443	3.2
137.02425	1.0
140.70415	0.9
150.03227	1.3
151.00331	1.8
152.01184	15.0
153.01909	2.4
166.02740	3.1
167.03508	20.9
168.03864	2.1
171.08977	0.7
177.01950	1.9
178.02705	4.6
181.05136	3.5
181.38770	0.7
181.63599	0.8
193.05049	10.2
194.02200	1.0
194.05437	1.0
195.03035	1.3
209.04593	6.4
211.02495	12.7
211.06097	2.3
253.03488	2.2
257.01196	1.7
257.19806	2.6
258.18317	1.6
313.05643	2.6
329.18320	1.5
338.13776	0.8
349.44080	0.8
358.05411	1.4
373.07755	100.0
373.20752	5.7
374.08105	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	371.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.9
67.89060	0.4
69.69347	0.5
71.01385	2.2
71.60262	0.7
71.60728	0.8
73.02947	0.9
74.02497	0.6
79.95732	1.0
80.96505	0.7
82.97951	0.4
85.02954	2.3
85.06618	0.6
87.00884	1.9
87.04515	1.4
89.02444	1.0
91.04025	1.9
91.94347	0.5
94.98113	1.6
95.95268	0.6
96.96022	13.4
99.04483	0.6
100.62579	0.4
109.02966	0.6
111.00877	0.9
112.01627	0.4
116.05064	1.4
135.04515	1.1
143.07141	0.9
150.55087	0.5
164.98677	0.8
167.10788	0.7
186.07008	0.6
207.17683	0.9
209.02904	1.2
209.19202	1.0
211.07613	1.4
214.06383	0.7
215.07178	0.5
229.08702	1.3
230.09332	0.7
235.17020	4.6
253.18100	100.0
254.18445	8.7
261.14948	3.4
279.16043	12.4
280.16391	1.4
285.11816	1.3
297.17047	6.5
298.17523	1.0
306.63977	1.0
307.14871	0.6
325.18329	0.6
337.17642	1.1
353.19757	2.3
371.14023	6.4
371.20752	45.9
371.66873	1.4
372.14447	1.0
372.21088	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	372.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76643	3.7
54.56608	3.5
59.01369	12.3
59.19820	3.8
62.31123	4.0
62.86758	4.1
64.76445	3.7
70.05809	8.8
70.06197	10.3
71.01383	21.0
78.94714	4.3
89.02469	5.1
96.95991	9.5
99.00885	9.5
113.99583	14.0
115.00372	100.0
116.00734	4.2
116.05065	98.0
117.05389	4.7
128.73195	4.3
133.01431	16.1
135.04539	9.2
142.06572	9.9
145.06148	4.3
166.19525	3.9
167.01768	23.3
169.12309	7.7
175.02525	7.5
186.05528	8.0
188.07095	6.4
193.04988	4.7
200.07124	10.5
211.00636	14.8
239.27896	4.2
244.06165	66.6
245.06487	7.8
331.18396	4.2
373.12656	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	371.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83824	0.9
57.03446	4.6
57.97561	1.6
59.01381	8.1
61.98848	1.6
71.01384	19.2
71.59921	1.0
74.00714	1.6
74.02453	1.2
78.59702	0.9
79.30959	0.9
83.05032	11.0
85.02945	1.2
85.06599	9.2
87.00851	1.2
100.00418	8.4
109.02970	1.1
115.00377	10.2
115.92081	4.0
121.06598	1.8
123.08185	9.5
125.55839	0.9
133.01447	1.5
135.04524	1.1
139.07683	2.1
141.09195	4.6
141.10178	0.9
149.06047	5.8
157.08688	6.9
167.07149	3.4
175.01822	1.0
185.08177	4.9
193.02863	3.6
209.03008	4.2
211.07529	1.1
255.16029	100.0
256.16376	8.7
265.89041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1138
Annotation	Clauslactone P
Peak:m/z	Relative Intensity
57.03437	2.3
57.97549	3.9
59.01381	16.1
62.68885	1.8
70.17561	5.2
71.01382	7.8
72.99305	2.2
75.60480	1.8
78.02927	1.6
80.62650	1.7
85.02940	7.5
85.03435	1.9
87.00867	3.6
89.02467	2.1
91.04049	3.9
93.03445	3.0
96.96008	3.3
97.06558	4.5
106.30405	2.0
108.02178	3.9
109.06584	3.7
111.00842	2.7
115.00356	2.2
119.05039	15.5
121.02952	3.9
123.04478	2.7
124.98795	2.2
133.01398	2.1
134.03770	2.3
135.04503	5.0
135.08148	2.6
137.09689	2.2
142.99861	4.4
147.04527	47.6
148.05322	37.8
149.02386	2.6
149.05635	4.1
150.03226	5.5
151.03987	6.2
153.09160	2.3
159.04507	2.8
160.05269	2.9
161.06073	11.6
162.03259	4.3
162.06841	3.1
163.03990	2.7
163.07640	8.4
164.04774	2.0
165.05629	2.1
165.09160	2.2
175.04022	3.1
176.04782	13.1
179.03432	5.4
180.04262	5.5
181.08673	10.3
187.07614	2.1
189.05594	6.1
190.06339	1.9
191.03510	84.6
191.07135	79.0
192.04169	9.0
192.07423	4.1
193.05023	4.5
194.05856	9.7
203.07172	2.2
206.05815	10.8
207.08282	2.3
209.02997	6.8
211.07683	2.5
217.15981	2.1
220.03783	16.6
224.03214	16.1
233.04492	10.0
234.05292	7.4
235.06053	27.8
236.06528	2.2
238.04785	34.5
239.07216	3.8
250.06210	3.3
251.07216	10.8
252.07697	2.6
261.14990	5.3
264.07867	2.2
267.06613	15.5
268.07471	13.7
279.06619	12.3
279.15945	8.4
280.06775	2.9
282.08911	5.9
283.09723	5.8
283.13342	5.1
294.05280	5.0
294.08966	8.1
295.06094	4.7
297.11328	3.2
297.17032	9.3
299.12888	4.2
309.07611	10.2
309.15054	2.1
310.08380	3.2
311.05655	2.3
311.12939	2.1
312.06363	6.1
322.08411	5.5
323.05511	13.5
327.08618	10.9
327.12378	18.8
327.15927	3.1
328.09204	2.9
338.08011	14.2
339.08633	4.7
341.10239	19.6
342.10895	2.2
353.10324	46.2
354.10767	4.2
371.11310	100.0
372.11566	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	371.1136
Annotation	Clauslactone P
Peak:m/z	Relative Intensity
51.97429	0.5
57.97535	0.6
59.01333	3.2
61.54732	0.6
70.34383	0.5
70.77375	0.6
70.94684	1.1
71.01363	3.8
85.02908	1.6
93.03436	1.3
95.95215	0.7
96.96011	6.7
101.02432	0.8
108.02198	2.8
109.02881	1.3
113.02448	0.6
117.03432	0.8
119.04268	0.8
119.05029	11.6
121.02967	7.4
123.04468	1.8
132.02129	0.9
133.01381	1.1
133.02934	0.7
133.06508	0.8
134.03680	1.4
135.04457	1.8
145.02931	4.3
146.03720	1.5
147.04530	31.0
148.05324	25.2
149.02400	2.1
149.05829	0.9
150.03246	3.5
151.04045	2.9
152.70695	0.6
153.05554	0.8
158.03659	0.9
159.04460	1.8
160.05234	2.4
161.06078	8.5
162.03218	4.7
162.06783	2.5
162.98518	1.0
163.03882	1.8
163.07585	2.0
164.04718	2.0
165.00027	0.8
165.04012	1.6
165.05476	1.2
167.08614	1.1
173.02310	1.0
174.03119	1.7
175.03937	1.7
176.03554	0.6
176.04832	7.8
179.10722	2.0
180.04269	4.8
188.04533	0.7
189.05579	3.1
190.06288	1.4
191.03513	51.2
191.07133	45.4
192.04146	7.2
192.07523	3.3
193.04875	1.8
193.06586	1.9
194.05833	6.9
194.07430	0.9
195.04478	1.7
195.08083	4.9
196.05263	1.3
197.05965	2.1
205.04933	1.1
205.06641	1.1
206.05757	5.4
206.07397	1.8
207.06500	1.0
207.08170	5.9
208.05290	1.0
208.08762	0.9
209.02994	1.5
209.06116	4.1
210.06570	1.0
211.03897	0.8
211.07640	5.5
212.04681	0.8
219.04532	0.7
219.08043	0.9
220.03732	8.5
221.04074	1.1
221.06015	6.8
222.06731	3.5
223.07620	9.0
224.03130	8.3
224.04697	0.9
224.07986	1.1
225.05515	2.1
233.04257	5.1
233.06396	1.4
234.04837	3.5
234.06943	2.5
235.03668	1.2
235.05791	14.3
235.07875	3.6
236.06316	0.9
236.08327	1.3
237.05579	5.8
237.09280	0.8
238.04701	20.4
238.09921	0.7
239.07137	14.4
240.07425	2.2
241.08904	0.7
247.05954	1.4
248.04630	1.4
249.05580	9.3
250.06273	9.2
251.07123	38.0
252.05093	0.8
252.07539	5.3
253.04956	1.1
253.08766	0.7
261.05536	2.6
262.06259	4.8
263.07114	15.1
264.07889	6.0
265.05133	3.5
265.08411	3.5
266.05811	5.4
266.09286	1.3
267.06619	64.7
268.07227	12.3
269.07819	1.3
276.04395	0.9
277.05051	2.1
277.08633	2.1
278.05792	3.4
278.09354	2.0
279.06622	40.1
279.09952	1.3
280.06982	4.6
281.05136	0.7
281.08136	3.4
282.08966	19.6
283.09525	5.7
284.10303	0.8
293.04843	1.2
293.08167	2.9
294.05344	15.0
294.08969	14.1
295.06076	18.6
295.09241	1.3
296.06351	1.3
297.07825	1.7
297.11221	10.9
298.08344	0.7
298.11703	1.3
299.12878	2.7
300.12952	0.7
306.05240	1.3
307.06131	8.5
308.06735	2.5
309.07715	33.6
309.11169	1.9
310.08304	9.5
311.05679	6.4
311.09076	1.0
312.06433	3.3
321.07526	5.0
322.08459	15.2
323.05637	40.1
323.09109	5.0
324.05984	3.8
324.09286	0.9
326.07944	16.7
326.11566	1.2
327.08630	7.4
327.12424	6.8
328.09207	0.9
328.12747	1.2
337.07217	6.9
338.07947	48.9
339.08347	5.9
341.10291	83.8
342.10638	11.0
353.10306	100.0
354.10608	14.0
371.11322	31.2
371.23947	0.7
372.11676	5.6
387.53110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
57.03458	6.9
59.01379	6.9
68.99818	1.2
70.64445	2.4
71.01389	9.6
72.99308	2.8
75.00869	2.6
83.01395	1.1
84.02164	2.3
85.02957	68.2
86.03297	1.8
87.00891	1.5
89.02437	5.5
101.02433	1.2
103.00368	0.9
109.50520	0.7
111.00922	4.2
115.00420	1.3
129.01944	6.0
133.01416	5.3
135.04533	1.9
147.02991	4.1
173.00882	2.0
191.01979	25.4
196.42847	0.7
206.08931	0.9
209.03032	100.0
210.03343	4.9
217.65877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0772
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
57.97571	0.5
59.01385	1.4
61.98820	0.4
70.60553	0.5
70.60889	0.5
71.01377	0.5
93.03484	0.4
98.00719	0.4
99.92590	0.3
100.00341	0.3
115.92076	0.3
121.02962	100.0
122.03305	4.1
149.02444	0.8
162.91409	0.3
163.97299	0.3
179.03506	10.7
180.03836	1.0
181.06656	0.6
196.62360	0.3
197.06070	0.3
209.02971	0.3
225.05611	0.5
238.65367	0.3
239.07086	0.3
371.07721	12.6
371.24240	0.3
372.07980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2643
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
51.21939	0.4
51.57858	0.4
55.11954	0.4
65.98546	0.5
68.05270	0.5
70.35683	2.1
92.83886	0.4
133.06587	1.8
149.09723	72.2
150.10081	4.1
205.15970	76.4
206.16328	6.1
228.66571	0.6
234.61592	0.5
285.21219	0.5
367.26419	100.0
368.26767	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	369.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53981	1.4
57.03180	2.7
57.03451	31.7
57.17310	1.7
57.97555	2.5
59.01382	6.9
61.98829	6.2
70.52987	2.7
70.53388	3.5
70.76525	1.5
71.01389	87.6
71.05022	1.9
71.14777	1.5
73.02951	15.9
75.10978	1.4
81.03450	1.5
83.01404	1.9
83.05025	3.9
85.02974	2.8
96.44832	1.7
96.96027	3.5
97.06622	2.7
101.06113	2.5
108.39980	1.4
114.08959	1.4
115.00378	42.0
115.03257	1.3
115.04008	1.8
123.08160	9.2
130.08736	4.2
133.01424	3.6
145.06093	1.9
147.11800	15.6
149.13425	2.1
155.08264	3.8
156.08568	2.4
165.12836	5.8
173.13351	22.2
174.13670	2.2
191.10851	3.4
191.14444	4.2
209.11856	9.8
209.15486	3.8
235.13391	17.9
253.14441	100.0
254.11172	2.1
254.14804	9.0
306.10345	2.0
348.13864	1.6
369.14783	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19478	1.3
57.03456	27.5
59.01375	5.3
61.98824	4.3
71.01389	76.3
71.05042	2.6
72.01723	1.7
73.02962	13.3
78.84319	1.4
80.52520	1.4
83.01429	1.8
83.05029	2.5
85.02966	4.3
87.04542	2.0
89.97414	1.3
94.47009	1.3
94.76591	1.2
95.20228	1.2
95.95216	1.8
96.96036	3.9
98.19801	1.8
101.06129	1.9
107.08647	2.1
115.00383	40.7
115.04031	1.7
120.50983	1.3
123.08172	7.2
130.08740	5.0
133.01459	3.3
135.11777	1.9
145.06160	1.8
147.11818	16.4
149.13312	1.9
155.08275	2.3
156.08632	2.0
165.12817	4.0
173.13371	25.1
174.13734	2.3
179.10786	1.5
180.99602	1.9
191.10802	2.1
191.14398	4.0
209.11864	8.3
209.15504	1.5
235.13397	21.4
253.10991	3.3
253.14467	100.0
254.14799	10.3
260.02002	1.3
306.10434	1.9
369.15424	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	369.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76162	0.3
54.11298	0.3
55.90516	0.3
59.01378	1.3
61.98816	0.8
69.50510	0.3
71.01380	1.6
71.60001	0.5
74.02481	0.5
75.28780	0.3
78.43139	0.3
78.95903	3.1
80.96511	0.4
85.02956	1.4
96.96029	1.0
110.98537	3.7
115.00404	0.5
133.01465	0.5
133.02982	0.4
137.09805	0.3
143.04642	0.6
155.14406	3.7
167.01242	0.8
183.13921	1.2
185.02222	3.0
199.13406	0.6
201.14970	100.0
202.15343	6.9
234.14983	1.6
235.06145	0.4
253.14590	0.5
299.01059	0.4
306.07669	1.2
361.63776	0.4
369.09711	0.5
369.16827	10.0
370.17838	1.2
370.23853	0.4
386.67929	0.3
386.84607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
60.25837	0.5
61.48935	0.6
62.92451	0.5
63.67812	0.5
71.08944	1.0
96.96030	1.1
105.49968	0.5
121.02959	1.0
140.65591	0.5
143.74132	0.5
147.04518	1.7
148.05310	100.0
149.05611	5.9
163.07655	65.9
164.07935	3.6
278.11725	0.5
367.10669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09973	0.7
55.23447	0.7
59.01388	3.3
59.07661	0.6
71.01378	0.9
71.60336	1.0
83.05013	1.2
89.02406	0.8
93.30444	0.7
108.04333	0.7
117.01916	1.0
119.62673	0.7
120.13338	0.7
135.02946	1.1
156.68259	0.7
205.19630	1.1
229.60326	0.8
249.18596	100.0
250.18947	10.0
298.80740	0.7
334.33832	0.7
367.21234	1.4
370.78326	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.9
71.30887	2.7
73.64355	1.8
76.47444	1.6
86.47525	1.6
91.56767	1.6
119.37377	1.7
123.04453	1.6
165.09186	2.1
189.12790	5.3
223.12781	1.8
249.18614	60.6
250.19003	6.7
259.26230	1.7
261.22189	3.5
287.20129	2.8
293.21301	13.7
305.21243	100.0
306.21545	13.4
323.22202	11.2
349.23782	5.4
367.24860	15.1
388.74994	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97896	0.7
57.97559	1.1
59.01381	12.2
60.01699	0.8
61.98822	1.1
70.01140	4.0
71.01382	2.2
86.91375	0.7
89.02451	2.8
91.04019	13.2
91.27987	0.9
95.05019	1.3
97.70824	0.7
98.20676	0.9
100.23534	0.8
102.19787	0.8
111.04103	0.8
179.14378	1.5
191.14423	0.8
195.13922	9.2
196.14511	0.8
211.13380	0.8
223.13428	5.7
256.12985	1.8
261.11008	1.3
262.11868	2.6
275.20160	6.9
293.21252	100.0
294.10904	1.2
294.21585	11.6
331.18869	2.4
367.26282	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0971
Annotation	Indolylmethyl-desulfoglucosinolate
Peak:m/z	Relative Intensity
54.07145	0.9
57.03434	1.3
59.01382	7.8
69.75352	4.2
71.01388	4.1
73.29873	0.8
73.98324	1.3
74.99102	100.0
84.04544	0.8
85.02962	3.7
89.02472	1.3
91.54710	0.8
101.02462	1.9
102.05612	7.4
102.06176	0.8
111.00889	1.3
115.00356	1.6
119.03504	2.8
128.03519	1.0
129.48154	0.8
133.01443	2.6
134.03766	1.6
135.04544	2.0
175.04068	1.2
193.05067	1.2
195.03319	6.3
204.06674	7.0
205.04407	25.4
205.07181	1.5
206.04771	1.7
221.09271	1.9
235.59106	0.9
240.21396	0.9
255.31773	0.8
264.08615	4.2
290.10413	5.0
307.13275	1.5
367.15201	10.8
368.13388	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	366.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76225	0.6
57.97569	1.3
59.01371	0.8
61.98834	100.0
67.70650	0.6
69.85479	2.5
71.01418	0.7
116.60844	0.6
133.01404	0.7
141.46472	0.6
142.99922	1.7
144.75705	0.7
145.06155	3.4
164.62689	0.7
167.07101	0.7
174.01672	0.9
181.08618	0.7
193.99951	0.7
203.82904	0.6
204.05246	0.6
286.06949	1.1
298.85388	0.8
304.08069	1.7
360.12741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94422	1.0
53.75230	1.0
57.16882	1.0
57.97567	1.4
59.01391	8.5
59.80937	1.3
61.98833	100.0
62.77602	1.0
71.01389	8.1
71.59795	1.3
72.99324	1.6
85.02960	1.9
89.02475	3.3
96.96003	2.2
101.02441	2.4
104.42442	1.1
113.02493	1.9
115.00421	1.4
119.03558	1.5
134.09750	1.2
144.01465	1.1
167.28127	1.1
174.01662	1.4
190.12352	3.5
205.12390	2.7
213.43393	1.0
306.13507	1.5
357.65582	1.1
366.15445	7.6
367.17395	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70664	0.6
61.98833	100.0
69.47467	5.1
69.47790	0.8
84.30267	0.6
88.22628	0.6
89.40346	0.6
89.70612	0.7
96.23645	0.7
98.20638	1.2
108.61469	0.7
236.69759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44691	1.0
59.01384	1.8
61.98836	100.0
62.84689	0.9
70.34990	3.0
71.01385	2.8
80.41254	0.8
80.93719	0.8
85.37472	0.7
100.04014	1.0
111.00896	5.4
112.01234	2.4
130.05042	1.4
133.01422	1.1
208.02777	1.1
264.00241	1.0
341.15298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	35.2
59.50653	29.3
61.98829	100.0
63.69497	27.1
67.43299	27.8
70.74505	29.2
71.59774	45.5
77.58955	30.5
79.83146	27.2
81.16129	25.4
124.03035	26.8
283.26306	44.5
354.27368	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
55.46382	1.1
58.69649	1.3
59.01378	4.3
71.60808	1.4
106.55021	1.5
116.92877	1.9
119.88721	1.3
184.76732	1.2
224.04153	1.4
277.17288	1.3
280.47586	1.1
283.26450	2.2
333.24356	5.3
343.73279	1.3
365.26974	100.0
366.27322	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	366.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69696	0.4
70.70102	0.4
75.23465	0.2
77.87088	0.3
116.04274	0.2
116.05067	3.9
124.52821	0.2
132.04544	0.4
159.03319	0.5
159.32074	0.2
160.04045	100.0
161.04396	5.4
180.85965	0.2
204.03027	4.4
205.03307	0.4
227.51575	0.2
230.18788	0.2
333.26178	0.2
366.08289	17.8
367.08676	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	365.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40663	1.3
57.97567	1.6
59.01380	7.7
60.86607	1.4
61.98822	3.1
67.36887	1.4
71.01369	1.6
71.59834	1.2
71.60278	1.7
83.05035	2.5
88.42781	1.5
93.33543	1.1
95.16447	1.3
96.96011	1.4
96.96943	1.3
98.04829	1.5
100.19456	1.4
109.26172	1.2
111.08137	4.1
111.16355	1.4
121.10232	4.1
125.09727	2.2
146.96613	1.9
150.17967	1.4
173.73375	1.2
177.12758	1.8
179.10750	1.8
185.02109	1.4
185.11880	3.6
195.13887	4.4
196.88200	1.4
209.11864	1.5
247.20677	2.5
252.05417	1.7
273.18628	2.4
291.19669	100.0
292.20068	11.5
338.72055	1.5
365.23410	3.1
366.26410	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	365.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01384	7.5
71.60620	1.3
111.08168	10.4
118.93156	0.9
153.12842	1.1
167.10750	2.3
177.12938	1.6
179.10809	2.1
195.13896	6.1
247.20667	2.5
273.18652	2.0
278.75729	1.0
291.19675	100.0
292.20029	11.0
365.23715	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
61.98829	0.9
83.05023	0.8
87.00884	1.3
98.19884	2.5
105.01939	5.7
127.07604	0.8
254.97316	0.8
277.21729	100.0
278.22043	10.9
283.26385	1.7
361.25214	0.9
365.23257	1.0
365.30615	1.6
388.34134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.0
61.98833	1.1
70.02314	2.4
71.01388	30.5
72.99313	0.8
75.00871	1.7
90.20023	0.7
96.96018	2.2
113.02445	1.0
115.00375	13.7
116.00737	0.7
130.08691	0.7
133.01430	3.7
134.02415	0.8
143.10777	11.4
144.11000	0.6
150.95285	0.7
152.03557	2.7
161.13348	3.0
187.14928	14.8
187.84947	0.6
205.12393	4.4
249.11223	2.9
249.14957	100.0
250.11282	0.9
250.15303	9.4
305.09335	0.8
315.42334	0.7
365.15912	0.9
365.19907	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	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39143	0.2
59.01385	100.0
60.01722	1.6
60.62833	0.2
61.98831	0.2
68.32876	0.2
71.01392	0.8
71.60711	0.3
75.19582	0.2
82.76257	0.2
96.96035	0.5
114.55185	0.2
115.00412	0.4
120.02493	0.3
133.01448	0.3
135.04510	0.2
186.54178	0.3
232.06082	0.2
366.28955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58503	0.9
58.29993	0.9
59.01373	6.5
60.01700	0.8
61.92038	0.8
61.98825	3.5
69.28281	5.0
69.28712	4.7
71.05027	22.1
80.69804	0.9
83.05004	1.3
91.04028	1.4
97.06597	5.9
107.66004	1.0
125.27602	0.9
146.96616	2.8
181.12311	1.4
193.60359	1.1
200.71352	1.1
207.13940	2.6
217.15962	1.2
219.13931	2.5
235.16933	4.5
247.20714	1.5
249.53961	1.0
291.19666	100.0
292.20020	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	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56834	0.7
59.01382	85.1
60.01733	0.7
71.01377	3.2
71.60495	1.0
73.35468	0.7
79.95734	3.5
80.96513	1.6
85.02981	0.9
88.40345	0.6
90.05322	0.8
96.96017	100.0
97.95929	0.8
101.02446	3.1
113.02452	0.7
120.99659	1.1
138.97061	0.7
141.85176	0.7
144.04620	0.8
150.97089	1.1
164.07130	0.8
180.98096	3.0
188.63770	0.7
241.00247	4.1
259.32184	0.7
265.28754	0.7
363.07571	88.0
364.07849	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	364.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33141	0.9
50.92485	1.0
54.37197	1.2
59.01375	4.9
61.98819	1.3
69.53194	0.8
70.20743	2.3
70.21138	2.2
71.01397	1.3
74.20626	0.9
96.35153	1.2
147.93477	1.0
170.02118	1.1
186.65083	1.0
198.52620	0.9
272.27634	1.1
277.21729	100.0
278.22119	12.7
365.04163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02116	0.8
59.01384	100.0
60.01731	1.6
69.28527	8.8
70.93952	0.8
71.01387	7.9
72.99319	1.1
73.02962	1.7
78.22920	0.8
85.02947	1.2
96.96011	11.7
101.02493	1.5
115.00381	2.5
127.05522	2.8
127.17608	0.9
133.01451	2.1
135.04514	1.0
143.04996	1.5
154.99861	3.9
155.10811	2.2
158.87492	1.0
173.00911	3.9
173.06065	6.1
181.17207	0.9
190.16292	0.9
199.09781	2.2
199.95583	0.9
217.05060	3.5
238.29393	0.9
247.06102	9.4
247.15544	1.1
248.06570	1.1
287.10461	1.0
363.07611	7.5
363.23532	1.9
364.18799	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	7.3
57.97528	11.6
59.01383	47.9
61.98833	100.0
67.02267	8.8
69.91875	36.7
71.01392	59.6
73.69980	8.0
78.68320	8.5
89.37717	8.3
96.96010	24.1
115.00372	27.5
116.05029	7.6
133.01453	8.8
134.03723	16.7
135.04468	11.1
137.02431	13.1
138.05637	10.1
159.04425	8.2
159.11780	43.6
161.02525	8.9
185.26408	7.4
201.14868	7.6
203.10750	47.4
246.08218	9.9
247.09692	56.8
255.02975	9.1
257.12875	14.7
289.18188	8.7
295.55777	24.1
296.06116	13.6
362.08173	10.0
362.16095	22.9
363.20465	31.3
389.77499	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	363.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56627	1.6
52.26811	1.6
52.35235	1.6
52.82285	1.5
54.40173	1.5
54.47100	1.3
56.88014	1.4
59.01382	13.8
63.00764	1.9
67.02055	1.6
67.14153	1.5
70.60126	4.9
71.01379	9.7
77.30579	1.5
85.02927	1.8
89.02432	2.1
91.01885	3.6
93.03464	5.4
94.85679	1.7
95.95248	2.1
96.96030	7.6
101.02491	2.7
108.02190	23.0
111.08170	3.8
113.02393	1.9
115.00343	4.0
118.92625	1.6
121.02969	21.8
122.03756	13.4
123.00892	1.9
123.04559	16.5
133.01404	4.4
149.02443	42.2
150.03238	100.0
151.03752	3.8
152.01163	47.7
153.01472	2.6
164.04800	8.7
165.05574	98.9
166.05893	7.3
167.03510	76.1
173.08224	3.9
176.01759	3.0
180.04271	5.9
195.04825	3.4
195.06622	52.7
196.06941	2.7
201.11270	2.8
222.35017	1.6
241.82097	1.7
247.11810	5.8
248.00218	2.9
256.07401	11.4
257.13101	2.4
264.56238	2.0
271.09763	3.4
315.08740	41.3
316.08911	2.7
363.10977	2.2
363.16705	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	363.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98827	13.7
71.01383	14.2
71.60120	3.7
72.99319	4.7
75.90137	2.5
83.01395	3.8
83.71989	3.0
85.02962	3.3
89.02447	6.1
99.00894	4.5
101.02460	7.4
108.02192	5.7
111.08191	6.8
112.98853	5.5
115.00374	7.9
119.05029	11.9
121.02960	5.9
123.04517	7.4
128.03497	2.8
133.01454	16.5
133.04083	9.5
138.05592	5.8
149.02509	7.8
150.03233	26.0
150.49646	3.2
152.01149	11.2
153.05553	7.6
158.02478	4.7
163.04094	14.5
164.07185	2.8
165.05569	26.6
167.03523	22.3
167.07146	4.6
172.02846	3.5
173.00920	11.7
173.08244	3.1
174.01715	63.9
175.02481	7.5
177.34692	3.4
195.06639	13.5
200.02257	21.7
201.03087	46.7
211.06044	12.0
218.11391	3.1
227.08232	4.0
243.13506	3.7
247.11876	3.9
248.01756	3.7
257.12967	11.8
271.08237	11.5
315.08844	6.6
320.15787	3.4
363.08359	39.0
363.16602	9.0
364.08670	4.0
364.14655	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	361.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	7.7
59.01384	4.4
70.91138	1.9
71.01363	1.0
74.02071	1.3
74.02478	18.7
83.05035	1.0
83.06176	0.7
85.02959	0.7
85.06590	1.6
87.05643	1.6
88.30255	0.7
97.06592	1.6
99.05653	15.2
115.00355	0.8
123.08195	1.0
131.04623	4.2
133.01530	0.9
139.10182	1.1
139.11288	23.5
140.11613	1.2
143.04630	48.3
144.04953	1.2
150.04218	1.6
160.00742	1.3
172.45573	0.7
177.03401	100.0
178.03751	3.7
183.10275	18.1
184.10472	0.7
227.88129	0.7
251.84700	0.8
286.85672	0.8
346.15030	0.8
361.18439	1.0
361.22433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01716	1.3
69.99434	3.0
71.01390	2.6
71.37389	0.7
84.23082	0.6
85.02966	1.6
101.02481	2.4
113.02466	1.2
161.04533	1.1
172.12000	0.8
202.99390	0.9
276.22339	0.8
319.21460	2.4
362.19696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76159	0.6
59.01385	19.7
60.22907	0.5
66.77815	0.5
69.33381	5.0
86.23772	0.5
135.96873	0.5
146.22356	0.5
155.81976	0.5
173.82468	0.6
256.34500	0.6
269.39978	0.5
279.23297	100.0
280.23660	11.7
361.15521	5.3
361.23602	18.3
362.15366	0.9
362.23990	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31715	8.6
57.01730	9.3
59.01383	100.0
71.59968	10.2
71.60342	10.8
83.70304	8.7
87.66437	10.8
121.69708	9.7
149.09517	9.2
171.10307	11.3
183.06754	13.5
213.06161	9.1
249.11142	9.4
294.35327	9.5
361.20261	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08388	0.2
59.01382	10.6
60.01720	1.0
61.01797	0.3
61.98834	100.0
71.58889	0.4
78.73621	0.3
121.02988	0.3
159.97354	0.5
160.96794	0.2
161.99019	0.3
174.99275	0.8
177.96733	0.6
178.98557	1.1
201.02562	1.3
202.02663	0.3
203.00398	0.3
203.02301	0.7
204.00005	4.3
204.02699	1.0
204.99995	0.4
206.97453	0.6
217.00281	2.8
217.98372	0.5
218.00623	3.8
218.97984	0.3
219.00720	1.1
219.97760	50.1
220.95343	0.4
220.97681	0.5
220.99741	3.7
319.00092	0.3
319.98053	1.1
361.98557	2.7
362.99603	0.3
363.00989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35255	1.1
53.03133	1.3
59.08362	1.1
61.98837	100.0
66.28852	1.1
66.87349	1.4
70.84234	2.2
71.01360	2.0
88.97024	2.0
116.70896	1.4
133.02946	3.3
134.03745	2.6
146.46660	1.1
154.08713	2.1
178.02689	2.7
199.17509	1.1
203.07013	1.2
222.52953	1.4
257.05072	1.3
315.04724	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24745	3.7
59.01379	47.6
61.98838	41.9
71.01379	25.9
71.59379	5.6
72.99320	5.7
73.89301	4.0
76.17934	4.1
84.74525	3.6
88.04056	5.9
95.01390	6.6
96.96000	6.7
99.00893	6.6
101.02453	9.2
109.02974	4.4
113.02448	8.7
115.00372	6.8
119.05024	13.8
121.02928	5.6
123.00898	100.0
124.01672	8.9
125.02410	4.4
133.01443	9.4
134.03735	4.6
135.04536	11.9
137.02449	13.6
138.02202	6.8
138.03238	86.1
139.04031	24.7
159.03018	4.2
161.04562	21.7
161.18857	4.8
163.03993	14.0
166.02620	4.4
179.03366	5.4
181.04990	5.4
191.00206	6.2
193.05046	8.1
196.72998	3.6
201.95911	6.1
202.98657	5.2
203.02260	3.9
217.00244	4.7
289.00238	17.6
301.02829	10.7
301.09277	34.1
327.66251	4.1
361.02420	6.0
361.09683	5.7
361.16324	4.3
368.26138	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	359.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
59.01393	3.0
61.98823	3.8
62.69744	1.1
70.66018	2.5
70.66392	2.3
71.95103	1.2
75.25139	1.0
101.53365	1.3
115.92126	1.2
133.02931	2.2
135.04587	1.3
161.02470	4.1
163.49803	1.2
189.93195	2.0
223.20679	86.5
224.21021	7.8
241.21806	2.5
250.84996	1.1
267.16678	1.6
267.19666	65.1
268.19937	5.6
285.20724	100.0
286.21109	11.5
359.24432	49.6
360.24701	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	360.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62461	0.3
57.34896	0.3
59.01387	1.8
61.98829	1.2
71.01385	1.2
73.02929	0.6
78.95909	6.7
83.01336	0.3
92.02560	0.9
96.96944	0.3
99.00851	0.3
101.02407	0.4
107.03638	4.7
108.02155	0.3
110.98532	6.1
111.47926	0.3
115.00340	0.5
119.05030	0.9
123.00884	1.3
128.03552	0.6
131.03506	0.6
131.04515	0.3
133.01462	0.8
134.04735	100.0
135.05243	2.3
136.05466	0.3
137.02431	0.4
138.03247	1.1
152.99594	0.5
163.03990	0.9
167.01082	0.5
173.60353	0.3
191.00172	0.3
192.99091	1.3
214.15393	0.3
217.00301	0.8
225.01685	5.3
289.00214	0.3
301.09369	0.7
316.15317	0.4
360.07150	9.5
360.17459	0.7
361.07626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00774	13.2
59.01381	46.2
62.66727	10.9
67.57253	14.7
71.60359	16.2
92.65683	12.2
105.81489	12.9
136.15839	12.7
146.12279	11.5
186.98297	13.5
277.21735	100.0
359.15314	30.6
359.22128	27.1
369.50455	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	359.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04715	0.8
59.01384	100.0
59.22373	0.9
60.01730	1.4
61.98819	2.0
71.01384	5.1
71.08987	1.6
71.64510	0.8
73.02959	1.5
80.56544	0.9
85.02959	2.2
95.01399	1.0
97.02875	0.7
101.02453	3.3
107.15925	0.9
108.47878	0.8
113.02466	1.1
157.41576	0.8
161.02444	2.7
161.04489	1.2
243.19803	1.6
317.19635	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04856	0.5
59.01099	1.2
59.01382	21.4
64.42030	0.6
71.36246	0.8
74.41586	0.5
75.68351	0.6
78.53780	0.5
84.22784	0.6
99.92519	0.5
201.14618	0.5
259.20712	0.8
277.21719	100.0
278.22040	11.7
351.38226	0.7
359.15005	0.7
359.22079	17.4
360.22540	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	359.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	2.1
58.00590	1.3
59.01382	19.7
60.22125	0.5
70.14784	1.0
71.01385	12.7
72.99299	0.5
73.02930	1.9
85.02959	1.0
87.00883	2.9
95.05013	0.7
107.05014	0.8
108.02159	0.4
109.02926	0.5
109.06608	0.4
111.00854	0.6
111.08093	0.6
115.00385	10.9
121.03031	0.5
129.05582	0.7
133.01427	0.8
134.03752	1.6
135.04530	2.4
137.09720	0.5
139.11290	18.9
140.11629	1.0
147.03249	2.6
161.02448	0.4
163.11302	0.7
165.05585	0.8
165.09178	1.0
165.12816	1.2
177.12746	0.4
179.14377	1.2
181.12355	10.0
182.12679	0.8
183.10263	21.7
183.13759	1.9
184.10603	1.4
185.15605	0.5
191.10681	0.4
193.05084	1.4
193.12469	0.5
195.13878	1.7
199.13397	7.0
200.13608	0.6
205.12364	1.1
211.13390	18.5
212.13739	1.1
213.14975	12.4
214.15303	1.2
217.12166	0.5
223.13408	3.5
225.11325	5.5
227.04631	0.8
233.11829	1.1
235.13513	1.0
241.14455	38.3
242.14784	2.8
243.12364	100.0
244.12724	7.1
247.13394	0.7
251.12886	12.1
252.13234	1.1
253.14453	5.3
254.14818	0.5
259.13370	4.1
263.12872	0.5
265.14481	0.7
269.13965	2.0
271.10834	0.7
271.15488	0.9
275.10721	1.4
277.14499	5.3
278.14761	0.8
287.13037	0.6
293.13956	1.0
305.14044	2.5
311.09177	0.6
313.16647	0.6
315.09775	0.7
316.81406	0.4
323.15012	1.3
331.17603	0.6
359.08804	3.7
359.13303	1.2
359.17114	1.1
359.20938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98333	1.3
59.01382	100.0
60.01711	2.2
63.47795	1.6
67.03828	1.5
70.24875	1.3
71.01385	10.0
71.59322	3.0
72.99300	1.7
73.02953	2.6
74.02470	2.1
84.38201	1.7
85.02943	2.5
87.00860	5.0
87.05627	1.8
99.92611	2.0
101.02450	2.3
109.32902	1.7
113.02448	3.8
115.00364	5.7
119.05058	1.8
123.00890	6.1
128.03540	2.5
130.08734	7.2
133.01443	9.2
134.50777	1.4
135.04572	2.0
137.02451	2.4
137.06085	56.1
138.03218	4.5
138.06393	3.6
143.11916	3.2
153.05556	3.3
161.04581	11.4
166.99979	1.8
169.08694	1.6
182.02126	4.5
197.04474	10.0
216.82616	1.9
226.99072	2.3
315.16681	6.1
359.19577	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	359.1502
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
58.15540	0.6
59.01377	3.4
61.98825	1.8
65.54724	0.5
69.20537	0.5
69.62251	3.4
71.01388	1.3
72.00888	0.6
78.95903	4.8
90.97150	1.9
107.03675	0.6
110.98552	3.3
111.53979	0.5
115.00372	2.1
130.08746	100.0
131.09085	3.0
134.04729	16.8
142.96559	0.6
152.99622	1.2
167.70073	0.5
174.99324	0.8
180.06656	0.6
184.97720	0.9
189.07936	0.6
213.05392	0.8
217.00304	1.9
227.97734	1.2
228.07243	0.6
230.03497	0.7
232.05032	0.6
244.04974	0.8
246.06561	1.2
274.06140	2.2
276.29303	0.5
298.31445	0.5
299.07562	0.6
315.12512	1.5
332.83810	0.7
359.15015	83.1
360.07239	5.5
360.15320	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	359.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	92.2
59.43834	0.4
59.88877	0.4
60.01729	0.7
61.98845	2.1
69.41885	3.6
72.99324	0.9
86.00549	0.5
90.97130	0.9
132.26929	0.4
132.98219	1.5
153.59299	0.4
156.90807	0.5
156.99998	0.8
157.03581	2.3
159.01558	1.8
161.98888	0.7
174.99261	23.7
201.02576	26.2
202.02681	2.7
202.05962	0.4
217.00317	100.0
217.97972	1.4
218.00624	3.4
274.99658	0.9
317.00555	1.3
359.01437	6.1
360.01746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1249
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
56.10503	0.9
57.03455	1.1
59.01377	4.5
61.98836	15.3
71.01388	4.3
71.59242	1.8
72.00911	11.3
72.99316	2.9
74.02476	4.4
78.95923	1.1
84.84806	1.1
86.13384	1.1
87.00874	2.3
88.04057	1.3
89.02473	2.3
90.18858	1.0
91.06288	0.9
96.96022	1.9
101.02457	1.4
107.05081	1.1
109.02928	1.9
115.00355	4.0
118.05053	2.2
123.04473	1.3
128.03545	3.6
130.08691	1.5
133.01459	5.9
134.04750	1.4
135.04507	4.4
137.02428	1.2
143.11911	2.3
153.10472	1.2
160.72664	1.2
163.03993	1.3
169.09821	1.3
180.06763	1.3
193.06450	6.0
197.04552	2.4
197.09398	1.4
198.04135	1.1
200.13876	1.3
202.07021	1.2
207.08116	3.9
209.06128	2.8
211.07623	2.3
219.08174	12.3
223.07646	5.2
224.08438	6.8
225.09210	6.5
225.13556	1.2
226.08818	1.5
234.09418	1.8
235.07646	2.0
237.05525	2.9
237.09203	25.9
238.09579	2.7
240.10057	2.1
241.10942	1.3
251.07140	1.4
252.10367	8.4
253.08656	1.5
254.08134	2.1
254.11903	8.0
256.07382	5.6
263.07117	9.0
263.97281	1.1
267.09164	1.7
268.09930	2.0
273.10104	2.5
280.09811	8.0
281.08118	12.3
282.08627	1.3
285.10147	2.0
296.09247	3.5
298.11014	8.9
298.13971	2.3
300.06534	2.2
301.16449	1.2
310.91583	1.3
313.11920	7.3
315.13562	2.4
315.16776	3.3
316.14948	2.0
317.09015	2.8
324.08917	7.1
341.11426	46.0
342.00903	1.4
342.09793	5.1
359.12482	100.0
360.05652	5.1
360.12857	13.4
360.17804	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	358.1772
Annotation	CHEMBL1807682
Peak:m/z	Relative Intensity
51.68790	0.7
56.35006	0.7
57.05790	0.6
58.02978	9.5
59.01388	0.9
71.01387	1.2
72.00898	3.8
74.02478	44.3
85.04124	0.8
96.96011	1.2
98.20640	1.8
100.23000	0.7
103.49563	0.8
112.07716	1.1
112.33838	0.6
116.05070	31.4
117.05383	1.5
126.09261	3.8
129.10347	51.5
130.06638	1.3
130.10680	1.8
142.06619	7.8
143.11906	52.3
144.12218	2.0
152.07211	1.1
153.10367	1.7
154.08739	16.0
155.11923	2.4
157.07715	1.6
159.09277	10.1
167.11961	0.8
171.10040	1.1
171.11401	16.7
185.12953	10.1
186.05594	2.2
187.10860	3.3
192.07954	0.7
194.42336	0.6
197.12987	1.4
203.08275	58.1
204.08609	4.1
229.11931	27.0
230.12209	2.3
238.72406	0.7
241.12119	0.9
272.17722	13.7
273.18033	1.8
314.18695	11.5
315.19019	1.7
316.16611	1.9
327.13956	0.7
358.17719	100.0
359.18042	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	358.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	17.1
61.98834	2.7
68.74310	2.8
69.43133	2.9
70.02979	13.9
70.17300	8.8
70.17653	6.2
71.01385	26.7
72.99317	12.7
74.02494	6.1
75.00880	100.0
78.95914	3.7
84.00906	12.5
85.02934	3.0
87.00880	8.8
89.02455	5.7
93.03501	3.2
96.00963	2.9
96.96059	3.6
97.06590	13.6
98.02483	54.8
100.04026	8.2
109.06564	3.7
111.08175	12.1
113.99601	25.5
114.01965	26.6
114.05590	8.0
115.00356	24.4
116.07178	15.4
119.05007	7.1
121.02919	4.5
121.06593	6.1
122.09763	13.8
123.04521	4.1
125.06071	8.5
127.07668	5.6
128.03543	24.7
130.08740	33.2
133.01434	38.8
134.03793	3.4
135.03035	28.2
135.04520	11.4
137.02434	6.1
139.07646	23.5
148.46564	3.5
151.04018	3.5
156.03017	8.5
163.04053	8.1
166.08742	24.6
168.10187	3.6
174.01701	9.1
178.08717	10.3
179.03546	4.9
180.10265	11.4
183.11436	5.2
184.09799	23.0
185.16594	8.6
192.10265	3.9
196.09703	5.1
197.12924	5.7
206.08287	4.4
210.07904	3.2
218.00966	3.0
221.13457	2.9
223.11023	3.5
224.09305	12.9
227.10179	3.6
238.07202	11.5
240.08809	25.0
242.11137	3.6
268.08267	41.9
298.09338	74.5
299.09570	6.4
324.45367	3.1
338.83112	3.3
340.18839	13.7
358.10062	5.2
358.19904	35.9
359.01297	3.4
359.20023	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	356.8998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
60.67661	0.4
61.98834	100.0
69.57018	1.5
69.57421	1.3
71.01388	5.3
72.99309	3.8
73.02955	0.6
75.00890	1.2
78.95927	0.8
79.95751	1.2
84.04552	0.4
85.02962	1.2
87.00880	3.2
89.02471	0.9
95.95235	6.2
96.96017	8.9
96.96960	0.5
98.19865	0.7
99.00893	2.5
101.02442	1.0
102.05619	0.5
104.03545	0.6
104.83231	0.5
105.01940	0.7
108.02176	1.1
108.90202	0.6
111.00888	0.6
111.92963	1.3
112.98654	0.9
113.89645	0.4
115.00388	3.1
119.03441	0.4
119.94713	1.1
121.94447	0.6
124.98782	1.0
127.05198	0.6
128.03563	1.2
129.01984	1.2
132.03059	0.6
133.01445	6.6
135.92149	1.1
136.98572	6.6
142.99908	1.8
145.01431	0.9
145.06201	3.5
146.04622	1.5
146.96613	17.4
150.02271	0.9
154.99628	5.8
157.97069	3.2
162.94000	3.8
165.67931	0.5
168.02870	1.2
170.97029	0.4
173.00880	5.9
173.02173	0.6
181.93759	0.7
182.97023	1.8
184.00253	0.6
188.05640	0.7
190.76131	0.6
195.54660	0.4
207.97525	1.7
210.03973	0.6
213.00139	0.5
213.93665	0.5
219.90144	0.4
241.01750	0.5
255.94810	17.8
256.90298	0.6
256.95050	0.9
259.09470	0.7
271.97281	6.6
292.95450	0.5
356.95102	1.0
357.10559	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	357.119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	1.7
59.01381	35.8
70.73349	1.6
70.73696	1.0
71.01383	22.6
72.99309	2.5
80.96542	1.2
83.01421	1.5
85.02972	4.8
87.00880	0.9
88.04056	1.9
89.02442	20.2
92.23675	0.7
95.01387	2.1
96.96082	1.3
99.00911	1.1
101.02442	12.1
108.02183	1.0
109.02940	1.1
112.93747	2.5
113.02445	6.2
115.00378	6.8
116.07213	0.9
118.05373	0.8
119.03494	6.9
119.04955	1.0
121.02923	0.9
131.03481	0.8
133.01419	12.3
134.03790	2.3
135.04527	1.1
136.01674	1.2
151.03999	2.3
161.02440	1.9
162.03230	68.3
163.03761	5.3
163.99409	0.9
177.05577	100.0
178.02731	1.0
178.05937	5.0
179.05643	1.2
182.00429	1.1
193.05081	1.4
195.06693	6.6
209.12645	0.7
223.00743	0.8
225.99437	1.2
241.01791	4.1
242.18680	1.4
243.17017	1.1
267.14481	0.8
357.09412	1.4
357.21463	1.1
358.19788	3.1
361.07211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.74108	2.2
71.01417	2.4
71.40585	1.9
71.60670	2.3
85.02973	3.0
115.10854	2.1
121.02954	7.3
133.01430	3.0
200.36139	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	356.1869
Annotation	Hetidine
Peak:m/z	Relative Intensity
52.24016	2.8
53.77830	2.9
59.01369	3.5
61.98832	9.5
69.45181	6.5
69.45596	13.7
70.05107	3.1
71.01392	3.1
85.02937	3.0
98.20694	5.1
104.14472	2.7
110.53572	2.3
115.07645	3.2
116.05058	20.5
121.02966	14.8
133.01384	2.9
165.12837	24.7
165.14142	3.4
170.09853	3.0
183.13921	100.0
184.14232	8.7
184.38176	2.7
193.36421	2.5
209.11833	3.8
227.12891	58.3
228.12993	3.0
263.29654	3.1
268.20721	10.0
294.18631	64.7
295.19058	6.8
312.19678	76.8
313.20065	10.3
338.17636	4.8
356.18707	77.9
357.19220	8.8
357.26291	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	355.228
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
58.23145	0.9
59.01397	1.0
64.68703	0.8
65.12775	0.8
71.01354	1.9
71.01691	1.1
76.39957	0.9
85.02948	3.0
94.04305	1.1
98.95576	1.0
107.05012	1.8
109.02971	3.0
111.00874	1.6
121.59352	0.9
122.03747	12.0
126.56980	1.0
127.07624	1.5
135.04532	29.4
136.01643	1.1
136.04866	1.6
147.08154	3.1
149.06064	2.4
149.09714	8.1
151.07640	3.5
154.02707	2.8
155.10828	0.9
161.09720	9.7
163.07732	4.6
163.11295	58.0
164.08432	16.7
164.11598	3.0
165.09200	11.9
177.09216	77.1
178.09987	24.9
179.10782	87.2
180.11131	5.3
183.10277	2.9
187.11333	1.5
191.10805	14.5
192.11179	1.3
193.08699	9.0
194.22353	0.9
209.03102	1.0
258.16156	0.9
265.12384	1.5
280.14725	3.1
298.15753	54.5
299.16037	5.6
307.16919	2.1
318.37131	1.0
321.18393	1.4
322.19257	0.9
337.21732	48.3
338.22031	6.5
340.16092	2.0
340.20410	85.4
341.20786	12.2
355.22791	100.0
356.23135	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	355.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75089	0.7
59.01380	0.9
70.62756	1.4
70.63131	1.6
73.03035	0.8
85.02965	4.6
97.06594	100.0
98.06950	3.3
99.86464	0.8
104.81540	0.8
111.00894	1.0
116.05069	73.0
117.05412	3.1
191.01947	1.2
195.29929	0.9
197.49109	0.9
209.03049	1.4
238.12425	1.3
242.11972	1.5
245.10834	33.0
246.11108	2.8
254.08498	2.1
255.09300	9.7
256.09714	1.2
257.10840	35.8
258.11072	4.4
355.18201	14.4
356.18488	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	355.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21925	1.3
57.03447	3.0
59.01384	10.9
62.31138	1.3
65.28632	1.4
66.12278	1.2
71.01391	8.8
71.60773	1.6
74.02470	3.1
83.05025	1.9
85.02970	3.0
91.04025	2.4
91.77325	1.2
95.05029	1.3
96.96033	6.6
97.06593	4.1
97.27257	1.2
109.30527	1.2
109.42385	1.3
111.08196	1.7
113.09740	3.5
115.00372	2.2
123.08178	40.3
125.09717	1.3
137.09715	3.3
139.11270	3.1
141.09235	4.4
142.05653	1.3
146.03700	1.3
151.11203	1.5
153.09167	2.7
155.10699	1.7
159.04477	1.7
161.06149	1.2
165.09190	2.0
165.12845	11.1
167.10719	2.8
169.08727	1.3
172.05312	2.6
175.07663	1.6
187.06125	1.5
187.07675	16.9
188.08047	1.7
191.14423	1.3
193.12216	1.3
201.09099	1.9
209.03023	1.9
213.09218	2.1
217.84103	1.2
219.17558	9.4
237.18663	3.1
239.16350	3.7
245.15385	3.6
263.16489	28.8
264.16794	2.4
281.17593	100.0
282.17963	8.5
311.16464	4.7
311.63211	2.5
333.14194	1.2
355.15775	3.4
355.21136	5.3
355.25055	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	355.1036
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01889	0.9
57.03454	1.8
57.97537	0.8
59.01384	6.8
60.65416	0.8
63.96244	1.1
70.02988	0.7
70.19595	3.6
71.01393	10.3
71.05025	3.2
72.99313	7.3
73.02956	7.2
75.00876	32.5
79.95731	2.1
81.03442	5.4
84.02177	1.3
84.04558	1.9
85.02953	12.7
86.02490	2.6
87.00889	2.2
87.04523	1.2
89.02460	1.9
89.03992	1.7
95.95290	0.8
96.96024	1.4
99.00898	3.2
99.04526	8.7
106.06657	6.2
108.02179	7.0
109.02996	1.2
112.04019	0.9
115.00353	1.7
117.03472	10.6
118.03841	0.9
119.05032	1.4
123.04539	6.7
125.66155	0.8
128.03549	2.5
129.01917	1.7
133.01451	2.2
134.03751	100.0
135.03998	3.8
135.11792	3.4
137.02501	1.4
143.03516	9.5
145.02991	10.6
147.02950	1.1
149.06084	7.6
150.02298	3.1
150.05641	2.2
160.01668	1.9
161.02490	2.0
161.04576	18.3
161.05916	1.0
161.09735	3.5
175.03973	1.8
178.02698	2.3
179.05626	76.8
180.05965	2.9
191.01958	3.6
193.05078	89.9
194.05515	6.1
204.13980	13.6
209.03123	5.1
238.95219	0.7
248.12921	3.0
251.07364	0.8
263.35641	0.9
313.07458	1.0
346.02875	0.9
355.10760	11.2
355.18622	1.7
356.11234	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0825
Annotation	Fridamycin E
Peak:m/z	Relative Intensity
57.03448	2.2
59.01383	2.9
61.98821	1.3
68.04531	1.3
71.01379	2.6
71.09298	1.5
85.02949	7.2
116.05039	2.6
119.05034	19.3
120.05322	1.2
121.02962	95.8
122.03295	2.5
123.08152	2.0
123.82762	0.9
163.04024	12.9
180.05853	2.5
181.06580	3.5
187.07677	1.6
189.05637	1.3
191.01936	1.1
209.03062	4.7
209.11900	1.7
225.05568	2.3
263.16592	1.3
277.18307	1.0
281.17493	5.3
311.09265	100.0
312.09662	10.1
355.08237	44.5
355.15494	2.3
355.24933	6.5
356.08536	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
51.42966	0.6
59.01381	9.7
71.01383	5.8
71.19108	1.1
71.86221	0.6
76.21942	0.6
77.39524	0.6
85.02953	5.2
89.02451	2.4
101.02431	1.3
113.02459	2.0
114.05504	0.8
115.00387	1.1
132.02168	13.1
134.03737	9.2
135.04144	0.7
147.04538	1.3
149.06091	1.4
157.98862	0.6
160.01663	63.4
161.01984	3.1
175.04005	100.0
176.04390	6.1
179.07127	1.2
191.01927	1.4
191.07141	2.1
193.05057	16.9
202.02625	1.8
209.03052	2.4
217.05048	5.3
235.06142	3.1
239.09195	2.2
265.07233	0.9
295.08301	2.8
355.10428	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	355.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.7
59.01387	8.7
64.82027	1.3
65.00330	5.9
66.13033	1.5
69.03443	2.2
69.81402	7.9
71.01390	11.3
72.99292	1.8
79.95746	2.0
85.02962	9.3
86.07454	1.4
88.34686	1.5
96.96015	11.2
97.02938	3.8
97.06595	13.1
115.00379	13.5
119.05000	4.1
121.02970	2.3
133.01466	12.2
139.05511	2.7
141.05589	14.7
145.02873	1.7
148.46933	1.6
151.11263	5.8
154.99829	6.7
167.05032	6.5
171.04427	1.8
175.27574	1.4
177.09175	3.6
180.05869	2.8
182.03975	1.6
184.05275	4.2
195.04550	3.4
196.04204	2.8
196.05547	3.0
207.04405	2.5
208.05289	22.0
209.03001	4.1
211.04126	2.4
223.03975	2.5
223.07521	2.3
224.04782	8.6
227.92023	1.9
228.04245	5.4
237.05534	2.6
238.06036	2.3
239.09280	8.8
240.04210	3.1
241.04994	3.9
243.06657	4.7
251.03423	2.1
252.01917	2.7
252.04301	35.7
252.07198	2.5
253.04672	4.9
253.07689	3.7
266.05792	2.2
267.06583	5.1
268.03748	7.2
268.36676	1.6
269.07578	1.7
278.05740	2.9
280.06812	1.6
281.07635	3.2
283.06052	3.9
295.11087	1.7
296.03232	6.5
296.06406	1.9
297.06577	3.6
311.05618	100.0
312.05911	10.4
324.09290	2.5
325.06885	10.4
340.08505	7.7
355.11142	9.9
355.17401	2.9
356.17398	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	353.2123
Annotation	Guayulin B
Peak:m/z	Relative Intensity
66.36462	0.2
70.09238	0.8
79.95765	0.4
82.83566	0.2
85.35530	0.3
96.96018	5.3
103.47661	0.3
122.97639	0.4
134.97890	0.3
144.40552	0.3
147.08125	0.3
152.73233	0.3
163.11293	92.2
164.11624	6.1
177.09215	66.8
178.09563	4.3
222.08881	0.4
223.86609	0.3
310.90533	0.3
353.21194	100.0
354.21564	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	354.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97561	1.8
59.01366	0.2
61.98816	0.3
70.73387	0.1
70.89029	0.3
71.01373	0.3
75.00870	2.3
85.02933	0.6
96.95996	0.2
97.06534	0.1
108.02165	0.4
109.02916	0.7
116.05065	9.5
117.03490	0.3
117.05394	0.6
118.62783	0.1
121.02953	0.9
130.08698	0.4
133.02953	2.4
134.03751	1.8
135.04468	0.6
137.02440	0.2
140.05052	0.6
142.06630	4.7
143.06920	0.3
145.02968	1.3
145.15218	0.1
145.30692	0.1
146.03746	1.0
146.06047	0.2
147.04517	1.1
149.06120	0.2
149.97246	0.2
191.01921	0.2
192.08086	0.1
193.04973	0.3
209.03067	0.2
216.08127	0.2
224.00026	0.1
234.09206	0.3
236.07156	0.7
244.07596	1.3
245.08359	0.4
246.09225	6.0
247.06351	0.4
247.09572	0.6
248.07164	1.1
253.15483	0.3
261.07922	1.2
262.08716	71.2
263.09448	56.1
263.15274	0.3
264.09824	4.5
276.10275	1.3
277.10901	0.3
278.11853	100.0
279.12186	11.3
292.09842	0.7
354.13486	6.1
354.18237	0.3
355.13501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01194	1.3
58.02975	1.7
59.01374	4.4
71.01385	4.1
71.60453	1.4
72.04549	21.9
74.02473	2.1
80.64116	1.4
82.03008	2.5
83.06158	1.5
84.04556	8.4
85.02969	1.9
87.00869	1.6
95.86870	1.3
96.96018	6.1
97.06549	1.4
99.60294	1.4
101.07249	3.6
107.02544	1.9
109.04089	9.1
113.07249	1.5
115.00323	1.9
115.26960	1.3
127.05151	50.2
128.03557	18.0
128.05475	2.2
135.04567	1.8
139.08783	23.1
140.02042	1.4
145.06207	20.3
163.11290	4.0
179.02251	4.5
180.13876	1.8
212.29373	1.2
222.09152	1.4
225.11295	2.3
237.11388	1.4
238.03604	10.6
247.18149	7.0
251.07159	3.3
279.06619	3.0
291.17157	12.8
295.06558	1.4
309.18207	10.2
323.05624	2.4
335.16022	22.8
338.08286	2.3
339.08243	1.6
353.09760	6.0
353.17172	100.0
354.17535	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	353.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.6
69.68886	1.2
69.69289	3.5
77.23554	0.6
79.95747	11.3
80.96541	1.1
92.16080	0.7
94.98086	1.1
95.95233	2.1
96.96018	76.0
98.20647	0.8
122.97581	3.9
183.01224	3.1
197.02687	0.9
353.20032	100.0
354.20309	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	353.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	28.9
70.34647	4.6
71.01039	2.2
71.01383	21.4
73.02943	1.3
81.03447	1.9
83.01394	2.0
83.69801	1.4
85.02965	5.9
89.02442	16.4
101.02443	9.1
101.06047	1.5
113.02478	6.6
119.03495	5.8
121.37509	1.3
121.46656	1.3
132.02545	2.1
133.01401	1.8
135.04485	6.6
146.04858	1.9
147.05673	7.1
161.07170	5.7
173.02780	100.0
174.03087	4.7
175.05099	4.8
179.03517	5.2
179.05630	1.4
189.06712	2.7
191.03865	8.4
191.05463	9.0
219.04073	3.9
233.05461	1.6
262.42392	1.6
288.66895	1.3
353.09113	85.9
354.09387	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	353.1033
Annotation	Viridiol
Peak:m/z	Relative Intensity
59.01382	5.4
63.81954	1.1
64.93077	1.3
69.48295	3.1
69.48710	7.1
71.01364	2.5
77.70532	1.2
79.95740	2.4
80.96508	1.7
85.02946	1.7
96.35870	1.2
96.96014	29.4
103.00391	1.5
116.06321	1.1
119.05100	1.7
127.05161	2.1
145.02989	4.6
147.02994	3.9
152.99692	1.6
176.10361	1.3
179.08537	1.3
182.02711	1.5
193.04965	3.0
195.08189	4.0
206.07304	3.6
207.08173	11.6
208.08614	1.6
209.06058	4.7
222.06934	3.3
223.07664	13.3
224.04881	1.7
233.06114	5.2
234.06862	6.2
235.07669	17.1
237.11337	1.8
250.06409	5.6
251.07147	75.6
252.07472	8.5
256.99774	7.6
261.05582	3.6
262.06424	9.3
263.07135	27.8
264.07822	12.5
265.08578	3.4
267.06638	3.7
277.05167	1.4
277.08691	3.5
278.06003	1.4
278.09348	1.8
279.06641	63.2
280.07016	7.5
282.08987	4.7
293.08179	4.8
294.05664	2.5
294.08972	23.7
295.06128	33.8
295.09366	2.8
296.06470	5.5
297.07568	1.9
299.00726	2.5
300.11938	2.2
301.10815	3.9
301.60965	1.5
307.06131	14.1
308.06805	2.9
309.07843	2.7
309.11313	2.7
310.08420	5.0
310.11450	26.5
310.61523	6.0
311.11905	2.1
321.07840	7.6
322.08347	22.9
323.05621	76.0
323.09045	8.7
324.06052	7.8
324.09213	1.7
331.11920	7.7
331.61920	1.5
337.07178	11.5
338.07968	84.5
339.08252	9.5
353.10333	100.0
354.10580	13.1
363.22769	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	352.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
71.60101	0.7
79.95743	10.2
95.95248	5.3
96.96019	100.0
138.97029	0.9
152.00241	4.3
177.51317	0.7
184.02884	1.2
225.14963	0.8
277.77460	0.7
308.18979	2.5
352.21649	96.1
353.21909	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	351.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50476	0.6
59.01380	2.3
60.94245	0.7
67.67839	0.7
71.12103	0.8
75.00903	1.8
90.62467	0.7
96.23158	0.9
98.19742	1.2
123.04457	1.0
137.06129	1.6
137.09715	1.4
165.09201	1.3
206.02835	0.9
217.16084	0.9
245.19308	1.3
289.25513	2.5
302.11139	0.8
313.09109	0.9
333.24356	100.0
334.24698	12.5
339.48071	0.8
351.25354	19.3
352.25687	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	351.2542
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.12060	0.9
57.43306	0.8
59.01377	3.4
59.43446	0.7
61.98822	1.0
64.01783	0.8
69.60281	6.4
72.93729	0.8
94.45496	0.8
94.49480	0.9
97.54614	0.9
108.20720	0.9
126.03075	2.2
126.54123	1.0
137.06140	1.8
165.00185	4.7
165.09232	2.5
192.99667	3.9
245.19026	1.7
289.25372	4.2
315.23343	1.2
333.24359	100.0
334.24683	12.2
351.25433	30.9
352.01233	1.6
352.25760	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	352.1038
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
51.82898	1.3
51.91719	1.4
57.03453	1.8
57.15699	1.3
58.00581	4.0
59.01383	100.0
62.50813	1.4
67.64448	1.3
71.01386	56.9
72.99310	5.2
76.76370	1.4
80.10661	1.3
84.03448	1.3
85.02963	11.9
87.00864	2.5
89.02447	52.8
89.02999	3.2
90.02744	1.7
95.01403	2.7
101.02445	29.2
113.02460	20.6
119.03516	23.4
131.03775	18.5
133.01456	5.3
134.03740	1.6
143.03517	2.4
146.06122	26.1
148.04036	2.6
155.61682	1.4
161.04515	2.9
165.00200	3.8
174.01956	2.4
175.02748	3.5
178.73825	1.5
179.05641	3.4
190.05098	56.5
190.06831	3.1
191.05438	4.0
217.03781	3.9
229.36880	1.4
232.06148	29.3
233.06503	2.5
253.17566	1.6
262.07220	5.2
269.19809	1.3
291.22964	1.7
292.08282	42.0
293.08530	4.0
312.01080	1.6
352.06006	3.0
352.10373	60.3
352.13867	2.1
353.10544	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	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70718	0.7
57.97578	0.8
59.01385	100.0
70.42474	2.1
71.01397	1.6
115.00426	0.9
115.07702	1.1
127.05186	1.8
133.01474	1.8
145.06233	2.0
150.09441	0.7
165.00169	1.3
219.64217	0.7
224.98561	0.7
307.16730	1.3
351.15695	0.9
355.29572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01726	1.1
62.73894	0.7
64.80069	0.7
69.44267	6.3
71.01396	3.1
74.15168	0.7
78.95934	1.0
79.05859	0.7
96.96983	0.7
101.31670	0.7
109.01206	2.7
111.00903	0.9
115.00395	2.0
127.05116	2.0
133.01442	2.0
135.04605	1.0
137.00705	3.6
139.08717	0.7
145.03015	0.8
145.06177	4.4
163.99385	2.7
164.98866	1.5
165.00163	13.5
168.46729	0.7
173.11050	0.7
177.02013	1.0
179.03531	1.7
208.99112	1.0
221.84363	0.7
300.51471	0.7
307.16586	2.2
324.91797	0.8
351.15808	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00594	0.4
62.27215	0.3
67.67097	0.4
99.87006	0.4
118.30768	0.4
123.04447	1.1
137.06027	0.8
137.09615	0.5
139.03981	0.6
139.11223	0.5
157.37297	0.3
162.10480	0.5
165.09225	1.7
165.12762	0.5
167.10759	0.5
193.12303	0.4
198.08873	0.5
217.15962	0.8
227.50340	0.4
233.10907	0.4
245.19191	1.7
253.18126	0.7
277.18259	0.3
289.25500	3.0
290.25665	0.4
307.26596	0.5
309.26471	0.4
315.23245	0.8
333.24359	100.0
334.24683	13.3
351.25421	20.9
352.25705	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	351.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23050	0.6
59.01373	1.5
70.94276	0.9
75.00865	0.6
85.06147	0.5
85.06571	2.9
134.24763	0.4
221.19157	2.6
237.18503	1.0
247.16965	1.3
254.18826	0.5
265.18079	18.9
266.18408	1.7
333.24420	3.4
351.25409	100.0
352.25751	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	351.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01415	1.0
60.73669	0.2
71.60565	0.4
77.52976	0.2
88.02090	0.3
93.60530	0.3
95.42087	0.2
96.96085	0.4
120.32203	0.2
123.04561	0.7
129.62549	0.2
131.18965	0.3
137.06067	1.1
137.09724	0.5
139.04079	0.4
156.04280	0.3
158.72212	0.2
165.09242	2.1
165.12900	0.3
167.10822	0.3
167.14516	0.4
192.89929	0.3
193.12329	0.3
198.09033	0.4
207.13872	0.4
217.15996	0.6
221.15508	0.8
229.32008	0.3
231.10410	0.3
231.80247	0.2
235.17032	0.4
245.19110	1.4
246.19394	0.3
281.17670	0.3
289.25397	2.6
305.24838	0.3
307.26523	0.5
315.15881	0.4
315.23218	0.7
333.24350	100.0
334.24680	11.5
334.27896	0.2
351.25391	30.5
352.19388	0.3
352.25787	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88004	3.2
52.09181	2.6
59.01384	22.2
61.98519	6.4
61.98834	100.0
71.60339	3.6
132.04787	2.7
195.13921	3.9
203.72752	3.2
231.10312	9.3
309.16867	5.9
322.93259	3.6
371.00119	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93001	1.5
57.03446	1.9
57.85161	1.7
59.01379	14.7
69.60989	5.2
69.61418	5.3
70.78288	1.3
71.01381	18.4
72.99300	6.8
73.02966	1.8
73.98358	1.6
75.00874	14.7
85.02956	15.8
86.10586	1.4
87.00875	6.0
89.02456	5.6
95.01411	5.3
96.96033	3.3
98.19872	2.5
98.95586	5.9
99.00890	7.8
101.02422	1.4
101.06088	100.0
102.06422	2.9
103.00416	2.1
103.26012	1.3
113.02466	22.7
115.00385	7.3
117.01930	1.8
123.98177	1.4
129.01958	1.8
133.01422	10.2
145.06215	3.2
165.00209	1.7
175.02412	2.3
191.07095	2.3
193.80229	1.7
231.05054	2.4
247.49388	1.4
249.06102	16.5
256.97003	1.5
267.07150	2.7
278.10226	1.8
291.10812	1.6
307.16650	2.6
333.00714	1.8
333.11615	2.7
342.79846	1.5
351.05927	6.3
351.12952	80.8
352.13779	9.7
352.17453	1.4
374.35507	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17463	0.6
58.02982	1.5
59.01369	2.4
59.40965	0.5
60.15971	0.6
61.98838	11.7
64.08088	0.5
71.01386	1.1
71.58998	0.6
71.59457	0.8
72.00917	12.6
72.99303	1.0
74.00711	2.3
74.02488	3.3
77.47466	0.5
78.96827	1.1
80.60925	0.6
82.02982	1.5
84.69216	0.6
86.02499	1.7
87.05653	0.8
88.04025	0.7
91.05536	0.9
91.71824	0.6
97.04075	0.7
99.05660	3.5
100.00426	3.0
101.07193	0.7
102.05576	0.6
109.04105	1.0
112.04049	0.7
115.00382	0.9
119.05015	0.9
128.03551	13.7
133.01457	1.6
133.03003	0.7
135.04567	1.3
135.05630	1.0
141.06642	0.8
141.98245	1.3
143.04625	14.7
147.04530	40.2
148.04886	2.4
150.05621	0.6
153.06625	0.8
164.07175	100.0
165.07527	4.9
167.08397	0.7
169.06184	2.8
174.05576	1.3
175.01915	0.7
179.04659	3.2
187.98840	0.7
192.06586	0.7
197.05696	0.7
203.04999	1.3
210.08879	3.7
230.83510	0.6
236.05531	0.9
254.07813	5.2
272.08923	7.7
304.06113	1.5
351.13290	14.6
351.99829	1.5
352.06259	3.5
352.13577	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11214	0.6
59.01387	9.1
61.06706	0.6
65.11840	0.6
71.01390	17.4
71.59969	0.7
72.00896	0.7
72.04565	1.9
72.99317	3.1
82.03013	0.6
83.01406	0.6
84.04552	1.3
85.02946	0.7
86.06142	0.7
87.00883	1.1
88.50687	0.6
88.69969	0.6
89.02447	2.9
96.96049	3.9
98.95605	7.5
98.96450	1.6
101.07256	0.9
109.04091	1.2
115.00383	46.0
116.00737	1.0
125.03600	0.6
127.05144	9.7
128.03549	2.4
133.01443	100.0
134.01805	2.3
134.03719	0.9
135.08176	1.7
135.11789	1.3
139.08781	1.6
145.06195	12.7
155.05080	1.6
156.05832	0.6
156.60266	0.7
161.02460	2.0
162.03217	1.3
163.11336	0.7
171.25670	0.7
172.05257	0.7
173.06078	11.5
174.06458	0.6
175.03987	1.3
177.05550	0.7
178.12424	1.1
182.97754	0.6
184.47293	0.6
189.05406	0.6
191.07137	26.3
192.07552	1.3
235.06122	10.5
236.06465	0.8
251.05673	1.1
289.15585	2.6
307.16644	12.5
308.17117	0.9
309.51636	0.6
321.06110	0.6
333.14569	0.8
351.05896	8.8
351.15692	7.0
352.06512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2385
Annotation	5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one
Peak:m/z	Relative Intensity
59.01376	1.7
61.11648	0.8
67.34913	0.8
69.60425	5.7
73.46993	0.8
80.12628	0.8
83.05020	1.7
96.96019	2.9
165.12845	1.0
189.12866	6.5
191.14465	1.2
203.14384	1.0
217.15985	2.2
261.22263	5.0
265.14865	2.2
287.20316	2.3
287.72754	0.8
297.59360	0.8
305.21222	100.0
306.21536	11.2
349.24338	6.0
353.19708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2386
Annotation	Methyl sciadopate
Peak:m/z	Relative Intensity
52.11420	1.0
57.03440	2.5
59.01382	8.5
61.98827	1.1
69.03460	1.4
69.17470	0.9
70.28340	4.5
71.01389	19.1
72.99325	1.3
73.02957	7.8
75.00877	100.0
76.01212	2.2
85.02952	1.9
89.02451	4.1
96.96015	1.7
97.06599	1.4
125.06022	1.6
139.07620	2.8
148.32666	1.2
151.36690	1.0
167.14429	1.2
205.19598	1.3
257.22626	1.6
261.22156	2.4
265.14764	1.4
273.22324	3.0
277.21713	14.7
278.22122	1.5
285.82996	1.4
287.23734	2.4
289.21710	4.6
291.23233	5.5
301.21719	1.5
303.23373	6.3
305.21326	5.7
319.22797	40.1
320.23141	3.9
331.22791	20.4
332.23062	2.6
349.23917	21.6
350.24115	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	349.1868
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01888	1.0
57.01382	0.6
57.03439	0.9
58.00589	1.7
58.50082	0.6
59.01381	32.6
69.78944	2.7
69.79362	1.1
71.00990	1.1
71.01382	19.1
72.99303	3.5
73.02953	1.2
75.00893	0.7
83.01376	1.9
85.02961	4.7
87.00876	1.4
89.02450	15.0
95.01381	2.5
96.96007	0.7
98.19881	1.0
101.02449	13.6
113.02467	8.1
114.61625	0.5
116.05110	0.5
119.03524	5.9
130.09430	0.6
131.03465	0.6
139.11275	0.8
141.12862	28.0
142.13181	1.7
143.03502	0.8
155.14410	0.9
161.04561	0.8
169.12335	5.1
171.13913	1.5
179.03358	0.5
183.13867	2.5
187.13394	61.5
188.13713	3.7
229.14426	2.0
258.77136	0.6
297.13651	0.6
325.15240	0.6
349.18671	100.0
350.19025	11.1
360.70230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01880	2.9
57.03449	4.4
58.00585	3.6
59.01382	100.0
69.03467	1.6
71.01385	96.8
71.59824	1.3
72.01741	1.5
72.99319	6.9
73.02943	9.8
75.00874	1.6
82.02986	1.6
83.01388	6.4
85.02954	24.4
86.02441	1.4
87.00883	4.2
87.04519	2.3
89.02449	77.8
90.02798	1.3
95.01396	5.8
96.96029	4.3
97.02955	1.4
99.00879	4.6
101.02449	61.2
113.02453	38.8
114.02787	1.2
119.03504	32.1
122.06123	1.4
125.02411	2.4
127.08790	1.0
128.03534	3.7
131.03523	4.7
133.01469	1.7
133.06935	2.4
135.04514	1.2
143.03494	10.6
149.04596	3.1
159.03026	3.8
161.04561	21.0
164.03563	1.8
171.07736	1.6
179.05629	14.8
185.11874	1.4
187.13387	15.1
190.08795	1.9
191.04581	2.0
218.11801	2.4
233.09309	4.9
245.09346	1.0
259.07294	2.6
261.12494	1.4
271.07208	1.2
287.10382	4.0
305.11172	1.0
331.09277	4.0
349.06094	2.8
349.10318	7.8
349.18677	69.0
350.19205	5.5
373.92770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1869
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01884	1.5
57.03452	1.9
58.00587	4.2
59.01382	100.0
60.01715	1.5
69.34309	1.5
69.34711	8.3
71.01385	64.5
72.99323	6.2
73.02911	1.5
83.01379	2.3
85.02960	13.9
87.00870	3.6
89.02445	68.0
90.02785	1.4
93.69616	1.1
95.01372	3.3
96.95986	5.4
98.19810	2.5
101.02451	48.0
113.02450	23.1
114.02757	1.4
119.03508	37.2
131.03531	2.7
141.12914	2.6
143.03517	2.9
149.04575	2.0
161.04619	2.0
169.12328	3.8
179.05608	4.7
187.13350	5.4
199.78720	1.3
276.29520	1.4
349.18689	52.8
350.19083	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	349.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97562	0.7
59.01382	3.7
64.56014	0.5
71.01398	2.4
71.60837	0.7
73.02982	0.5
74.99092	1.9
76.59690	0.4
78.90218	0.4
85.02966	0.6
96.96023	1.8
97.68645	0.4
99.00862	0.4
100.83097	0.4
101.02460	1.1
113.02472	0.6
123.31582	0.4
144.04572	1.1
149.70799	0.4
160.02272	89.3
161.02625	4.8
186.02490	0.6
187.03355	100.0
187.13345	0.9
188.03703	5.3
307.17462	0.8
349.08994	0.8
349.12985	0.6
349.18530	2.7
350.15683	0.5
358.52850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01722	1.1
71.01382	5.7
71.34000	0.6
71.60052	1.0
72.99318	0.9
73.02947	0.7
79.95724	0.6
85.02955	0.9
89.02456	3.1
96.96011	8.7
98.14268	0.6
101.02467	1.8
111.00867	5.2
113.02453	1.2
115.00345	0.8
119.03530	1.6
120.01252	1.4
133.01448	1.3
276.05817	0.7
349.06049	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	348.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01694	1.5
349.20050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59513	0.4
61.98835	100.0
62.32428	0.4
62.86763	0.4
63.99268	0.7
64.86142	0.4
70.77937	1.1
89.47061	0.4
133.05191	0.4
149.73727	0.4
162.98505	1.6
165.37325	0.4
204.00081	1.0
205.00204	2.7
205.99731	4.0
206.97453	66.8
207.97560	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	348.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.1
55.47437	1.0
57.03456	6.4
58.00603	2.8
59.01384	76.7
68.99824	11.5
69.03461	14.6
71.01385	31.9
71.01767	2.2
72.99332	2.1
73.02959	5.6
75.00879	2.6
81.03477	2.6
83.01397	22.2
84.02165	2.3
85.02956	15.5
87.00873	6.0
89.02460	1.9
95.01400	3.0
95.05035	1.2
96.43597	1.1
96.96045	1.2
97.02943	11.6
98.19888	2.2
99.00888	11.5
99.04509	2.8
101.02437	10.9
111.00891	23.2
113.02451	9.6
115.04136	1.0
116.05074	100.0
117.05402	4.6
123.00851	1.6
124.12601	1.0
127.04019	2.4
128.05074	5.2
129.01945	35.4
130.06630	6.1
131.03482	1.5
138.38983	1.0
141.01955	30.2
141.02992	2.2
142.06621	10.8
144.04582	1.6
156.04561	1.3
157.05321	2.2
158.06120	18.4
159.03001	27.7
159.89230	1.2
166.06633	1.4
170.06151	7.4
171.02971	1.4
172.07683	7.4
174.05627	1.3
177.04030	6.2
182.06067	2.1
184.07628	2.2
186.05609	9.1
188.07181	67.7
189.07469	2.9
196.07690	5.6
200.07246	1.5
201.04071	5.1
204.06653	15.2
210.05630	4.5
214.08684	6.1
216.06712	3.5
218.08295	1.3
226.08762	3.3
228.06743	2.8
230.08228	13.7
246.07762	2.3
258.07855	1.9
260.09326	5.9
270.07623	7.7
288.08774	63.1
289.09171	6.5
306.09836	14.1
307.10123	1.6
330.10114	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38952	2.4
57.03442	5.8
58.55355	2.4
59.01094	4.3
59.01382	75.1
59.56551	2.5
61.52378	2.9
67.22516	2.3
68.99819	12.3
69.03455	12.1
71.01379	31.1
71.60087	3.3
72.99315	4.0
73.02938	3.8
83.01395	20.4
85.02940	13.8
87.00876	9.5
87.05634	4.7
89.02450	3.1
96.96021	4.6
97.02959	9.2
97.06550	3.0
99.00873	10.8
101.02461	12.5
111.00887	26.4
112.69479	3.0
113.02457	12.3
115.00386	3.6
115.31860	2.4
116.05068	100.0
117.05384	4.7
128.05084	4.8
129.01930	25.0
130.06656	5.0
133.01469	3.8
141.01982	23.6
142.06616	12.0
146.06163	3.2
149.47057	3.1
153.97339	2.5
157.05324	3.0
158.06097	16.5
159.03004	25.0
164.07156	11.4
167.50706	2.8
170.06131	7.4
172.07724	4.6
183.11440	4.8
186.05580	11.0
188.07188	62.2
189.07515	6.1
196.07567	3.2
200.13965	12.6
201.04004	4.3
201.93570	3.0
204.06538	15.7
210.05585	3.9
214.08781	6.0
216.06618	3.5
219.10670	2.7
226.08745	5.5
228.06589	3.4
230.08128	13.3
246.07683	3.1
260.09265	6.9
270.07687	6.5
287.13950	3.9
288.05780	4.5
288.08792	57.8
288.14081	13.6
289.09045	8.1
306.09796	16.2
320.17432	2.7
348.15057	4.2
348.19247	24.2
349.13275	2.9
349.19504	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	348.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45267	2.0
54.67204	1.9
57.03450	6.7
57.66135	2.5
57.83416	2.1
59.01383	64.9
59.06165	2.1
68.99824	10.1
69.03154	2.0
69.03446	12.0
69.41840	7.5
69.42262	11.4
71.01381	23.6
73.02966	5.3
75.00867	2.1
81.03436	2.2
83.01396	21.4
85.02965	17.4
87.00892	4.9
93.08553	2.5
95.01402	3.1
96.96028	7.5
97.02961	12.6
98.20687	4.5
99.00895	14.2
101.02458	8.4
111.00881	21.9
113.02457	9.0
116.05067	100.0
117.05391	7.0
127.04020	2.7
128.05110	3.5
129.01939	32.2
130.06564	6.0
141.01944	34.7
142.06635	6.7
156.04572	2.6
158.06117	16.0
159.02997	28.9
170.06119	8.5
172.07735	5.3
177.04073	6.3
186.05571	6.6
188.07162	64.3
189.07571	3.1
196.07671	4.5
201.04092	2.9
204.06621	14.4
210.05553	4.7
214.08760	7.3
230.08257	13.2
244.09756	3.4
246.07780	3.8
260.09283	6.7
270.07733	5.4
288.08774	57.8
289.09116	6.0
306.09915	12.0
349.05902	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	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47835	0.3
59.01377	4.5
60.01693	0.3
61.98833	100.0
69.96873	1.8
75.04391	0.4
94.70456	0.4
98.20601	0.7
132.98335	0.4
140.23082	0.4
199.26762	0.4
201.02559	0.7
202.02702	2.2
203.02283	2.6
203.99998	46.0
205.00102	4.4
256.86118	0.5
282.02014	0.4
345.43555	0.4
345.48178	0.4
346.01190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.0
67.32439	0.8
69.40106	6.1
75.00884	4.9
75.42127	0.9
86.28328	1.0
97.93085	0.9
98.90696	2.0
155.91399	1.0
188.39978	0.9
249.18593	100.0
250.18912	9.2
258.69247	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.8
70.07952	1.1
71.01394	4.2
73.02950	3.0
74.31184	0.8
83.01349	0.8
96.96012	0.8
101.02412	1.4
101.10548	0.7
113.02478	0.9
116.05057	1.4
128.11089	0.7
135.04521	0.8
142.42439	0.7
143.10785	100.0
144.11099	4.6
157.12367	2.1
169.12393	1.1
185.11928	1.2
197.11801	2.9
230.10587	0.7
275.20178	0.7
278.12589	0.6
320.64563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1091
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
53.97573	1.0
57.93021	0.9
59.01389	7.9
66.16735	1.0
69.58493	6.8
71.01395	5.4
79.47489	1.1
79.85297	0.9
84.04509	1.3
84.42439	0.9
85.02936	1.1
89.02439	1.5
92.19566	1.0
95.03778	4.9
96.04529	1.6
96.08160	1.8
96.96006	1.5
97.01677	1.0
101.02450	2.5
104.05061	2.9
106.06624	8.6
107.49739	0.9
112.04071	1.4
113.02464	2.0
115.00394	2.2
115.92043	1.5
120.01252	1.6
122.06129	5.7
123.03242	1.5
124.07707	8.5
132.04558	57.5
133.05353	30.2
134.03749	1.2
134.06165	9.5
144.86758	1.0
148.04060	2.4
149.06090	2.8
150.05573	3.7
165.02907	2.3
165.04305	40.4
166.04694	2.2
176.03531	3.3
177.04324	6.9
178.05060	2.3
182.39685	1.0
184.07661	1.4
185.08415	1.1
186.09283	7.8
193.05080	4.1
193.56073	1.2
209.03302	8.2
213.06654	4.8
214.12372	10.2
215.11897	9.6
226.07513	2.1
229.09738	5.1
241.09845	4.7
255.11574	1.4
257.12967	40.2
258.13315	3.7
269.12949	3.6
283.10873	10.8
301.11948	30.9
302.12311	2.6
327.09799	1.7
345.10925	100.0
345.14957	3.5
346.11118	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	344.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	30.0
70.88464	5.3
71.01384	29.5
72.00916	12.6
72.99308	4.7
89.02448	35.6
93.03492	2.7
101.02454	7.7
113.02458	8.0
115.00376	3.3
133.01451	4.7
147.04529	52.7
148.04869	3.3
150.04184	3.1
164.07164	100.0
165.07449	6.0
179.05602	8.7
239.36649	2.8
328.10791	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	345.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97560	3.0
59.01388	5.5
61.30657	2.2
69.03486	3.2
70.08974	4.2
70.09358	8.2
71.01392	39.2
72.99312	54.4
74.02477	7.0
80.96541	2.0
81.03462	4.5
87.00866	3.0
88.04032	4.8
89.02480	3.1
93.03440	10.9
95.01396	4.9
95.05038	5.6
96.96017	15.8
98.24911	2.1
109.02948	10.4
113.82887	2.1
115.00382	67.1
121.02958	21.5
122.03896	2.5
123.00877	5.3
123.03632	2.4
123.04533	41.3
124.01666	3.8
133.01443	100.0
135.04535	3.9
137.02443	27.3
139.04033	18.3
144.70593	2.2
149.02464	29.0
151.04041	4.2
151.06224	2.4
153.04947	2.5
167.03522	46.0
189.00446	3.4
193.05005	7.9
195.03012	3.0
257.13062	5.0
297.11230	3.0
344.53217	2.3
361.90030	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	343.2491
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
56.11266	1.2
58.21226	1.2
59.01380	4.5
61.98854	1.5
65.92075	1.4
70.10972	1.7
70.11374	3.7
70.79193	1.2
85.53259	1.3
86.11961	1.4
98.20547	1.7
99.08175	7.9
112.51262	1.2
121.10213	6.2
124.74677	1.3
127.11262	2.1
135.78893	1.2
138.62029	1.5
139.11299	1.7
153.01910	3.1
171.10286	36.9
193.12305	9.9
211.13318	2.5
225.14909	9.0
243.16042	4.8
293.21268	4.0
328.05777	1.4
343.24887	100.0
344.25070	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01380	0.8
57.03453	0.9
57.97530	0.8
59.01369	2.5
61.55225	1.2
61.98832	1.1
71.60883	1.4
83.04971	1.2
99.08173	3.3
121.10236	7.6
125.09717	2.1
127.11297	2.0
134.81287	0.9
137.09750	1.5
139.11357	1.9
153.01921	1.4
165.09283	0.9
171.10281	47.2
172.10548	1.7
183.23863	0.9
193.12413	4.6
200.07472	6.4
211.13438	1.4
225.15024	6.4
243.16017	2.6
280.15591	1.0
289.18097	4.5
293.21295	2.5
325.21783	1.3
343.24896	100.0
344.25198	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	344.04
Annotation	2',3'-Cyclic GMP
Peak:m/z	Relative Intensity
59.01380	2.4
61.98825	2.7
62.12312	0.7
66.00969	1.3
67.37749	0.6
69.61307	2.6
69.61716	1.3
71.01398	1.3
72.99342	0.7
78.95918	1.6
79.69953	0.5
89.02465	0.6
101.02451	1.4
107.03663	3.0
108.02062	3.6
110.02561	0.7
111.02043	0.8
115.00378	0.9
126.03112	2.5
130.08748	34.5
131.08372	0.7
131.09126	7.3
133.01572	44.8
134.01886	0.7
144.03047	1.4
145.09808	0.7
150.04225	100.0
151.02693	1.0
151.04555	2.3
161.10300	0.6
169.00003	0.7
185.60156	0.6
188.07805	0.8
194.85350	0.6
201.02615	1.0
212.06812	0.9
225.08846	1.4
228.07188	0.7
232.04942	0.7
240.07234	2.8
243.06265	1.3
243.09897	1.8
302.16537	1.2
343.17279	2.8
344.03961	8.9
344.17459	20.8
345.13486	1.4
345.17239	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	343.14
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70407	0.7
59.01385	100.0
60.01714	1.7
69.58904	0.7
70.35346	2.9
71.01393	6.0
73.56928	0.7
89.02452	5.5
96.96029	5.4
100.46519	0.8
101.02459	2.1
113.02470	2.0
115.00386	1.7
119.03536	1.7
121.02961	3.3
128.03554	1.2
133.01424	1.9
135.04564	4.2
137.45338	0.9
138.98566	1.0
146.04620	1.0
151.00356	1.9
151.29805	0.8
153.01942	9.7
158.01082	1.0
172.05241	0.7
173.05949	1.5
179.03465	3.5
211.54179	0.7
216.89813	0.9
237.03041	0.9
310.04401	0.9
325.14444	1.9
343.10876	5.4
343.15524	7.7
343.19772	1.2
344.03183	2.6
344.16071	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2126
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
52.51190	0.5
55.01884	0.7
57.03432	2.2
62.97271	0.5
69.03453	1.5
69.71364	1.2
69.71777	2.8
71.01392	0.9
71.05025	0.9
83.05031	1.8
84.02177	3.8
84.03098	0.5
85.02966	2.8
85.06586	2.1
85.22941	0.6
87.04527	2.4
91.79468	0.6
95.05035	7.5
96.96009	4.3
97.06606	1.1
99.04510	0.6
105.18489	0.6
113.06087	2.4
123.08202	0.7
125.09713	1.3
127.11282	2.2
135.08247	1.0
153.09163	0.7
160.92905	0.6
171.10295	8.8
177.12874	1.0
183.13866	2.8
183.84914	0.5
185.11803	0.6
193.12291	1.2
209.11848	2.7
211.13409	13.1
212.13724	0.9
221.11789	2.3
223.13423	0.8
229.14444	23.7
230.14703	1.5
237.14998	5.2
239.12886	1.3
245.19086	0.9
249.14922	2.3
267.16064	2.0
289.18082	1.6
307.19260	1.6
325.20190	6.9
326.20407	0.9
343.10684	3.7
343.21249	100.0
344.21579	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86923	0.6
59.01383	100.0
59.10550	0.6
60.01717	1.6
63.79283	0.7
71.01388	6.0
71.59687	0.5
80.02156	0.6
85.02962	0.6
87.00919	0.7
89.02462	5.4
94.59560	0.6
95.14709	0.7
96.96017	3.8
101.02488	2.3
113.02552	1.3
115.00404	0.9
118.94257	0.7
119.03528	2.7
119.05077	1.7
133.01471	1.5
135.04524	14.2
136.04907	0.7
138.38916	0.7
138.40109	0.7
153.01917	4.6
161.04601	0.7
163.04076	1.0
166.02812	1.2
179.03514	13.6
179.05772	1.2
180.03935	0.8
181.05113	1.9
217.22977	0.6
241.53290	0.6
243.03142	0.6
244.29012	0.6
256.99872	0.9
281.67490	0.7
301.26816	0.7
343.08865	1.5
343.21448	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.7
60.66505	1.4
61.98822	3.1
65.74607	1.9
72.58167	1.7
74.05630	1.7
85.04115	2.1
86.02482	8.9
93.18938	1.9
100.34598	1.5
103.69518	1.6
112.00434	3.1
113.04334	2.2
122.03764	2.1
122.09770	6.5
131.05376	1.8
135.04651	1.7
137.07202	2.8
153.01967	3.3
171.10242	4.3
200.07510	100.0
201.07877	4.6
211.13307	3.4
225.14972	2.1
229.06509	3.5
313.03497	2.5
313.93573	1.8
325.21655	4.9
328.06033	2.4
343.11807	2.0
343.25006	18.1
344.25082	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	343.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43791	0.6
59.01385	100.0
71.01398	6.7
83.01407	0.9
85.02989	0.7
89.02457	5.2
91.88792	0.8
101.02441	1.6
109.02937	0.8
113.02493	0.7
115.00388	1.9
116.05030	0.7
119.03510	2.0
130.08804	0.8
133.01476	1.4
134.04753	1.5
138.44275	0.6
144.08759	0.9
151.00359	1.6
153.01944	10.3
179.05640	1.4
185.06973	0.8
196.69034	0.7
210.06970	0.7
235.98537	0.7
245.06664	0.9
343.08191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1068
Annotation	CHEMBL460255
Peak:m/z	Relative Intensity
51.17089	0.3
51.83298	0.3
57.03442	0.5
59.01131	0.4
59.01385	3.2
60.71116	0.3
69.03417	0.5
71.01389	3.2
71.60140	0.4
72.99304	0.4
73.02956	0.8
75.00858	0.5
79.95750	2.5
80.96516	1.4
82.70063	0.3
83.01382	0.7
83.05009	0.5
85.02950	1.0
87.00880	0.6
95.05032	0.6
96.96014	97.8
97.06576	0.6
99.92587	0.5
101.02455	2.0
109.02956	0.6
115.00375	1.1
115.92112	0.8
116.92867	1.5
121.02943	0.7
122.97575	0.4
133.01428	0.7
134.03732	0.8
135.04514	0.9
135.08171	0.6
138.97084	0.7
150.97067	0.6
152.98582	1.0
153.01884	2.0
153.09273	0.4
159.04478	0.3
161.02432	1.2
163.03986	0.3
171.10274	1.8
174.03168	1.0
175.02452	0.4
178.02669	0.4
179.03471	0.5
180.98123	2.6
181.04939	0.4
181.12328	0.6
185.99313	0.3
189.05533	0.8
193.05099	0.9
209.11847	0.5
211.13342	0.7
229.14413	1.0
236.10971	0.3
237.14949	0.5
241.00204	3.2
241.07709	0.6
256.99765	0.9
267.06613	0.5
268.06918	0.8
269.07184	2.6
284.09491	0.6
285.17474	0.4
296.05936	1.0
299.09146	0.7
299.12164	0.8
311.08234	2.4
325.20078	0.4
328.08661	0.7
343.10681	100.0
343.21249	10.8
344.11011	7.6
344.15326	0.5
344.21533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0936
Annotation	Griseolutein B
Peak:m/z	Relative Intensity
59.01385	3.4
71.01412	5.4
75.00853	1.2
80.11761	0.8
83.01375	1.6
83.52535	0.7
96.96006	2.3
98.19865	2.2
100.77271	0.8
106.03000	0.8
109.03019	1.6
114.63374	0.9
115.00380	3.2
133.01427	3.8
134.04726	0.8
135.04553	5.1
147.03267	4.0
148.04039	1.8
151.00381	1.6
153.01949	11.1
159.05737	1.2
171.10371	1.4
172.07689	2.1
173.24217	0.8
175.02760	38.3
176.03548	12.7
176.66046	0.8
179.03529	2.2
184.07721	1.6
198.05734	0.7
199.05093	1.2
200.05736	1.0
200.07234	2.3
203.04539	0.8
212.07309	1.0
215.08342	2.3
226.05112	1.1
227.04625	5.6
228.05156	5.3
229.14485	0.9
237.16528	0.8
240.06837	4.5
241.06389	1.0
243.07674	4.7
243.11395	2.8
255.04123	17.3
255.07733	2.9
256.04910	19.3
257.05435	1.7
269.05612	1.9
269.09283	1.4
270.06390	3.3
271.07263	100.0
271.10437	3.6
272.07629	8.3
281.09357	1.5
283.07248	19.1
284.07663	2.1
297.08878	2.5
299.10388	7.0
300.10812	1.0
325.08267	4.3
343.09366	89.1
343.20724	4.0
344.09747	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62030	0.2
59.01382	86.3
60.01719	0.9
61.98833	0.7
62.44730	0.2
69.85531	1.1
90.95165	0.2
98.19864	0.3
113.04646	0.4
115.02541	0.3
119.79440	0.2
133.22372	0.2
156.90892	0.5
157.03572	6.0
158.03679	0.5
159.01505	3.3
160.01630	0.3
201.02554	100.0
201.89355	0.6
202.02716	8.2
236.77106	0.2
315.59552	0.3
343.03723	2.6
344.03769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.7
65.00333	4.3
71.01385	6.7
79.95744	1.0
83.01393	1.2
84.02159	1.2
85.02933	1.8
85.29836	0.9
87.79173	0.9
95.05046	2.7
95.95245	8.6
96.52560	1.0
96.96018	100.0
97.03016	1.3
97.26698	1.1
98.95577	1.0
101.02441	1.3
101.10356	1.0
102.81078	0.9
111.04486	1.0
115.00397	2.6
116.06725	1.0
123.08170	1.5
129.10803	1.0
133.01477	2.4
135.04507	1.4
153.01930	7.2
153.09270	1.0
159.04454	1.0
171.10263	6.4
185.06056	1.7
196.05328	3.1
197.05951	1.6
209.11861	2.9
210.44301	1.3
211.04042	5.7
211.13403	2.8
212.04733	2.2
213.05600	1.1
216.07878	3.5
225.05559	3.4
228.07864	2.8
229.08672	2.0
229.14430	5.4
231.10312	1.5
237.15086	1.4
240.07932	13.5
241.00185	1.9
241.08218	1.3
249.15028	1.9
256.07440	12.9
271.09781	7.0
284.06888	12.1
288.06424	4.0
299.09262	82.4
300.09598	10.5
325.20337	2.9
343.10715	53.7
343.21243	38.1
344.10971	3.3
344.21658	4.4
355.06693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03405	0.7
59.01373	1.2
59.84648	0.6
66.33073	0.6
66.36372	0.6
67.43828	0.5
69.03461	2.4
71.01371	0.7
71.09848	1.4
83.05036	1.4
84.02175	6.4
97.02969	1.5
97.06592	10.2
99.04544	2.0
119.05016	0.7
119.08648	0.7
125.09711	1.3
137.09714	1.3
145.76703	0.8
149.13358	0.8
151.11295	0.8
165.12738	0.6
171.08792	0.9
171.10268	17.6
175.11325	1.1
183.13933	2.1
193.10686	0.9
193.12337	12.9
194.12666	1.3
211.13379	4.0
221.11890	1.4
225.14983	18.1
226.15277	1.7
243.16019	8.4
291.19595	1.3
297.20895	0.6
305.21414	0.7
333.71631	0.7
341.23334	100.0
342.23688	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08827	0.4
57.03440	0.7
59.01381	3.1
69.03452	1.8
69.97166	1.0
69.97582	1.1
71.01400	1.5
77.09287	0.4
83.05039	1.7
84.02171	1.9
85.02969	0.5
89.02457	1.6
95.05043	0.9
97.02958	0.8
97.06593	11.8
98.06937	0.4
99.04514	0.8
101.02448	0.6
107.01419	0.4
111.08162	0.6
119.03578	0.4
123.08140	0.7
124.83379	0.5
125.09736	1.8
127.11314	0.5
133.01424	0.6
137.09734	0.8
149.13338	0.8
151.11267	0.5
152.64507	0.4
161.02562	0.5
165.12843	1.7
171.10271	7.0
175.11252	1.3
176.13210	0.4
183.13939	1.0
185.11816	0.6
193.12326	14.8
194.12677	0.9
202.94603	0.4
203.10771	0.5
211.13388	5.6
221.11806	1.8
223.17038	2.0
225.14960	19.8
226.15305	2.0
243.16003	8.5
244.16373	1.0
253.14471	1.7
291.19666	1.6
305.21152	0.7
341.23322	100.0
342.23682	11.4
342.88748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
57.03445	2.1
57.97569	1.0
59.01388	7.6
71.01393	15.3
71.05028	8.7
71.59885	1.1
71.60221	1.6
73.02938	2.3
77.64095	1.0
79.95722	1.7
80.02680	1.5
81.03467	3.1
83.01353	1.3
83.05028	8.9
84.02177	2.8
85.02963	5.4
85.06599	1.3
87.04544	1.5
89.02445	2.1
95.05046	10.8
96.96024	3.8
97.06602	3.1
99.04512	2.3
101.02463	1.5
107.05033	2.7
108.02161	1.8
109.06583	3.3
110.03734	2.2
111.04574	1.3
111.08135	1.2
113.06073	3.6
115.00352	2.2
121.03004	1.3
123.08162	2.0
124.88062	1.0
125.06091	12.3
125.09731	3.2
133.01451	3.3
135.04497	1.6
135.08160	4.0
137.06096	4.2
153.09195	2.1
155.07115	1.7
161.02394	1.4
163.11290	6.5
165.12860	4.2
171.10182	2.0
177.12813	1.9
179.03551	1.1
181.12335	4.6
185.10204	1.6
185.11845	26.5
186.12219	1.6
191.10750	2.0
195.10248	3.2
197.11836	25.3
198.12167	1.7
199.13467	1.0
202.00887	1.0
207.10252	1.0
209.11850	100.0
210.12209	8.2
221.11856	8.1
225.11348	8.0
227.12862	9.6
233.11868	1.8
235.13414	3.4
237.11302	1.2
237.14816	1.1
239.12915	8.6
247.13353	2.2
249.15025	1.6
251.12875	7.5
252.13339	1.4
253.14401	2.1
257.13956	2.2
261.18536	1.3
265.14490	7.2
266.14746	1.3
287.16449	2.8
297.08835	1.4
305.17654	14.9
306.17712	1.3
323.18607	13.7
341.10663	1.4
341.19751	26.2
342.19858	2.7
347.16080	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
57.03455	2.7
59.01380	12.7
61.98809	1.8
62.72057	1.0
63.85480	0.9
69.03450	1.5
69.61423	7.9
71.01385	16.0
71.05013	3.2
73.02946	3.1
79.95734	3.7
80.02679	2.7
81.03461	4.7
83.05030	9.8
84.02174	9.7
85.02967	2.9
85.06599	2.3
87.04528	1.3
89.02445	3.7
93.03467	1.4
95.05023	23.0
95.95218	2.3
96.05354	1.1
96.96011	21.2
97.02942	1.5
97.06571	2.7
99.04531	2.1
101.02451	3.1
102.05611	5.3
107.05011	1.4
109.02968	1.5
109.06606	2.7
111.04504	2.7
111.08181	1.9
113.02489	2.3
113.06089	25.2
115.00371	3.2
119.03464	1.8
121.06621	2.1
123.04570	1.9
123.08141	1.8
125.06084	3.6
125.09761	5.2
128.03558	4.2
133.01440	2.4
135.04524	2.4
135.08218	2.0
137.06064	2.9
137.09660	1.5
139.07648	1.2
151.07654	3.6
151.11275	1.5
163.11284	5.9
165.12842	4.4
171.10284	6.4
179.03539	1.9
179.05685	1.8
181.12326	5.7
183.10228	1.2
185.11804	11.9
195.10202	2.6
197.11829	6.9
201.11330	3.8
209.11826	100.0
209.45694	1.1
210.12158	8.7
211.13350	1.7
221.11835	2.7
223.13379	2.7
225.11327	13.3
227.12856	17.8
228.13193	1.1
235.13338	3.6
239.12816	1.8
243.12569	1.2
246.44440	1.1
247.13370	2.1
251.12929	2.7
252.07970	1.1
257.14041	1.2
259.01428	2.1
265.14459	6.3
277.11975	4.8
282.20081	1.1
287.16669	2.0
304.10828	2.3
305.17609	9.0
319.64716	3.7
320.15070	1.2
323.14960	1.9
323.18573	14.2
324.19101	1.8
341.10809	2.1
341.15720	1.5
341.19702	30.0
341.23416	1.3
341.64270	9.7
342.14224	2.2
342.20001	3.6
358.18121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1242
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
51.47539	0.5
57.03451	29.8
58.03780	0.5
58.69080	0.4
59.01376	0.8
59.14315	0.4
71.01388	4.7
75.00881	1.8
89.02454	1.0
93.03448	1.3
98.19838	0.9
98.36448	0.4
104.82191	0.4
109.02962	2.7
115.00391	2.5
121.02967	26.2
122.03304	1.0
133.01428	2.7
133.02928	0.5
134.03748	8.7
135.04544	0.9
147.03044	0.6
149.02400	1.5
149.06111	2.2
153.00162	0.4
161.02486	0.9
163.04056	0.4
165.00150	3.7
165.04042	4.4
166.00911	1.7
175.03932	0.5
175.79292	0.4
179.07149	100.0
179.35040	0.4
180.07475	5.7
180.99625	0.7
181.03314	0.5
193.05083	3.5
197.23709	0.4
224.98647	0.5
225.02257	4.1
225.07640	1.7
225.14362	0.4
282.08945	1.0
341.12201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.5
69.03443	0.4
80.69538	0.4
83.05005	0.7
96.77085	0.3
116.05074	16.1
117.05432	0.5
154.07608	0.3
167.14389	0.8
183.13927	8.3
184.14207	0.4
193.12370	2.1
211.13408	100.0
212.13744	7.4
223.13405	6.4
223.69940	0.5
224.13792	0.8
330.97473	0.4
340.19220	6.3
341.19592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.55764	0.6
51.94167	0.5
59.01392	5.8
59.87827	0.5
61.35221	0.5
69.33580	0.5
70.08434	1.1
70.08820	1.3
71.01385	3.9
73.02930	0.7
75.00897	1.0
85.02975	0.9
89.02443	2.0
99.24474	0.5
101.02434	1.3
105.03443	0.7
106.47581	0.5
113.02467	1.5
119.03513	0.6
119.05028	1.6
129.01865	0.8
132.02159	1.6
133.02956	25.5
134.03682	0.8
135.04533	39.3
136.04912	1.0
137.02396	0.7
145.95807	0.6
149.06110	0.7
160.01718	0.5
161.02451	100.0
162.02786	5.5
163.04071	2.8
177.01938	2.7
177.05589	0.9
178.02289	1.9
179.03520	46.1
180.03780	1.5
195.05086	2.2
203.03499	2.9
221.04442	1.2
251.05611	1.5
281.06601	1.3
309.20187	0.5
341.08740	16.7
342.09012	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03466	0.3
57.97559	0.4
59.01091	0.6
59.01386	11.2
61.98836	9.3
71.00993	0.5
71.01386	8.9
71.58823	0.3
72.99298	0.8
73.02964	1.0
75.00899	0.7
78.95932	0.8
79.99510	0.4
83.01374	0.5
85.02959	1.7
87.00895	0.7
88.44257	0.4
89.02448	8.1
92.92812	0.4
93.03468	0.8
96.96947	0.9
99.00890	0.4
101.02444	4.2
113.02454	2.0
114.75948	0.4
115.00421	0.9
117.01917	0.9
119.03503	3.2
119.05062	0.5
132.02177	1.0
133.01421	0.8
133.02963	24.4
134.03355	0.7
135.04541	11.2
136.04863	0.7
137.02510	0.4
139.00217	0.5
143.03514	0.5
145.06180	0.4
146.96623	1.8
149.04633	0.5
149.06097	1.1
161.02454	100.0
162.02802	5.3
168.01398	0.3
173.00945	1.5
175.04016	1.3
177.05560	1.4
179.03500	18.9
179.05594	2.2
179.07031	0.6
180.03822	1.4
186.02592	0.4
187.02740	0.4
187.98871	0.8
203.03549	6.7
221.04539	1.7
233.04721	0.5
239.95236	0.5
239.97411	0.8
251.05695	0.8
281.06677	2.3
341.00009	0.4
341.08621	11.1
342.09271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
66.16886	0.5
71.01360	0.8
71.60586	0.7
83.05074	0.6
89.02450	1.2
116.05071	38.7
117.05399	1.7
167.14406	0.6
183.13911	6.7
193.12291	1.0
195.13884	0.7
205.12396	0.7
211.13397	100.0
212.13779	5.6
223.13391	10.1
296.97903	0.6
340.19147	10.7
341.10843	0.8
341.19421	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	340.1261
Annotation	3-Trehalosamine
Peak:m/z	Relative Intensity
57.40420	0.4
59.01377	3.5
61.98834	1.5
64.36652	0.4
66.00995	0.6
69.25658	2.8
69.26080	1.6
71.01389	2.8
72.00910	2.7
73.04039	0.4
75.00866	0.7
78.95912	0.9
87.00916	0.7
88.04042	0.5
89.02441	2.1
96.04546	0.5
96.95955	0.5
96.96960	1.4
99.00879	2.5
101.02444	1.7
103.77769	0.4
110.65050	0.4
113.02451	0.7
119.03505	0.6
119.04985	0.5
133.01576	23.6
133.02930	1.9
134.01923	0.5
134.03755	1.2
135.04538	23.2
136.04070	0.6
144.03004	1.0
149.04776	0.8
151.02635	0.6
158.99788	0.9
161.02464	8.0
161.04581	0.8
163.03906	0.6
163.05038	4.6
164.46324	0.4
176.56964	0.4
177.01935	1.5
177.04311	0.5
177.06575	0.8
178.02313	2.1
178.07349	100.0
179.03506	22.5
179.05251	0.3
179.05847	0.4
179.07729	3.7
182.01413	0.6
183.99258	2.4
186.99268	1.8
190.07397	0.4
192.08914	1.1
196.97646	2.4
210.00819	2.5
214.00352	4.4
214.98868	0.6
220.08322	0.6
225.08833	0.9
226.00327	7.1
227.03453	0.4
241.99837	0.7
243.09854	2.3
252.01962	2.2
263.03531	1.4
281.04550	4.0
295.06177	0.9
323.05600	2.6
340.12622	49.0
341.08737	3.5
341.12863	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	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
71.23347	0.9
71.23687	0.6
115.68000	0.5
116.04280	0.5
135.06747	0.6
163.11292	100.0
164.11624	4.8
247.87175	0.5
339.23294	87.7
340.23590	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	339.2178
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
59.01375	7.0
61.98832	3.2
68.94669	1.8
70.00673	5.9
70.01067	3.3
71.01381	5.1
75.01443	2.2
77.35880	2.5
83.69571	2.1
87.69436	2.1
97.06580	2.3
98.19902	2.8
101.06062	2.6
125.78413	2.0
128.85164	2.2
136.02313	2.1
137.09688	3.0
139.11362	3.3
155.10745	3.0
163.11292	2.9
167.10728	7.2
171.10220	11.6
178.09953	7.9
179.14471	2.1
183.01236	12.8
185.11670	2.6
193.15945	3.4
219.13942	2.6
223.13318	6.0
235.13394	14.5
237.14972	100.0
238.15289	4.5
241.14334	3.7
253.14471	10.0
265.17780	3.5
287.14658	2.3
293.21027	4.4
321.20712	94.5
322.21146	5.9
339.12817	6.1
339.16318	19.7
339.21887	28.6
340.16721	3.1
340.22095	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	339.0874
Annotation	Piperphilippinin IV
Peak:m/z	Relative Intensity
57.94765	3.2
59.01377	8.1
69.55892	18.0
89.57606	3.3
94.67254	3.3
121.02966	57.7
132.05788	3.2
140.62172	3.4
141.55069	3.0
147.04532	85.7
148.04898	3.0
151.00421	8.4
179.10797	3.2
183.01205	12.2
187.11279	6.5
193.10222	46.7
194.10547	2.9
205.10335	4.1
207.08231	6.4
207.11771	9.1
211.13406	5.8
217.41782	2.9
221.09737	6.6
223.07640	6.3
225.05554	5.0
225.22549	3.4
237.14873	3.7
241.14436	5.0
251.07217	16.1
251.10825	26.5
254.05974	4.5
265.18085	5.8
295.09760	88.4
296.10123	7.7
321.20328	3.4
339.08731	100.0
339.12216	8.3
339.16281	13.5
339.19913	4.8
340.09207	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56036	1.4
62.64381	1.4
70.22041	5.2
71.01391	32.3
98.19991	1.6
115.00387	34.4
133.01430	24.8
135.11803	14.9
142.35757	1.7
155.11700	1.4
168.37358	1.5
179.10786	100.0
180.11142	7.8
223.09772	27.0
224.10152	2.4
278.52112	1.8
313.39804	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	339.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32070	0.9
51.56728	0.9
58.53091	0.8
59.01377	4.3
69.55960	3.7
69.56371	1.8
71.01382	8.5
78.95930	1.6
87.17789	0.7
96.96007	1.0
96.96986	1.9
98.19901	1.6
115.00368	9.6
123.04496	0.9
132.04552	2.0
133.01445	3.1
134.06088	1.3
135.11816	3.9
142.99771	0.8
145.02969	4.3
149.02383	1.8
149.06017	1.0
159.04521	1.0
163.03984	1.8
164.04761	1.1
171.10245	1.2
174.01698	1.2
179.07219	1.2
179.10788	27.4
180.11076	1.9
185.02440	0.9
186.54248	0.8
191.08670	2.1
203.06995	1.2
207.08112	2.3
217.06609	2.0
218.07254	1.1
219.08231	2.1
220.05225	1.4
221.06055	2.7
223.06033	1.1
223.09692	7.6
225.09218	1.2
234.06773	1.5
235.07645	7.4
237.09262	2.0
239.07217	0.9
245.06078	1.9
246.06746	2.2
247.07687	2.2
251.07202	1.8
252.07828	2.0
253.05145	0.9
253.06352	0.9
253.08672	6.7
262.06567	1.6
263.07101	18.1
264.07663	2.4
265.08624	2.1
268.11130	2.5
273.05557	1.3
274.06259	1.2
275.07126	2.8
276.07950	1.0
279.11368	1.8
280.07419	2.3
281.08194	31.2
282.08533	2.4
289.01941	0.8
290.05850	1.1
291.06653	6.9
292.07385	2.5
293.08215	8.7
294.08734	4.0
295.09647	1.9
296.10565	3.8
306.09149	1.1
307.09784	3.8
308.07101	2.0
308.10538	6.0
309.07718	100.0
310.08032	10.4
323.09262	26.5
324.10025	70.0
325.10355	7.4
339.12350	65.6
340.12689	6.7
362.32648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	Sinapoyl malate
Peak:m/z	Relative Intensity
56.07014	0.9
63.97650	0.8
71.01387	30.8
79.18182	0.8
79.71648	0.8
86.18146	0.9
103.92073	0.7
115.00373	9.8
121.02946	10.9
133.01453	5.0
147.04517	5.3
149.02446	67.7
150.02782	2.5
157.43298	0.9
163.03940	1.1
164.04793	47.1
165.05069	2.7
179.07094	3.6
193.01421	3.9
195.19650	1.0
208.03790	6.0
208.06282	0.9
223.06114	100.0
224.06535	5.8
269.89343	0.8
300.59439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	25.3
71.26954	2.7
72.99309	2.0
80.14353	1.5
85.16277	1.6
87.57814	1.7
95.64476	1.7
114.99555	1.7
115.00380	48.7
121.02956	12.4
133.01437	100.0
134.01843	1.7
140.91646	1.6
147.04462	2.5
149.02446	72.3
150.02779	3.4
164.04796	63.4
164.06165	3.1
165.05101	2.6
165.70641	1.3
179.07100	4.5
192.88466	1.6
194.11819	1.5
207.64900	1.5
223.06126	86.7
224.06485	3.1
237.82782	1.6
251.23956	1.6
303.06989	1.7
331.67053	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	339.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.5
71.01388	42.8
71.60299	5.6
72.99319	10.3
75.64180	4.4
89.02459	17.8
96.96018	13.1
97.06551	7.5
99.00896	7.9
99.79788	5.5
115.00369	32.8
117.01944	10.0
121.06589	6.4
132.04549	53.7
134.06148	31.8
135.11801	11.4
142.99875	17.5
149.06024	5.0
153.05573	7.2
165.00122	5.1
167.07150	12.5
171.10341	8.0
173.00885	10.8
174.01756	6.5
175.02489	5.0
179.10779	100.0
180.63678	4.3
193.05107	6.0
211.06180	5.1
223.09772	28.8
225.07652	13.9
226.43567	5.6
263.07266	6.4
271.08304	5.5
279.11377	51.5
280.11673	5.0
281.08234	15.8
309.07678	63.7
323.09436	12.1
324.10049	29.6
339.12424	36.8
340.12634	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	339.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44581	1.1
69.26911	8.6
69.27335	3.1
71.01392	25.8
85.02984	1.5
90.20403	1.0
109.18827	1.1
115.00379	14.4
117.03462	1.2
119.05038	1.5
121.02962	10.9
133.01439	19.2
135.04530	1.9
136.71344	1.0
147.04541	3.3
149.02443	73.2
150.02769	3.3
162.77020	1.1
164.04790	51.1
165.05101	2.8
179.07123	3.9
193.01399	3.1
199.26802	1.1
208.03760	4.7
223.06116	100.0
224.06381	5.3
276.58026	1.2
320.12958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0883
Annotation	6-OH-I3CO2Glc
Peak:m/z	Relative Intensity
50.55216	1.8
55.01856	1.9
56.04922	1.4
57.04356	1.4
58.00605	4.0
59.01382	100.0
70.78219	3.1
70.78571	2.2
71.01388	56.0
72.99307	3.7
73.02936	2.4
73.43667	1.4
73.44498	1.5
77.11589	1.5
79.53993	1.5
83.01403	2.3
85.02953	11.8
87.00874	3.5
89.02448	48.3
90.02759	1.6
95.01370	3.9
101.02454	29.4
113.02457	25.8
115.00404	2.2
119.03506	20.3
131.03696	4.7
132.04562	40.6
133.01439	2.9
133.04933	2.2
143.03499	2.5
143.97438	1.7
148.04041	25.3
149.02417	2.3
158.02483	24.5
159.02740	1.6
164.04855	1.8
176.03532	74.2
177.01930	5.3
177.03816	3.7
179.05667	4.1
213.29163	1.8
218.04585	33.0
219.04840	1.9
223.06078	2.4
248.05743	7.2
278.06689	47.1
279.07071	4.8
338.08810	79.8
339.09174	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	338.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70662	1.3
56.46130	1.6
59.01374	3.5
59.87952	1.5
61.98817	4.4
64.50912	1.4
71.01392	4.8
71.58697	3.4
72.00899	3.0
73.02958	1.9
73.04076	39.2
74.02478	74.4
78.52514	1.6
83.02507	13.8
83.49209	1.6
85.04082	8.1
87.05642	30.6
88.04046	1.8
93.03461	2.9
99.75690	1.7
100.00401	1.6
101.02424	2.6
107.04989	1.6
113.03572	16.7
113.07224	5.1
115.00364	2.7
118.05114	3.0
119.05037	50.3
120.05382	4.3
124.87653	1.7
127.05112	1.6
130.08719	1.5
132.04520	2.3
133.01427	5.3
133.02977	1.9
134.06108	4.2
135.04541	1.9
144.07797	35.5
163.03996	2.0
164.07162	1.7
170.09232	3.6
175.02751	8.0
176.03548	9.6
176.07169	40.6
177.01961	14.7
178.05086	3.8
180.06702	7.4
188.06772	14.1
195.99309	1.4
202.08687	2.6
219.07738	21.7
220.08200	2.3
222.04015	2.2
223.06137	1.7
237.08820	9.2
250.11903	3.9
264.13519	2.2
294.10977	100.0
295.11212	9.9
308.12469	9.6
338.08957	5.0
338.13495	27.2
339.12213	2.3
361.33353	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84093	1.2
54.60892	0.9
54.71078	0.9
57.12495	0.9
58.17107	1.0
59.01382	100.0
63.59722	1.0
67.74318	1.1
67.90223	0.9
71.01398	3.8
71.59998	1.3
74.35515	0.9
79.33291	1.0
79.93974	3.3
83.05006	1.6
85.02942	1.7
94.06607	2.0
95.95248	1.7
96.96045	1.7
101.02467	1.9
111.00890	3.4
135.04518	1.9
149.06056	1.5
157.03345	1.3
161.02490	1.8
173.00883	1.5
175.04341	3.9
177.04338	2.3
221.03107	1.2
260.09198	2.0
278.10358	13.3
337.09668	8.9
338.12570	8.3
356.58176	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2385
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
59.01369	4.5
71.44631	1.5
94.75076	1.1
96.96011	2.2
117.18240	1.1
209.65283	1.1
255.23282	1.8
305.21158	6.6
337.23840	100.0
338.24210	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	337.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.9
58.26493	1.9
58.35994	1.8
59.01384	22.1
63.29477	2.1
68.62807	1.7
71.01389	41.1
71.05022	86.6
71.60587	1.8
72.05370	2.4
85.02948	2.2
85.06602	2.0
96.96021	4.3
97.06610	5.3
101.02425	2.0
109.06675	2.1
115.00368	19.6
116.05038	3.7
125.06086	2.1
133.01389	2.1
154.31531	1.9
157.43665	1.9
161.09561	2.1
177.12883	9.2
218.02794	3.7
221.11818	100.0
222.12140	6.9
337.23172	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	336.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55474	1.1
54.64525	1.0
59.01387	5.9
61.98820	3.3
67.02995	2.2
70.04172	4.7
71.01359	1.5
73.02924	2.1
78.95918	13.3
85.02926	1.4
110.03609	33.0
110.98526	9.2
111.02013	100.0
129.01913	1.8
130.08748	94.9
131.09053	3.6
139.49576	1.0
192.98967	4.0
225.01715	7.6
302.39572	1.1
336.06039	5.5
337.04370	3.7
357.73065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.9402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06983	0.5
59.01398	1.1
61.98845	1.1
68.25741	0.5
70.03233	1.3
78.20341	0.5
83.23496	0.6
87.98653	0.6
96.96035	1.1
119.93714	1.4
134.96097	18.3
135.96207	1.1
136.94014	76.3
137.94069	5.2
151.92732	5.0
152.91774	31.3
152.93028	1.2
154.92238	0.5
167.90480	3.8
178.95067	100.0
179.95172	7.4
194.92813	52.3
195.93150	0.9
210.90797	1.8
212.93855	4.1
218.93169	0.5
247.87125	3.9
248.37201	2.1
248.87126	2.4
250.93983	1.8
252.91849	4.8
256.87680	4.0
274.88748	15.0
275.88751	2.4
276.86713	1.5
287.84961	5.3
288.34949	3.4
288.84833	2.4
292.95053	8.0
293.95166	0.6
294.92899	19.7
295.93118	1.6
316.84579	1.4
336.83334	3.0
336.93982	78.4
337.94147	8.3
354.84476	4.5
355.84674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2594
Annotation	Subamolide C
Peak:m/z	Relative Intensity
58.74557	0.9
102.16819	0.9
151.70116	0.9
157.96042	0.9
179.80624	0.9
235.15572	1.0
335.25931	100.0
336.26266	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	336.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11127	1.5
57.03449	9.0
57.97582	2.3
58.00574	1.9
59.01384	16.2
61.98839	2.8
68.99817	8.9
71.01383	44.5
71.59782	1.7
72.12949	1.6
72.99311	2.4
83.01386	3.9
85.02940	9.7
87.00883	7.7
88.26795	1.8
89.02462	5.3
92.05072	2.3
96.95992	2.2
97.02950	2.2
99.00883	24.0
101.02439	1.9
102.00092	1.7
111.00875	13.6
113.02454	1.6
115.00371	1.9
128.01747	3.4
128.03548	2.3
129.01945	39.4
131.03773	39.6
133.82994	1.9
135.04507	1.6
143.04686	2.4
144.04550	3.9
145.05316	8.6
146.06123	100.0
147.06479	5.4
150.61818	1.8
159.03023	9.3
172.07646	2.0
173.04832	2.7
174.05571	2.8
177.04039	5.5
185.04825	4.0
186.05551	1.6
187.06367	3.3
188.07150	4.9
202.08765	10.2
203.05911	2.3
210.05670	2.2
211.06380	6.8
216.06650	1.8
218.08211	47.8
219.08594	5.0
234.07881	4.7
240.06729	2.3
244.09760	19.5
246.07706	3.0
248.09283	2.9
254.07877	1.8
258.07657	2.4
276.08875	6.6
318.09796	2.9
336.10895	10.5
336.16751	2.6
337.07645	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	334.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33084	0.4
59.01388	0.8
61.98834	100.0
71.01402	1.0
71.60157	0.5
73.04077	1.2
79.94927	0.4
81.90704	0.4
84.04569	1.0
96.96015	3.2
98.02485	0.9
99.00917	0.8
100.19846	0.4
110.54122	0.4
111.04578	0.6
115.00457	0.4
120.92035	0.4
128.03551	0.9
129.10310	0.4
131.08276	0.6
135.04530	0.6
145.45183	0.4
147.04521	0.9
164.07228	1.5
172.36938	0.5
174.01755	0.7
176.01833	1.1
186.12578	1.5
190.03165	0.4
193.05139	1.0
202.02806	1.2
247.05479	1.1
277.88895	0.4
334.17651	2.8
335.08038	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	335.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33120	1.4
59.01383	100.0
70.97275	3.2
71.01379	3.6
79.95747	9.5
85.26111	1.2
95.95239	14.7
96.96024	8.2
97.94811	1.9
98.85207	1.2
102.05628	1.8
110.94892	1.6
126.00162	2.5
158.98175	2.6
160.97716	2.0
179.03513	1.6
201.15036	2.2
207.97345	3.2
218.00764	1.5
223.62863	1.7
268.64651	1.5
283.16345	1.4
283.57507	1.3
326.78366	1.6
335.22174	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23738	5.2
58.37463	4.6
58.79881	4.4
58.94130	4.7
59.01382	62.6
59.71956	4.1
63.43203	4.8
64.03848	5.0
71.02187	13.1
77.01906	4.5
89.19145	5.5
99.00607	12.9
102.95130	5.4
116.14140	4.1
126.23221	4.9
139.45413	5.0
145.51486	4.6
253.21739	100.0
254.22015	7.7
255.01796	6.3
302.00061	6.0
335.22083	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26847	0.3
57.85884	0.3
59.01377	2.1
60.08541	0.3
71.01379	1.2
78.95899	0.4
91.05464	0.3
92.58121	0.3
98.20638	0.8
104.84361	0.3
116.05068	100.0
117.05397	4.4
148.93625	0.5
152.99603	0.3
160.03999	0.4
172.04051	36.0
173.04381	1.9
289.09830	23.5
290.10162	2.9
291.03653	0.5
333.08850	24.6
334.09390	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0597
Annotation	GroPIns
Peak:m/z	Relative Intensity
50.11716	0.3
54.49781	0.4
61.08002	0.4
62.96437	0.4
63.63902	0.3
70.90771	0.9
71.53715	0.4
78.95911	97.6
95.38471	0.4
96.96973	20.4
108.22215	0.3
111.66431	0.5
148.43629	0.4
150.98105	1.0
152.99599	81.3
153.99940	1.3
171.00641	9.4
223.00121	0.8
241.01199	37.8
242.01588	0.9
259.02246	2.4
307.77188	0.4
333.05930	100.0
333.95929	0.7
334.06250	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	333.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79816	0.9
59.01376	1.3
60.92473	0.9
69.54005	4.0
69.54428	3.3
71.01385	13.3
72.99312	30.7
78.95908	21.7
80.61734	1.0
93.95760	1.2
96.96974	3.7
103.92043	1.3
107.05022	1.4
115.00385	24.5
121.02966	2.4
132.02194	1.4
133.01483	5.0
133.02972	20.7
134.03766	19.7
135.04546	97.5
136.04878	3.7
137.02438	1.6
152.95975	27.4
152.99605	16.8
161.02460	64.7
162.02809	2.6
170.97031	28.4
171.00630	1.3
178.28802	1.1
179.03510	79.0
180.03877	4.6
189.49281	1.0
204.99124	10.7
216.99094	100.0
217.99443	5.2
229.58354	1.3
241.01225	7.7
241.29178	1.0
333.00165	2.7
333.05948	23.3
334.05679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52066	0.6
59.01381	25.4
63.75708	0.5
63.91958	0.5
69.43803	1.3
69.44211	3.0
71.62214	0.5
98.19901	1.2
109.60828	0.5
121.09531	0.5
177.16458	0.7
178.16896	0.5
205.19586	1.1
231.17552	1.1
249.18600	100.0
250.18935	8.4
268.09421	0.6
331.15161	0.8
331.18951	15.0
331.22894	0.9
332.19357	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1914
Annotation	PGB3
Peak:m/z	Relative Intensity
51.10453	1.8
54.07369	1.6
55.61251	1.5
57.03194	1.9
57.03451	24.2
59.01368	3.3
69.91125	1.7
69.97678	4.5
72.25166	1.7
79.05527	6.3
83.05022	8.9
85.84361	1.7
85.99306	1.7
86.94209	1.6
93.60876	1.6
119.08688	3.8
121.06580	2.4
137.09709	3.6
145.10272	3.9
183.90498	1.9
185.13326	2.3
187.11162	2.3
203.14450	2.1
251.18007	4.3
269.19171	3.6
331.19150	100.0
332.19415	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	330.047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00346	0.8
55.01881	0.7
56.37246	0.5
59.01368	1.0
61.98835	25.8
65.99850	2.2
66.03493	2.4
67.01887	1.4
67.59052	0.5
68.01416	5.6
68.99818	14.7
69.99764	2.4
70.02975	1.6
71.01383	3.1
72.99317	1.5
78.03488	0.7
78.95913	1.1
79.95740	0.9
81.02182	0.5
82.02998	4.4
83.00117	1.6
83.01400	2.3
84.00900	2.3
84.63604	0.5
87.00886	15.5
94.02976	5.5
95.95254	1.5
96.00918	4.3
96.04551	4.2
96.96006	3.1
96.99319	9.1
97.02953	1.9
98.02484	1.9
99.00887	10.5
102.05641	0.9
102.94398	0.9
106.02992	0.8
110.02489	7.3
111.00904	1.1
112.00420	13.3
112.04066	1.9
115.00372	1.4
119.94707	1.9
122.02496	3.1
124.00411	20.0
124.04038	5.8
125.01290	1.0
125.02466	1.5
126.01978	9.4
127.00365	5.5
128.03546	1.1
130.95193	0.6
133.01447	0.9
135.92068	0.9
136.98601	1.8
138.01968	13.5
140.03528	8.6
142.96567	0.6
142.97554	1.5
142.99840	1.0
145.01367	0.8
146.04588	2.4
150.02319	3.8
151.00417	1.5
151.99908	2.5
152.03526	1.7
152.99644	0.8
154.01474	1.5
154.99664	2.4
157.01437	2.9
159.03011	4.0
166.01495	3.8
166.97548	1.2
168.03027	22.9
169.01407	1.3
173.00842	0.6
180.03018	1.0
182.00934	1.3
183.88623	0.6
184.02525	11.8
185.02843	0.8
186.04089	15.5
196.02524	3.3
198.04092	8.8
210.00543	3.0
225.91554	3.5
226.03618	5.7
228.92892	2.3
228.97572	8.8
230.03009	1.6
242.03036	5.9
243.03542	0.8
243.86377	0.5
245.04190	0.6
255.94757	1.2
256.04547	1.2
270.02573	27.0
271.02826	1.2
271.97232	2.2
330.04672	100.0
331.04788	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
57.03443	0.7
58.55231	0.6
69.43073	5.3
78.08542	0.6
83.05091	0.7
92.14442	0.6
99.08165	6.0
125.09715	1.4
127.11282	2.7
129.09245	1.0
139.11276	3.2
155.10817	0.9
155.14470	0.6
165.12892	0.6
167.14377	1.5
171.10283	8.0
183.13907	5.8
193.12341	2.1
199.13426	1.2
209.11839	1.6
211.13396	28.4
212.13712	1.3
229.14456	16.7
230.14743	1.2
293.21320	1.3
311.22348	0.8
329.23340	100.0
330.23645	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	330.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37881	0.9
54.97939	0.8
59.01375	1.1
60.26614	0.8
65.99847	1.4
66.03484	2.3
67.01895	1.6
68.01410	5.3
68.99821	14.8
69.03411	0.8
70.02962	1.2
71.01407	1.4
82.02977	3.5
83.00131	1.4
83.01391	3.0
84.00916	2.6
87.00883	2.4
90.87125	0.7
94.02494	0.8
94.03000	4.9
96.00915	3.1
96.04560	4.2
96.99313	9.7
97.02950	1.0
98.02485	2.5
99.00880	7.0
108.04523	0.8
110.02480	6.1
112.00422	11.7
112.04058	2.6
115.00345	1.1
122.02478	3.2
122.06154	1.5
124.00407	18.4
124.04026	4.3
125.01195	1.0
126.01978	9.1
127.00384	4.8
138.01981	11.3
140.03560	9.4
150.01933	1.0
150.05640	2.2
151.99908	1.6
152.03491	1.5
154.01459	1.1
157.01408	2.7
159.02948	4.6
166.01466	4.4
168.03032	22.1
184.02518	10.3
186.04102	16.6
196.02483	3.1
198.04071	7.4
210.00470	3.0
222.19847	1.0
226.01976	0.7
226.03673	6.7
242.03046	5.7
270.02557	27.1
271.02911	2.0
312.10907	1.5
330.04678	100.0
331.04916	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	329.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97552	0.7
58.00605	1.8
59.01382	5.7
64.57898	0.6
66.38624	0.6
70.66609	2.1
71.01398	1.0
77.12365	0.6
83.05020	0.8
83.14593	0.7
88.99093	0.7
97.06634	0.8
98.05506	0.7
99.08170	7.2
99.92617	0.8
111.00860	1.0
111.08132	0.7
121.02883	0.7
127.07630	1.7
127.11359	1.3
129.09251	6.4
137.09792	0.7
139.11282	1.0
169.12349	4.9
171.10281	1.8
181.12424	3.3
183.13954	1.1
185.11859	2.2
187.50645	0.7
193.12399	1.2
197.11845	2.3
199.13423	13.9
200.13867	1.0
211.13383	8.4
227.12840	0.7
229.14429	2.1
293.21277	2.9
311.22241	4.4
329.23349	100.0
330.23685	10.6
352.79404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
51.13886	0.4
51.57973	0.4
58.00592	1.4
59.01382	3.4
59.49268	0.4
71.09264	1.0
97.06567	0.7
99.08159	7.4
111.08184	0.5
113.09729	0.7
122.02638	0.4
127.07670	1.3
129.09229	6.8
130.09624	0.6
131.54012	0.4
155.14412	0.7
169.12347	4.8
181.12355	4.7
183.13963	1.6
193.12326	1.6
197.11897	2.6
199.13431	17.6
200.13724	1.0
211.13403	12.4
212.13708	0.8
227.12856	0.9
229.14453	1.5
275.20157	0.7
293.21194	3.2
311.22217	2.4
329.23346	100.0
330.23694	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	329.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72977	0.4
58.00591	1.4
59.01130	0.4
59.01385	4.5
66.70799	0.3
71.01380	0.4
72.04627	0.3
72.99321	0.7
83.05029	0.4
97.06583	0.5
99.07542	0.5
99.08167	7.9
100.08530	0.3
113.09769	0.6
115.07647	0.5
115.63336	0.4
115.64317	0.3
116.05080	0.4
127.07666	1.6
127.11378	0.4
127.82059	0.3
129.08305	0.5
129.09229	6.6
153.12881	0.7
155.10757	0.4
155.14404	0.5
161.20837	0.3
163.11272	0.5
167.14444	0.5
169.12358	6.2
171.10229	0.6
181.12350	4.7
182.12680	0.7
183.10207	0.3
183.13908	1.6
193.12332	1.9
197.11874	1.9
198.12180	0.5
199.13402	21.1
200.13762	1.2
211.13406	9.9
212.13795	0.6
227.12831	0.9
229.14487	0.9
273.84857	0.3
275.20062	0.5
293.21344	2.0
311.22382	2.6
329.23343	100.0
330.23672	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	329.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94795	2.2
57.97564	6.0
59.01387	22.0
61.98838	14.1
62.21998	2.1
62.70576	2.2
67.01913	3.6
69.46415	3.8
69.46822	13.1
71.01392	7.2
76.79954	2.1
79.32779	2.0
83.01391	63.4
83.05015	2.9
94.02934	2.1
96.96049	3.7
99.92628	3.0
101.02472	3.2
106.06612	4.4
107.06519	2.6
111.00842	3.4
111.18138	2.4
115.92096	3.0
116.05074	45.4
116.91128	2.7
116.92892	5.7
124.03812	2.4
125.09712	4.3
127.08729	2.7
135.04514	4.4
139.00322	5.3
140.18752	2.1
153.09093	2.2
156.08200	3.7
167.14449	2.9
168.08192	2.5
169.05347	16.3
170.05954	3.4
171.07785	2.6
171.10277	19.5
179.03436	2.4
183.13947	5.5
184.07613	3.5
185.11826	2.8
193.12370	33.5
211.13394	100.0
212.05376	2.6
212.07079	13.5
212.13712	4.4
226.10852	2.9
237.11276	6.4
241.13441	6.8
255.12392	41.5
329.06247	6.4
329.12686	5.1
329.16153	55.4
330.08374	2.8
330.16440	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	329.1145
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
59.01378	4.0
63.84997	0.8
66.03481	0.8
70.03487	4.4
71.01388	1.3
79.13573	0.8
82.02997	11.6
96.96009	8.7
104.05099	1.0
106.06624	12.0
108.04552	2.3
110.02480	1.4
121.02961	1.0
122.06144	3.2
128.38589	1.0
132.04561	38.4
132.05565	2.0
133.05325	1.9
134.06129	43.1
135.04591	2.0
135.06506	1.3
136.04045	3.9
139.00452	1.5
144.00961	1.0
149.04857	2.6
151.82143	0.9
159.04527	2.0
160.04070	23.7
160.05315	3.0
161.04834	33.9
162.05615	100.0
163.05994	5.1
175.07646	1.2
176.03514	4.3
177.95891	1.0
193.03810	60.8
194.04257	4.2
212.07202	6.8
213.08119	1.9
213.11342	1.7
214.08774	7.6
226.08801	2.4
241.06184	9.1
242.11888	5.1
243.11430	3.3
255.07631	1.6
257.09296	13.7
267.11325	1.2
268.09821	3.5
269.09378	8.5
285.12457	94.3
286.12814	9.9
287.34338	1.0
290.08835	1.1
311.10403	11.1
312.10883	1.5
329.11505	86.6
330.11765	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1392
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
53.86833	0.6
59.01384	3.4
60.85592	0.8
62.85213	0.6
71.01360	1.7
71.60040	1.0
73.02931	0.7
82.02961	2.6
86.23816	0.6
93.03444	1.0
93.40212	0.6
96.96019	2.6
106.06613	1.7
108.02133	0.6
109.02962	1.3
115.00348	1.0
115.05512	1.1
121.02953	13.3
122.03744	4.6
123.00879	2.6
123.04527	2.6
124.01663	3.3
131.05006	2.1
132.04570	5.4
133.01430	1.3
134.03781	0.8
134.06126	9.5
135.04521	0.7
136.01660	1.3
136.04153	1.1
136.05307	3.2
137.02446	3.3
137.06085	1.0
138.03053	0.6
139.00375	1.2
143.05023	2.8
145.02957	1.9
145.06657	1.2
146.03699	1.2
147.04509	11.8
149.02420	4.5
149.06082	0.7
150.03239	19.1
151.03987	1.8
153.05602	1.4
153.15666	0.6
154.02698	0.7
158.03745	14.2
159.04527	43.2
160.04149	4.8
160.05301	100.0
161.04822	6.2
161.06076	40.7
162.03387	0.7
162.05551	15.3
163.02705	1.3
163.04013	19.1
164.04805	15.9
165.05226	1.3
168.04289	1.4
173.06084	11.4
174.06886	0.5
175.07648	73.4
176.04767	1.4
176.07993	3.9
177.05583	20.0
178.06367	16.9
179.03662	0.7
179.06648	0.7
192.07916	1.4
193.03802	11.6
193.05510	0.9
193.08685	8.4
212.07230	1.1
213.07866	0.7
213.11285	1.2
214.08777	1.3
238.21445	0.6
241.06276	1.5
242.11882	1.1
243.11624	0.9
257.09354	1.9
269.09409	1.3
285.12457	18.3
286.12708	2.1
299.12955	1.1
311.10468	2.6
314.11600	2.8
329.14093	99.7
330.05078	0.8
330.14496	8.9
331.03046	0.6
341.26364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0454
Annotation	cAMP
Peak:m/z	Relative Intensity
61.98820	0.3
67.50771	0.2
71.58216	0.3
78.95923	0.3
90.12894	0.2
90.36243	0.2
92.02542	0.7
107.03636	4.7
113.95525	0.2
122.06107	0.2
134.04735	100.0
135.05182	2.2
138.05637	0.3
158.04678	0.2
166.05090	1.1
172.97601	0.2
188.07794	0.6
202.09341	0.3
279.42334	0.2
286.07883	0.3
289.07516	0.2
328.04611	2.5
329.05035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31610	0.7
56.21531	0.6
58.00600	1.5
59.01371	2.2
68.14277	0.6
69.64133	0.7
69.70898	2.2
69.71304	2.0
73.02934	0.7
81.34646	0.8
83.15888	0.7
85.02961	0.9
90.04971	0.6
90.73451	0.7
97.06602	1.8
97.30116	0.7
98.19893	0.7
99.92573	1.0
106.23874	0.7
106.66645	0.6
108.59356	0.7
115.07670	2.0
121.02973	1.2
125.09810	0.8
139.00392	0.7
145.59277	0.7
153.12830	1.7
154.13190	2.0
155.14409	2.7
155.88809	0.8
156.14766	4.1
156.80116	0.7
171.10291	1.0
172.10603	1.1
183.13985	4.6
184.14253	4.9
186.15829	0.8
199.13409	5.1
200.13733	7.2
210.12350	0.9
211.13388	2.3
212.13747	5.1
227.12918	4.2
228.13245	8.5
229.14467	51.2
230.14799	100.0
231.15065	5.4
286.07413	0.9
292.20001	3.1
310.21078	14.5
328.11169	1.7
328.22238	10.0
329.14059	0.9
329.23203	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	329.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	42.9
61.39397	0.5
61.60482	0.5
61.79727	0.5
61.98832	2.2
69.50967	0.5
71.01393	0.9
74.99371	1.2
87.00922	0.7
114.98831	0.6
115.02525	1.8
117.00459	9.9
118.00562	0.8
125.00952	0.7
126.98899	1.5
128.16728	0.6
143.02002	2.4
157.03654	0.6
159.01505	66.2
160.01584	4.4
168.99934	4.4
170.97858	12.2
171.01540	0.7
171.98065	0.9
184.92691	0.5
187.00998	100.0
188.00951	8.5
190.97321	0.9
201.02562	16.1
202.02753	1.4
229.02219	0.6
232.00996	0.6
232.98317	1.8
241.00471	0.8
251.65086	0.6
259.01614	0.7
260.01257	0.6
274.99414	7.5
275.41934	0.6
275.99622	0.8
311.01105	1.2
328.96957	2.6
329.02438	3.1
330.02237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01379	1.5
59.01641	0.5
63.28014	0.4
70.88322	1.2
70.88676	0.6
71.01379	2.3
73.15729	0.5
74.27322	0.5
79.63554	0.5
80.02668	0.7
81.03458	0.5
88.04051	2.2
107.05080	0.6
108.02180	51.8
109.02484	1.5
115.00378	1.0
123.00924	0.6
123.04531	23.7
123.63085	0.5
124.04882	0.9
133.01445	2.8
151.04005	6.8
152.01155	37.0
153.01534	1.2
167.03500	100.0
168.03851	4.0
196.14627	0.6
197.62430	0.4
213.04036	0.8
213.24756	0.5
290.07983	0.5
294.34830	0.5
329.08615	1.5
329.18262	0.8
330.04770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2541
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
59.01376	7.9
64.07611	2.8
69.80201	9.9
69.80613	5.6
76.58376	2.7
81.03441	6.1
83.05032	19.9
87.74191	2.7
91.03979	5.6
133.01402	3.3
152.60725	2.6
185.00774	10.5
192.20125	2.7
193.23738	3.2
196.80171	3.0
235.20703	28.6
253.21732	100.0
254.22061	7.9
323.55118	2.8
327.18286	20.5
327.21964	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	327.2906
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
54.38088	1.3
56.60007	1.3
59.01385	100.0
65.94266	1.4
71.15408	3.4
75.00878	2.2
78.12352	1.5
109.19472	1.5
132.87616	1.3
185.00841	3.0
211.99548	1.4
264.76736	1.4
303.91330	1.3
327.18262	5.6
327.29065	70.9
328.29492	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	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.27688	0.6
55.96208	0.6
57.03445	1.5
59.01395	3.2
61.98812	0.7
64.52619	0.6
71.01386	5.2
71.05017	0.6
71.31871	1.1
81.03473	0.6
83.01377	1.0
83.05049	1.6
83.92693	0.7
84.02243	0.6
85.02931	1.6
87.04533	0.6
95.05016	1.1
97.06590	1.8
108.04110	0.5
109.06586	0.6
110.03754	1.8
111.04475	0.6
111.08160	1.6
113.09792	0.7
121.10209	0.7
123.08181	2.6
125.06133	0.7
125.09719	2.0
127.07560	0.8
137.09787	0.8
141.12813	1.3
149.09825	0.6
155.10828	1.1
163.11340	0.6
165.12906	0.8
171.10249	3.1
177.12849	3.5
183.13882	2.1
185.11830	19.1
186.12128	0.8
197.11847	9.9
199.13544	0.8
201.11255	1.2
201.54938	0.6
203.10817	1.1
204.80252	0.5
209.11847	9.0
210.12093	0.9
211.13448	2.1
213.09146	0.6
221.11884	7.9
227.12727	0.7
227.16563	0.6
229.14388	0.7
237.11555	0.6
239.12901	7.4
239.16655	1.4
247.20641	0.7
257.14017	1.1
273.18826	0.6
291.19778	5.4
309.20792	4.4
327.21783	100.0
328.22125	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.64126	0.4
57.03438	1.4
58.00610	0.5
59.01410	0.9
69.03468	0.6
69.70710	0.9
69.71108	1.7
70.78164	0.4
71.01375	0.8
83.05038	1.3
85.02962	4.2
85.17078	0.4
95.05057	1.0
97.06608	5.6
98.20602	0.9
110.03744	0.5
125.09711	0.9
127.11270	1.3
137.09744	0.7
155.10799	0.7
155.14427	0.7
165.12834	1.6
167.14409	1.2
171.10275	8.1
177.12839	0.9
183.13934	4.4
185.11841	1.2
193.12354	2.0
197.11810	0.8
203.10796	1.0
209.11844	1.9
211.13391	25.2
212.13771	1.3
221.11856	4.4
229.14441	15.2
230.14807	0.7
239.12947	2.2
247.20677	0.6
291.19608	4.3
309.20731	1.7
327.21759	100.0
328.22110	10.7
335.18674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
57.03447	1.1
58.00599	0.3
59.01374	0.6
67.09293	0.2
69.03459	0.8
70.09956	0.9
71.01374	0.8
71.05037	0.4
72.20254	0.2
73.02954	0.3
80.02659	0.4
81.03463	0.3
83.05031	0.9
84.02166	0.5
85.02448	0.3
85.02961	4.0
95.05025	1.6
97.02921	0.4
97.06595	5.8
98.20493	0.4
109.06579	0.3
110.03730	0.6
111.04501	0.3
111.08144	0.3
123.08154	0.3
125.09732	1.3
127.11295	2.1
137.09691	0.8
149.13362	0.3
153.09055	0.3
155.10779	0.9
155.14412	0.9
163.11255	0.4
165.12845	1.6
167.14398	1.4
171.10278	8.2
172.10677	0.4
175.11259	0.3
177.12816	1.5
181.12346	0.8
183.13904	5.6
184.14311	0.5
185.11821	1.9
193.12352	1.4
195.13918	0.3
196.86256	0.3
197.11841	1.0
199.13428	0.5
203.10751	0.7
209.11829	2.2
211.13396	25.5
212.13708	2.0
221.11842	4.1
227.12842	0.4
229.14439	16.1
230.14703	1.1
232.25807	0.3
239.12927	2.5
247.20526	0.5
273.18555	0.3
291.19662	4.3
292.19922	0.6
309.20651	1.8
327.21759	100.0
328.22089	10.2
338.07037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
58.00606	1.5
70.09256	3.3
91.86624	0.9
97.06600	2.6
98.20521	1.2
106.29688	0.7
121.76708	0.8
152.01163	0.7
153.12846	1.7
155.14417	5.4
167.11320	0.8
171.10286	1.5
183.13953	6.7
197.11693	0.8
199.13417	8.4
211.13423	6.6
218.45877	0.7
227.12883	3.2
229.14442	100.0
230.14793	6.6
235.13319	1.7
291.19617	2.1
309.20728	7.4
327.09128	0.8
327.21732	7.2
328.22290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.8
71.01387	15.5
71.59863	2.7
71.65605	1.7
72.99308	12.7
75.00887	5.7
82.42155	1.6
83.57674	1.7
85.02962	2.7
87.00859	2.0
93.03461	4.7
96.96049	1.9
100.98787	1.6
109.02974	2.2
111.00904	1.9
115.00375	14.7
115.59641	1.7
117.03454	1.9
119.05023	9.1
121.02970	7.4
123.04522	3.1
133.01462	14.8
133.02956	2.3
134.03743	22.1
135.04517	8.1
136.01659	4.1
137.02469	13.9
139.04012	4.6
139.49153	1.7
144.00012	1.7
149.02458	7.2
149.06061	5.3
150.03218	19.1
151.04015	6.7
153.09784	1.6
163.04089	4.6
165.01930	4.6
165.04050	21.5
165.05545	15.1
166.03282	4.4
166.15048	2.0
167.03534	7.1
171.91365	1.7
178.02728	3.8
179.03442	2.6
193.05049	24.6
211.06108	100.0
211.09479	2.7
212.06421	6.8
327.08817	8.3
328.05820	6.3
328.09464	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
58.02982	0.7
59.01382	3.0
60.10572	0.5
61.73136	0.5
71.01382	4.6
71.60108	0.7
72.25945	0.6
72.99309	2.2
73.02955	0.6
75.00877	35.6
75.35732	0.5
85.02961	1.3
87.00883	4.1
89.02449	1.7
93.03468	2.0
95.01406	0.7
99.00878	0.7
99.05654	1.2
101.02453	1.2
105.01951	3.1
108.02177	0.7
109.02944	1.2
113.02425	1.0
114.05604	0.9
115.00364	5.2
119.03501	0.6
119.05038	3.1
121.02961	2.5
123.04472	1.3
123.08222	0.6
123.33681	0.6
125.03053	2.3
129.01956	7.6
133.01440	10.2
133.02977	0.8
134.03763	2.5
135.04529	23.9
136.01654	0.7
136.04865	1.3
137.02480	5.4
137.06123	0.6
139.04033	1.2
140.05420	3.7
143.04662	2.3
147.02975	2.7
147.04532	6.4
149.02472	3.4
151.04056	1.3
163.04036	1.9
165.04056	100.0
166.04359	2.6
167.03505	2.3
169.79828	0.5
178.02676	0.5
179.03508	12.6
180.03725	0.9
184.04356	1.2
185.40712	0.5
193.01363	0.7
211.02696	0.9
211.06204	2.8
211.09810	1.1
283.09689	1.0
309.03192	0.5
312.09824	0.8
327.07797	1.8
327.12253	0.7
327.15994	0.7
328.09686	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	326.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94334	1.2
57.97548	1.1
59.01385	2.9
60.97548	3.0
61.98828	1.4
63.96246	8.1
70.53018	2.4
70.53340	1.1
71.01381	4.9
72.01682	1.0
73.06261	0.9
75.00894	3.6
76.97044	8.0
79.95742	10.8
80.96523	1.2
86.02491	6.4
86.11409	1.0
88.04057	2.4
89.02476	1.1
96.96008	1.3
98.15506	1.0
112.00405	4.9
113.03615	2.4
114.05630	1.7
115.00391	5.6
119.05010	5.8
120.05365	3.8
121.02974	1.2
129.01892	1.0
130.11200	1.1
132.02179	2.3
133.01434	10.0
133.02992	1.4
134.03767	18.3
134.04736	1.6
135.04567	6.0
137.02478	3.6
146.03304	1.2
147.04520	11.0
148.05293	11.6
149.02370	1.8
149.06087	10.7
150.02321	12.7
159.04492	3.2
160.01654	10.6
160.05307	6.3
163.04015	2.6
164.04382	3.8
165.04045	5.9
165.05563	3.1
165.38692	1.1
175.04001	22.3
176.00169	2.5
176.04381	1.9
186.16429	1.1
188.04437	1.3
202.05118	7.5
203.05891	61.6
204.06189	3.8
218.08220	100.0
219.08525	7.4
247.96072	1.2
262.07083	2.2
326.06882	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	325.2173
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
53.54987	0.4
56.29402	0.4
59.01383	0.8
59.53352	0.4
66.64433	0.4
70.83353	0.8
72.14738	0.4
79.95733	0.6
119.05025	0.9
119.11970	0.3
129.45909	0.4
133.06636	0.5
140.85727	0.4
147.55148	0.4
149.09721	91.2
150.10068	5.6
151.00342	2.4
152.32373	0.4
163.11288	100.0
164.11618	5.8
177.22804	0.4
183.01204	27.1
184.01935	2.8
197.02763	1.5
216.00938	1.3
265.25314	1.3
281.28531	0.9
291.06277	0.4
307.26544	0.7
325.18344	46.3
325.21750	95.5
325.27078	6.5
325.67004	0.4
326.18665	5.0
326.22086	12.1
326.27771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.01775	3.5
57.03454	5.0
58.00591	5.2
59.01383	18.3
68.05972	3.4
69.03450	5.8
70.36671	3.4
70.36999	9.8
71.01381	14.1
71.05071	3.5
72.99308	3.9
83.05052	4.2
84.02152	3.6
93.03466	4.7
97.06601	6.6
97.72161	3.6
105.07085	7.0
106.04228	4.6
109.06592	9.2
111.08162	54.1
113.06091	12.5
123.08159	27.4
125.09734	10.5
127.11288	11.0
135.08168	15.9
137.09682	3.9
139.11330	3.9
144.03448	3.2
151.00339	11.6
151.11281	8.4
153.09203	11.0
155.10777	13.5
163.11208	3.2
165.12798	9.5
167.10759	14.2
169.12276	6.0
171.08801	4.6
171.10260	87.7
172.10576	4.1
183.01198	4.0
183.10246	12.6
183.13895	28.7
185.11841	73.1
195.10173	7.4
197.11816	31.9
201.11327	100.0
202.11517	5.2
211.13361	31.1
213.11348	32.9
215.12828	4.0
225.11322	3.4
227.12910	17.5
245.19026	9.5
263.20172	29.3
281.21182	10.7
289.18054	13.6
307.18921	6.5
307.21994	5.2
325.20193	92.8
326.20575	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97934	1.8
57.03446	11.5
59.01375	6.1
69.03447	5.4
71.01385	4.7
71.05017	9.8
71.59990	3.4
73.02934	2.1
80.02700	2.6
83.05023	3.6
85.02958	2.8
85.06586	5.1
85.24820	2.0
87.04505	3.1
91.05557	3.7
95.05017	3.4
97.02948	7.9
97.06589	3.5
104.21587	2.4
107.05048	2.4
109.06596	34.1
111.08204	1.9
125.06055	3.0
127.07658	3.4
151.11290	3.9
159.88467	2.1
167.10765	2.4
169.12340	9.3
181.12326	4.5
183.13849	3.0
193.12321	3.6
197.11833	72.9
198.12115	4.6
199.13376	5.1
209.11858	2.9
211.13420	40.4
213.11371	3.5
219.13791	2.8
227.12845	2.3
235.13374	7.4
237.14961	8.4
244.68526	1.9
249.14819	2.4
289.18033	4.6
307.19220	4.7
325.20197	100.0
326.20511	11.1
331.50620	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	6.5
59.01374	1.9
70.04806	5.6
73.02941	1.0
84.02148	2.0
95.05043	1.9
97.06601	1.8
113.06055	3.4
115.07663	5.5
127.07655	8.3
149.19926	1.2
151.11302	15.1
153.09241	1.6
153.12863	13.4
155.14378	3.1
160.88652	1.1
165.12894	1.9
169.12263	1.1
171.10262	1.5
171.13881	1.4
179.10593	1.2
181.12369	2.6
183.13884	3.0
197.11838	22.3
198.12231	1.6
199.13406	28.9
200.13660	1.3
209.11903	6.5
211.13370	2.4
215.12880	16.5
227.12898	100.0
228.13208	7.2
229.14438	50.7
230.14818	3.6
245.19221	1.4
250.38242	1.3
263.20145	2.6
269.21277	2.1
279.19659	1.9
281.21088	1.9
289.18201	2.8
297.20679	4.0
307.19199	16.3
308.19391	1.3
325.20285	9.0
326.20642	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91706	0.9
68.20274	0.9
71.01388	2.1
80.02692	1.0
81.03468	1.9
83.05022	6.6
84.02160	2.5
91.69973	1.0
95.05033	1.1
97.06593	1.8
99.08161	2.7
115.07645	1.2
123.86971	0.9
125.09673	2.2
127.07666	11.9
129.89455	0.9
139.07671	2.4
143.87880	1.1
155.10770	2.1
160.09204	0.9
163.11295	6.4
165.12880	2.8
178.09941	2.2
185.11858	13.3
191.10782	1.7
197.11832	13.3
207.10341	1.4
209.11838	100.0
210.12187	7.0
227.12881	4.1
238.12135	5.2
239.12375	0.9
256.13144	2.3
289.18134	4.2
307.19156	65.1
308.19507	6.5
325.20209	21.2
326.20755	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.6
57.03440	11.1
59.01377	3.6
63.74784	2.4
65.03957	2.7
66.18087	2.7
69.03452	5.7
70.91751	5.6
71.05011	11.0
73.13252	2.4
79.05524	5.9
80.02681	3.6
81.03470	4.5
83.05032	17.4
84.02164	6.1
85.02927	3.5
85.06583	4.7
93.03472	3.2
95.05016	12.5
95.59453	2.3
97.02930	3.9
97.06583	19.7
109.06572	6.3
111.04507	5.2
115.07647	6.9
121.06642	3.9
123.08140	6.4
125.06079	5.6
125.09757	13.2
127.07636	5.4
127.11233	2.5
135.08145	11.3
141.09174	2.7
144.70227	2.4
149.06024	2.6
151.00385	4.5
151.11362	4.0
153.09213	6.9
160.39417	2.7
163.11259	11.5
165.12827	5.6
171.08955	3.8
171.10260	41.5
177.12735	2.4
181.12375	4.1
185.11841	12.4
191.10733	3.8
191.14502	4.2
193.12357	11.4
193.46367	2.6
197.11823	7.7
201.11313	3.3
205.15959	5.8
207.10318	5.2
209.11838	82.3
210.12175	5.0
211.13405	12.8
221.11826	3.1
225.11261	5.1
227.12886	37.9
237.15047	2.9
245.19112	11.0
249.14935	20.1
267.15964	6.8
277.32837	2.7
289.18112	22.8
307.19174	58.5
308.19406	3.3
325.20184	100.0
326.20578	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
58.00590	4.2
70.66598	0.6
71.01406	1.0
71.37533	0.9
73.02951	0.7
84.02154	1.0
97.06584	2.2
109.06595	0.7
113.06089	0.9
115.07679	1.4
125.09769	0.9
127.07624	3.1
141.03023	0.6
151.11290	3.6
153.12849	4.1
155.10820	0.7
155.14436	1.8
164.07162	0.7
165.12801	2.6
169.12367	1.4
171.13895	1.5
181.12361	2.5
183.13873	1.9
191.10974	0.9
197.11826	11.1
198.12213	1.1
199.13387	29.5
200.13744	1.5
200.18991	0.6
209.11818	4.9
215.12894	4.8
227.12886	100.0
228.13222	6.5
229.14435	14.5
230.14865	0.9
231.54445	0.7
245.19080	1.9
263.20218	1.3
289.18057	2.7
297.20679	0.9
307.19113	11.4
308.19412	0.9
325.20203	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	325.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96073	0.3
58.96098	0.3
70.02558	1.0
79.95774	1.4
85.74160	0.2
119.05048	1.2
121.88051	0.3
135.57588	0.3
151.00354	0.9
162.02281	0.3
170.00430	1.3
183.01212	47.8
184.01775	3.6
197.02766	3.4
198.03493	0.5
211.04387	0.4
216.00929	1.4
225.05949	0.7
230.02649	0.6
239.07475	0.9
261.22070	0.3
309.71640	0.3
325.18423	100.0
326.18771	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	325.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77407	0.5
57.03439	0.6
59.01383	100.0
60.01713	1.0
65.00337	2.3
66.97262	0.5
69.29861	3.7
69.30264	1.0
71.01381	7.9
73.02956	1.9
75.00891	1.1
83.01394	0.9
85.02964	2.1
85.32132	0.5
87.00896	0.7
89.02430	2.7
93.03459	11.9
95.01420	0.5
96.95998	1.0
98.20607	0.9
98.95627	5.4
98.96455	1.2
99.41437	0.5
100.96072	2.8
101.02444	4.6
107.01423	3.5
113.02464	5.2
115.00408	0.6
117.03497	0.7
119.03546	1.0
119.05042	0.9
120.01259	4.5
131.03523	0.9
132.03152	0.5
133.01389	0.5
134.03757	2.9
135.04541	0.6
145.02962	7.0
149.04570	3.9
151.00383	16.0
152.00710	0.8
159.04544	4.5
161.04594	0.8
161.06137	0.7
187.07710	1.4
193.05147	2.0
197.00359	0.5
202.06380	0.6
205.05122	1.0
231.10190	0.6
235.07733	0.5
239.07126	1.2
253.08696	7.1
263.07236	0.7
263.12863	1.1
277.05310	0.7
281.08136	0.7
283.06207	1.4
297.06177	1.4
307.06320	0.5
307.11896	0.7
325.07132	3.3
325.10489	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
54.91082	0.4
56.51466	0.4
59.01384	1.9
61.46040	0.4
64.84396	0.4
70.89111	0.9
70.89445	0.5
71.01374	3.6
72.99290	0.5
73.49364	0.4
75.00901	0.5
81.21418	0.4
89.02454	0.5
93.03491	0.6
94.57529	0.4
96.96012	1.3
101.02444	0.5
105.03423	0.4
108.02161	0.4
109.02972	0.8
114.05618	0.8
115.00380	2.9
117.03466	3.9
119.05035	100.0
120.05369	4.4
121.02888	0.5
123.04533	0.7
133.01437	5.6
133.02951	3.2
135.04521	1.6
137.02475	0.4
145.02963	16.5
146.03230	1.0
147.04463	0.7
149.02399	0.4
150.03189	0.9
163.04016	79.7
164.04364	3.1
165.05559	0.6
167.51518	0.4
175.03990	0.6
176.04774	2.8
177.01958	0.5
179.03427	0.6
187.04045	1.2
187.06053	0.6
189.07404	0.4
190.05124	6.6
191.07152	3.0
195.03038	0.5
204.06712	1.0
205.05350	0.8
205.07378	6.4
206.08286	0.8
209.04547	3.4
221.09319	1.5
233.27141	0.4
235.06036	0.8
237.06549	1.9
237.08542	0.4
265.11935	15.4
266.12296	1.3
325.09940	1.4
325.14105	14.6
326.14291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53143	1.1
53.91154	1.0
59.01382	100.0
65.00317	1.4
70.45258	3.9
71.01389	19.8
73.02953	21.4
77.02354	1.2
79.95718	1.1
83.01396	5.5
85.02953	2.8
89.02436	4.7
91.19751	1.1
100.72726	1.2
101.02451	13.4
107.01423	2.1
113.02451	7.1
119.03532	1.4
131.03510	1.7
151.00391	9.2
162.02275	2.2
184.27827	0.9
190.31448	1.1
190.96352	1.1
195.04755	1.5
196.05170	2.4
325.13165	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
53.86902	0.7
55.07618	0.6
57.03472	0.7
59.01378	4.0
65.00320	3.1
69.66234	1.5
69.66646	2.9
70.26450	0.7
71.01386	6.8
71.05024	1.8
72.99313	5.6
73.02952	4.7
75.00450	1.7
75.00879	35.6
81.03452	5.4
83.01389	1.6
87.00883	3.1
87.04552	0.8
89.02450	1.3
93.03435	1.7
99.00887	3.2
99.04520	5.5
107.01392	5.1
114.00884	0.7
117.05608	0.7
119.05032	44.7
120.05376	1.5
133.01447	1.7
143.03511	9.7
144.03787	0.8
145.02959	1.7
151.00383	25.8
152.00682	0.9
161.02362	0.8
161.04590	11.2
163.04016	64.7
164.04346	2.8
165.00180	0.8
179.05623	100.0
180.05908	4.4
187.07750	0.7
222.03535	0.7
247.07393	0.7
297.06183	2.3
325.05945	1.7
325.09299	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	323.2228
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
52.01314	3.3
57.38430	2.6
57.79439	2.9
59.01387	29.2
65.41279	2.9
66.91526	2.6
71.01376	3.9
71.05036	7.8
71.51894	4.6
71.52244	3.3
79.25355	3.1
83.05013	5.0
97.06579	2.7
97.22750	2.7
99.00853	2.9
105.95879	2.7
109.06577	3.4
114.01980	10.0
119.05004	6.7
121.02985	3.1
121.10265	10.4
125.09715	10.3
137.09744	13.4
140.21719	2.8
149.09741	8.4
152.03456	3.0
158.48901	2.6
171.10300	19.9
174.04053	3.3
177.12857	4.4
185.11816	21.3
197.11862	4.5
209.11836	8.3
211.13560	3.5
217.15947	5.2
219.13847	4.2
237.14973	42.2
267.51712	3.2
273.18616	5.7
281.14063	16.8
287.16263	3.4
291.19687	100.0
291.22968	5.3
292.20038	13.8
305.17807	5.1
305.21118	34.9
306.21490	3.6
323.09094	4.4
323.15054	12.6
323.18314	3.9
323.22260	64.6
324.22583	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	323.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22364	0.4
59.01295	2.7
69.99026	0.9
69.99427	1.3
83.04954	0.5
98.19966	0.9
114.01923	0.7
123.04450	0.9
137.05991	1.1
137.09660	1.1
139.03946	0.5
156.04213	1.0
163.11273	0.6
165.09186	2.3
165.12753	1.4
167.14294	0.7
189.12773	1.1
191.14368	0.7
198.08987	0.5
225.14853	0.6
235.13321	1.1
237.15022	4.1
245.19440	0.4
261.22284	4.3
279.23425	1.2
281.13895	1.4
305.21222	100.0
306.21564	10.6
323.17191	3.9
323.22284	20.7
324.16785	0.6
324.22623	2.2
329.33871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79069	0.5
60.26914	0.5
70.03449	2.1
98.19740	0.5
111.18298	0.6
123.04559	1.0
137.06107	0.9
137.09772	0.8
139.11317	0.7
156.04306	1.0
165.09264	1.3
165.12929	2.1
167.14568	0.8
189.12914	1.1
191.14464	0.7
207.13965	0.6
217.16125	0.8
251.47586	0.6
261.22241	3.9
279.23380	1.1
287.20456	0.6
305.21225	100.0
306.21582	10.6
323.22260	19.3
324.22586	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01383	3.2
65.99870	0.5
67.16130	0.4
69.76939	1.0
69.77344	2.5
78.95932	0.7
82.12099	0.5
84.01402	0.5
85.06599	3.0
89.27129	0.5
95.72324	0.4
96.96068	0.5
114.01957	1.4
127.05710	0.4
151.11295	1.2
164.94154	0.5
171.10271	5.2
193.15950	2.2
203.34238	0.6
209.15459	0.8
219.13821	0.7
220.14670	2.1
221.15234	0.6
231.17502	0.5
237.14980	21.4
238.15263	1.4
265.14822	0.5
266.00424	0.5
281.13882	1.0
291.19754	1.2
305.21173	4.7
323.22287	100.0
324.22617	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	323.1865
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03444	17.0
58.00586	5.1
59.01388	25.0
61.41570	2.8
61.98828	9.6
69.03450	9.5
70.36956	11.3
71.01370	2.9
71.05013	20.4
75.84984	2.7
81.03452	11.0
83.01389	13.0
83.05038	21.2
84.02166	7.7
93.03460	4.4
95.01379	3.1
95.05032	40.4
97.02943	5.7
97.06595	22.3
99.04531	3.8
109.06587	17.5
111.04566	4.2
111.08146	5.2
113.06107	25.2
113.11494	2.9
114.01972	9.8
116.62704	3.2
119.05029	6.9
121.06586	7.2
123.04523	6.9
123.08139	8.8
125.06126	4.3
125.09727	22.1
135.08078	14.5
145.10234	3.1
149.09673	5.6
151.11307	6.4
153.09151	5.2
163.11302	14.9
165.12819	9.0
167.10782	5.5
171.10231	5.5
177.12775	4.4
181.12350	10.3
184.60776	2.8
185.11803	16.2
189.12842	3.7
191.10779	8.7
195.10205	12.1
197.11844	3.8
203.10796	3.5
203.14418	5.1
207.10191	6.0
209.09840	6.0
209.11824	100.0
210.12120	6.3
211.13422	4.6
221.11784	4.1
225.11334	4.8
231.13918	4.0
233.15465	4.1
235.13458	3.1
237.14940	53.2
238.15208	3.8
243.17506	9.6
247.13318	8.3
249.14873	6.7
265.14429	19.5
281.13928	5.5
287.16513	23.3
305.14227	5.2
305.17572	38.3
305.20816	4.9
323.08902	3.2
323.14984	11.0
323.18588	85.6
323.22421	7.5
324.18848	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	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67167	2.2
52.98046	2.0
57.03437	7.2
57.97557	4.5
58.00600	5.7
59.01372	11.0
69.03455	7.0
69.32446	25.9
71.01384	3.6
71.05007	9.0
75.00204	9.6
80.54901	2.1
81.03452	10.5
83.01402	13.8
83.05017	11.5
85.03004	2.6
95.05034	33.2
96.96001	4.5
97.02930	7.5
97.06579	11.4
98.20580	4.5
99.04530	4.0
107.05022	3.7
109.06571	13.8
111.08143	4.5
113.06120	11.9
114.01994	4.2
121.02975	3.0
123.04538	5.8
123.08176	8.7
125.06087	3.6
125.09728	25.4
127.07668	3.8
130.08762	6.7
131.09094	3.0
135.02742	3.6
135.08165	19.2
138.02618	3.3
145.07709	5.0
147.04495	11.2
149.09660	5.6
151.07602	3.2
162.03795	6.8
163.11276	7.5
164.07175	39.3
165.12852	4.1
171.10265	7.3
181.12325	3.3
185.11844	17.9
191.10759	5.9
195.10280	12.4
197.11864	3.4
203.14395	8.8
207.10300	3.4
209.11836	66.2
210.12070	3.8
211.13332	5.1
225.11304	4.2
233.28023	2.8
235.13419	2.8
237.14864	9.9
243.17464	5.2
247.13370	5.1
249.14925	3.8
265.14441	23.5
287.16455	10.1
288.42322	2.6
289.10104	9.4
305.17606	28.6
323.18600	100.0
324.18896	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	3.8
59.01384	91.6
60.01724	1.4
63.77316	1.0
67.10240	1.0
69.27364	9.6
71.01385	50.3
72.99303	3.8
83.01394	1.6
85.02970	8.1
86.02496	1.3
87.00823	1.3
88.61736	1.0
89.02451	48.3
95.01383	3.6
98.20792	1.7
99.00861	2.3
99.08160	1.5
101.02456	29.6
113.02448	16.9
114.01979	36.9
119.02661	1.1
119.03510	23.5
124.00380	2.7
131.03441	1.1
143.03523	2.1
148.77342	1.2
161.04584	1.8
174.04095	14.8
179.05644	2.5
263.06760	4.4
323.08887	19.1
323.13416	100.0
324.09625	1.7
324.13763	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88776	0.7
55.01873	1.4
57.03438	1.3
57.49152	0.9
57.90965	0.8
58.00591	3.1
59.01381	94.0
61.98826	3.2
68.01383	1.2
68.88757	0.8
70.76550	2.7
71.01384	48.2
72.01703	1.4
72.99313	4.1
73.02962	1.6
76.48343	0.9
78.95910	2.6
83.01381	2.2
85.02955	11.4
87.00868	2.5
89.02445	56.4
95.01385	3.4
99.00886	2.2
99.08151	0.9
101.02450	32.3
103.03337	1.1
109.85468	0.8
111.02020	1.0
113.01688	1.5
113.02457	21.2
114.01972	20.4
114.02698	1.0
117.44101	1.0
119.03506	24.2
128.35571	0.9
131.03491	2.2
131.21548	0.9
132.03009	1.0
143.03494	2.9
161.04556	2.5
174.04077	7.7
179.05612	3.4
180.06715	1.3
211.00139	1.4
211.69243	1.2
263.06693	2.6
323.08969	11.5
323.13440	100.0
324.10373	0.9
324.13913	6.7
327.01672	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76152	0.4
55.08350	0.4
57.03439	0.4
57.97557	0.5
58.00571	0.9
59.01384	30.9
61.98829	4.6
68.01080	0.4
68.01406	2.4
70.02985	2.1
71.01388	15.8
71.58954	0.6
72.00884	0.4
72.99319	2.6
73.02947	0.8
77.55780	0.4
78.95914	0.6
83.01373	1.0
84.00919	0.7
85.02972	2.7
86.02477	3.6
87.00916	1.1
89.02448	15.6
92.92804	0.8
95.01406	1.5
96.00911	0.5
99.00892	6.3
101.02451	9.2
112.00418	1.0
113.02456	6.2
114.01978	100.0
115.02338	2.1
117.01971	1.5
119.03510	8.5
122.06124	0.6
124.00398	4.8
127.05171	0.5
129.01978	0.4
130.05090	0.5
131.03526	0.7
133.01459	0.9
136.04074	0.5
142.99805	0.7
143.03528	1.2
145.06229	1.0
146.96535	0.4
147.05608	0.7
148.04158	0.7
149.04582	0.8
150.05663	0.5
159.05617	0.8
161.00815	0.5
161.04591	0.7
163.05080	0.7
164.03455	0.6
173.07211	0.4
174.04085	35.8
175.04436	1.1
179.05641	1.1
179.08261	0.6
211.00169	0.8
263.06747	11.1
264.06958	0.6
323.08911	52.8
323.13492	30.0
323.99796	0.7
324.09256	2.7
324.13821	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	322.1814
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
57.03458	0.9
57.97558	1.3
59.01376	2.4
71.01393	0.7
91.05533	3.7
92.05070	6.2
95.05022	1.3
103.05565	0.7
107.36785	0.6
109.06685	0.8
114.01952	0.8
116.05070	93.2
117.05433	4.7
118.06625	3.4
119.05045	1.5
121.06586	2.7
130.06641	1.9
132.05823	5.9
133.06604	23.8
134.06955	1.0
135.04518	1.8
141.31285	0.8
144.08228	4.1
145.02924	0.7
146.09779	1.2
147.04539	16.5
148.04887	0.7
149.55051	0.7
151.07658	1.3
156.08205	0.9
158.09761	25.2
158.11073	1.3
159.10075	1.0
160.05325	1.1
162.12859	1.1
163.99405	1.2
164.04817	4.4
164.99916	2.2
171.10300	3.1
172.11356	5.6
174.12886	100.0
175.13257	4.8
186.12810	0.8
205.05064	34.7
206.05409	2.2
223.13391	1.5
233.05931	0.6
234.09215	0.9
237.14980	1.2
243.17427	0.8
252.17566	0.9
262.08783	3.0
263.09512	3.6
278.19128	14.7
279.19461	1.7
287.16553	1.5
305.17664	2.3
307.08536	2.1
320.53586	0.7
322.05081	0.8
322.11002	12.9
322.18106	12.7
323.11298	1.6
323.14938	0.8
323.18481	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	322.2026
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
56.65903	0.2
58.02983	2.1
59.01390	0.8
61.54244	0.2
61.98840	0.5
70.08930	1.0
75.94214	0.2
81.03431	0.4
83.05017	0.2
95.05043	0.6
97.06579	0.5
105.48550	0.2
109.06603	0.6
114.02021	0.2
121.03020	0.2
128.09868	0.2
128.10834	7.2
130.08749	100.0
131.09103	2.7
145.12450	0.2
165.12811	0.6
172.09761	0.5
190.36780	0.2
192.14030	0.5
209.12029	0.2
209.72430	0.2
237.14890	0.5
278.18588	0.4
278.21136	0.3
322.20242	33.9
323.14883	0.3
323.20694	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	321.2073
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01383	100.0
60.01723	0.7
70.62815	1.3
71.01395	0.8
71.61136	0.5
75.00872	1.6
77.97762	0.4
103.04026	0.9
276.76761	0.4
303.19907	0.5
314.30664	0.5
321.20724	52.4
322.20999	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	322.0933
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
54.73315	1.1
55.01191	1.1
55.01875	1.2
57.03460	1.8
58.00620	5.3
59.01383	100.0
69.22469	1.2
70.73575	1.6
70.73910	2.2
71.01389	50.2
72.99311	2.7
83.01395	2.3
85.02963	10.1
87.00908	1.9
89.02451	52.6
95.01398	4.0
101.02451	28.6
113.02448	23.5
114.02011	1.1
115.00389	2.6
116.05072	34.5
119.03507	17.8
121.53798	1.0
131.03543	1.8
133.01413	1.7
134.03679	1.1
143.03445	2.8
146.06128	1.9
160.04054	62.1
161.04498	3.7
179.05620	5.1
202.05095	28.4
206.04605	1.5
209.57111	1.1
232.06131	4.6
262.07214	42.0
263.07578	2.8
300.15439	1.1
322.09366	57.8
323.09659	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	322.1085
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
59.01383	0.3
69.97485	0.1
70.89331	0.2
70.89648	0.1
71.01366	0.2
81.03449	0.1
93.87887	0.1
103.05539	0.5
105.07106	0.4
107.05066	0.1
116.05071	100.0
117.03452	0.2
117.05401	4.1
119.05025	0.6
121.06613	1.7
131.05119	0.6
132.05823	4.0
133.06606	18.4
134.03764	0.6
134.06935	0.9
145.02963	0.4
147.04533	4.1
148.04828	0.2
150.03252	0.3
160.05296	0.6
161.06044	0.3
164.04805	2.9
178.02797	0.1
179.07172	0.1
180.05423	0.2
191.03510	0.5
192.04198	0.3
193.05072	0.3
205.05061	33.6
206.05406	1.8
211.88930	0.1
234.09261	1.3
244.07614	0.2
245.08542	0.2
246.09325	0.4
248.07204	0.2
250.08694	0.2
257.01141	0.1
262.08731	7.6
263.09485	7.5
263.12390	0.2
264.09842	0.6
266.08224	0.2
278.11887	0.5
305.17740	0.2
306.07663	0.8
307.08514	5.1
308.08850	0.4
322.10846	26.7
323.11176	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	319.2279
Annotation	19S-HETE
Peak:m/z	Relative Intensity
54.61070	1.0
57.97552	2.7
58.00591	2.3
59.01101	1.1
59.01384	12.9
70.52311	1.9
71.01376	1.7
72.99335	1.4
73.02947	7.6
83.05016	1.2
85.02969	1.1
86.54236	0.8
91.51716	0.8
111.08208	0.9
116.58636	0.9
139.07632	0.9
140.21414	0.8
172.32933	0.8
250.15730	2.7
261.22159	1.0
273.22348	2.0
291.23273	3.5
313.05664	1.0
319.22775	100.0
320.23087	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	319.228
Annotation	19S-HETE
Peak:m/z	Relative Intensity
57.03444	1.3
58.00602	3.5
59.01383	13.7
69.86387	1.6
69.86810	1.6
71.01385	1.7
72.99305	1.8
73.02953	8.8
85.02974	0.8
86.00116	0.5
89.34718	0.5
94.73686	0.6
97.06573	1.4
100.01658	0.9
111.08157	0.6
125.06081	1.1
127.07535	0.6
139.07608	1.4
141.35109	0.5
151.61435	0.5
167.14464	0.7
171.52530	0.5
182.21478	0.5
191.32480	0.5
205.19655	0.6
224.14246	1.0
250.15782	1.5
255.21254	0.7
259.20676	0.6
261.22256	1.3
263.23792	1.0
273.22217	2.4
291.23334	4.4
319.22787	100.0
320.23120	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	321.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32526	0.2
61.42014	0.2
70.21764	0.6
79.37765	0.2
79.95746	1.2
92.82253	0.2
96.96016	100.0
137.83267	0.2
155.19028	0.2
163.03896	0.2
197.11763	0.3
315.90939	0.2
321.10138	18.0
322.10410	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	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59867	0.7
59.01384	100.0
60.01707	1.4
71.01384	4.3
71.19182	1.7
71.61810	0.6
89.02454	3.4
96.96008	8.4
96.96478	0.7
101.02479	1.1
116.05064	1.2
117.05411	1.5
119.03527	2.0
135.04613	1.0
142.18744	0.7
159.06493	1.0
189.07539	2.2
231.88264	0.8
261.05963	1.2
321.10303	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	319.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	3.4
59.01387	1.5
61.98835	0.9
69.43116	1.8
69.43528	0.6
71.01402	0.4
71.04996	0.3
74.68269	0.3
79.95737	0.6
84.04546	0.7
87.28353	0.3
89.50266	0.3
96.96002	2.6
97.06592	1.2
105.05855	0.5
106.27950	0.3
115.89243	0.3
118.06645	0.3
119.07434	0.8
132.08191	0.7
134.09770	42.4
135.06909	0.4
135.10107	1.9
148.11302	0.9
161.08455	0.8
172.11385	0.7
175.10101	1.9
176.16377	0.4
190.12383	100.0
191.12697	4.9
200.10396	0.3
202.12346	2.7
203.12785	0.3
204.10268	0.3
204.13951	5.3
216.13921	0.7
257.16522	1.1
275.17645	24.6
276.18204	1.8
298.12494	2.8
301.15536	0.6
319.12845	0.7
319.16586	11.1
320.13782	0.6
320.17191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	2beta,3alpha-Dihydroxy-ent-7,13E-labdadien-15-al
Peak:m/z	Relative Intensity
52.47979	1.0
57.03448	1.7
58.00602	4.3
59.01383	15.7
69.03442	1.4
70.28488	3.2
71.01379	3.5
72.99307	2.2
73.02954	21.0
83.01384	1.2
83.05021	1.4
84.02184	1.6
85.02961	2.1
97.06612	2.2
98.19748	0.8
100.01701	0.8
103.80635	0.8
111.08160	1.9
125.06087	3.4
127.07699	1.0
139.07671	3.4
153.12860	1.7
160.37311	0.7
167.14395	0.8
205.19676	2.1
243.57590	0.9
250.15857	1.3
254.54529	0.8
255.21190	2.5
257.22949	0.9
259.20724	2.1
261.22244	2.8
263.23785	4.1
273.22244	10.2
274.22690	0.9
289.21762	1.9
291.23328	18.0
292.23657	1.4
301.21790	2.7
319.22778	100.0
320.23032	11.4
340.82645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	7.0
59.01376	1.2
69.49392	0.6
71.59755	1.1
72.00903	5.1
75.61105	0.6
80.53576	0.6
82.06630	1.8
91.04646	0.7
91.05544	11.5
96.96024	0.9
104.69167	0.6
110.96574	0.6
112.07695	3.4
118.06637	3.4
119.05035	0.8
126.09258	1.7
129.10347	76.2
130.10707	2.5
138.20090	0.7
147.04527	27.2
147.47807	0.6
148.04877	1.7
149.81914	0.7
152.75023	0.6
153.10356	4.1
154.08745	10.4
155.09174	0.7
164.07164	68.8
165.07495	2.4
171.11395	54.7
172.11688	2.2
187.65164	0.8
189.79623	0.7
190.12439	2.0
191.27824	0.7
216.13918	1.4
233.16586	37.7
234.16885	2.8
275.17676	6.7
276.53354	0.7
277.15585	2.0
319.16626	100.0
320.17044	9.8
344.64151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02986	5.2
59.01371	2.8
59.18120	1.0
70.64306	0.8
71.01393	1.4
72.00912	5.5
72.04546	1.0
91.05544	7.9
91.49645	0.8
96.03309	0.8
96.96025	5.5
98.02562	0.9
98.20616	2.3
118.06650	3.1
126.09251	2.5
129.10349	65.8
130.10754	1.2
132.70909	1.0
135.04507	1.5
147.04529	29.0
153.10312	4.6
154.08777	10.5
155.11937	0.9
162.12996	1.1
164.07173	66.9
165.07489	3.3
171.11397	47.4
172.11667	2.0
183.11403	1.0
190.12428	4.5
199.38669	0.9
216.13895	1.3
233.16585	44.4
234.16838	3.1
275.17627	7.2
277.15454	1.6
319.08640	2.9
319.16629	100.0
320.16949	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	319.0969
Annotation	Phenolphthalin
Peak:m/z	Relative Intensity
58.02981	3.5
59.01395	18.7
61.98830	7.4
71.01360	6.2
71.11337	6.8
84.04536	20.4
87.43211	3.0
94.02914	2.7
96.95982	2.6
98.06107	5.8
99.05666	10.3
102.05618	71.7
110.02480	3.9
113.76797	2.6
118.16160	3.1
119.05038	10.2
128.03551	100.0
140.77977	3.5
141.06677	6.5
142.05112	12.3
144.45218	2.9
145.02907	7.4
146.04596	36.4
147.05992	3.7
148.04411	13.1
150.05643	3.4
172.04399	14.0
173.08258	3.8
189.07028	5.7
190.05458	73.0
191.05875	2.8
198.76173	2.8
233.09676	3.8
238.28406	2.7
241.06541	84.2
242.06746	3.3
275.10718	15.0
305.81693	2.7
319.09674	91.4
320.10101	8.3
338.88522	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	315.2541
Annotation	9,10-Dihydroxystearic acid
Peak:m/z	Relative Intensity
54.86975	0.5
58.00576	0.5
65.00314	0.7
69.34763	2.9
69.35181	0.7
72.78822	0.4
116.05032	0.7
125.09709	0.7
127.11298	2.4
136.98837	0.7
139.11261	0.4
141.12880	3.3
143.10764	1.2
150.61174	0.5
153.12825	0.5
155.10771	1.2
171.10265	3.2
171.13899	0.9
175.38292	0.4
179.07198	0.4
193.19867	0.4
201.11374	1.3
270.45023	0.4
279.23270	2.3
295.23010	1.0
297.24371	7.3
298.24670	0.7
300.02780	7.0
301.03165	0.6
313.23840	8.7
314.24112	0.6
315.05096	4.1
315.25400	100.0
316.25757	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	30.7
61.98853	26.0
67.17128	13.6
69.49643	100.0
71.01388	21.8
90.03050	13.7
94.59899	11.4
134.03688	13.9
135.04518	42.4
139.00316	15.5
151.43269	14.3
166.99860	18.6
181.01443	54.2
184.49135	12.1
201.01677	17.6
273.09131	18.4
302.04071	19.7
302.58539	13.6
317.17484	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.1
59.01381	7.4
68.19408	1.2
69.34833	11.0
71.01390	17.8
71.05016	7.3
83.05021	2.8
89.02480	1.6
91.04008	2.7
97.02942	5.8
97.06585	3.6
98.20650	2.4
99.00883	30.7
109.06605	2.0
110.03770	2.0
115.00377	4.4
117.07265	1.2
123.08177	3.1
125.09727	13.8
127.11407	1.4
133.01437	4.4
135.04550	6.8
135.08127	1.4
142.02756	2.0
145.10146	1.1
146.93597	1.2
150.03203	1.1
153.12863	1.8
155.10788	13.5
163.11281	16.4
179.03453	6.2
179.10777	2.3
181.12355	52.0
182.12709	2.3
187.89311	1.2
197.11897	2.8
199.09760	6.6
199.13397	39.0
200.13722	2.0
207.08307	2.3
207.10269	46.2
208.10571	2.5
209.11887	1.2
225.11314	92.9
226.11690	3.8
227.12921	1.3
243.12369	100.0
244.12682	6.8
317.16089	82.4
317.19424	3.7
318.16364	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01376	2.0
65.00323	0.5
66.71447	0.5
66.92180	0.4
67.83212	0.4
69.03451	3.6
69.48558	0.9
69.48967	2.1
71.01377	1.8
71.05016	2.7
71.27675	0.4
71.30844	0.5
83.29274	0.5
89.02427	0.9
91.04014	1.7
97.06541	0.5
97.13211	0.5
103.00375	2.1
108.02145	0.6
115.00327	0.4
123.08147	1.2
125.09724	1.8
136.98851	0.6
151.00420	0.8
151.11246	1.9
153.12831	1.6
155.10814	0.7
161.09743	3.0
179.10777	12.7
180.11101	0.5
185.06218	0.6
197.11832	100.0
198.12187	5.6
199.09709	0.5
213.05585	0.7
223.09743	2.2
240.04141	0.5
241.05138	1.7
241.10797	15.8
242.11137	0.9
256.07455	0.7
300.02737	4.2
300.06381	1.5
301.03024	0.6
315.05057	2.7
315.08621	2.5
315.14487	41.6
315.17789	1.7
316.14941	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	315.1813
Annotation	CHEBI:67324
Peak:m/z	Relative Intensity
50.43668	0.5
50.52547	0.5
51.71019	0.6
57.03438	3.1
59.01388	4.3
67.01897	0.8
69.03462	1.4
69.77184	2.5
71.01380	2.5
71.05016	2.0
72.87349	0.5
73.02930	0.9
74.74071	0.5
75.03966	0.5
76.88125	0.5
81.03469	0.8
83.05044	3.7
84.02184	4.7
85.02943	3.4
85.06593	2.5
87.04515	2.5
93.03460	0.9
95.05035	9.9
96.07853	0.6
97.02970	0.6
97.06592	10.5
99.08153	4.2
109.02935	0.6
109.06587	2.1
111.04517	0.7
111.08163	1.3
113.06094	2.1
115.00375	1.1
123.08178	1.4
127.11266	1.8
130.08728	0.7
135.04491	0.9
135.08136	2.8
137.09711	1.6
139.07669	0.6
139.11293	4.1
143.07133	9.6
149.09723	1.9
153.09210	1.0
155.10815	4.1
163.11401	0.9
165.09161	1.0
165.12868	0.6
169.01457	1.2
169.08707	0.7
170.06497	1.1
177.12814	1.6
181.08673	2.7
183.10275	16.0
184.10590	0.9
191.10786	0.9
193.08675	1.4
199.09714	3.3
201.11319	23.3
202.11646	1.5
209.11841	6.3
210.12134	0.9
211.09778	1.3
215.70848	0.7
217.15887	1.1
221.11809	1.9
239.12996	1.3
241.14333	0.7
261.14951	1.2
279.15961	1.9
297.17072	7.2
300.02652	3.6
315.18121	100.0
316.18552	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
69.20161	0.6
70.92609	1.5
70.92960	0.7
71.01389	2.3
73.02924	1.2
78.11445	0.7
81.03445	1.3
85.02958	2.5
93.03448	0.9
95.01418	1.2
98.76852	0.7
100.05015	0.6
101.02478	0.9
104.71822	0.7
108.02184	100.0
109.02983	30.9
110.03274	0.8
113.02456	0.8
121.02967	1.2
123.00844	1.3
123.04539	1.2
135.04575	0.7
151.04089	1.9
152.01161	62.1
153.01949	29.0
154.02336	0.8
163.03999	1.9
165.01891	1.5
168.37949	0.8
170.60413	0.6
195.02982	0.8
315.07227	76.7
316.07605	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	315.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42105	0.5
56.01793	0.5
70.02529	1.8
71.01384	2.6
73.02944	0.8
79.01938	0.6
81.03463	1.5
85.02950	2.6
95.00784	0.5
95.01386	1.4
98.20000	0.8
100.92208	0.6
101.02461	1.6
108.02178	100.0
109.02971	46.6
110.03344	1.7
111.00912	0.6
113.02435	1.1
118.95718	0.5
121.02927	1.0
123.00895	1.3
123.04539	1.5
126.03889	0.5
133.02940	1.0
135.04526	1.0
151.04008	1.9
152.01158	69.8
153.01949	40.0
153.02916	0.5
153.03247	0.5
153.05534	0.7
154.02310	1.0
158.89294	3.0
159.89366	2.7
163.04041	1.3
165.01944	1.8
200.36905	0.5
254.43378	0.6
307.76779	0.6
315.07220	92.7
316.07532	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.75210	0.5
56.28402	0.5
59.01367	1.6
61.98833	12.7
63.60583	0.6
70.09827	2.1
71.01389	2.5
72.23347	0.5
72.99309	1.8
73.02948	0.9
81.03481	0.8
83.01374	0.7
83.30437	0.6
85.02966	2.4
87.00882	1.4
92.92828	1.2
95.01389	1.4
99.00848	0.6
101.02479	1.2
105.79313	0.5
107.01342	0.7
108.02184	96.5
109.02970	56.6
110.03263	1.9
113.02474	1.4
117.01984	0.6
119.94681	1.4
121.02966	0.6
121.94397	1.3
123.00898	1.9
123.04524	2.3
123.05873	0.6
125.02455	1.1
127.98884	0.7
133.02972	1.0
135.04533	1.6
135.95636	0.7
139.00131	1.8
151.00424	2.8
151.04082	1.5
152.01164	64.4
153.01953	52.1
153.05557	1.7
154.02260	1.9
163.03999	1.2
165.01950	1.8
169.01413	2.0
172.99394	0.8
176.06181	0.6
183.98309	0.7
191.94589	1.1
214.95244	0.8
233.57683	0.6
233.95685	1.0
237.28987	0.6
300.02722	2.4
315.07242	100.0
316.07581	5.6
327.48792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2702
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.96328	0.7
58.84220	0.7
59.01374	2.5
61.98824	1.0
62.12053	0.6
63.05684	0.6
65.00320	2.6
70.02957	1.2
71.60036	0.7
100.92597	0.6
104.12923	0.7
117.03493	0.9
118.05110	1.1
121.02977	0.8
136.98799	3.0
145.02928	3.8
201.01973	0.7
216.04242	0.8
228.04286	0.9
268.26511	2.4
270.24359	1.6
296.26010	1.2
300.02765	23.2
314.27023	100.0
315.05093	14.8
315.15964	5.1
315.19693	4.1
315.27655	7.9
330.19815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.8653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10467	0.4
56.38168	0.4
59.01390	2.7
69.91550	2.1
78.95932	0.4
79.95758	0.8
81.28744	0.4
84.91424	0.5
96.96011	2.9
98.19938	0.5
110.03072	0.4
132.93442	0.4
134.96100	3.9
136.94016	20.4
137.94101	1.2
138.93666	0.6
141.76047	0.4
151.92705	1.9
152.91759	0.6
178.95070	10.6
179.95163	1.2
180.94809	0.7
194.92802	0.6
216.89650	2.9
234.90726	0.9
243.85826	0.8
254.85588	0.9
263.84814	1.2
270.87537	2.5
272.85452	96.4
273.85577	6.9
287.84174	19.7
287.87476	0.7
288.84198	1.1
288.88583	7.1
289.88870	0.6
290.86526	38.6
291.86603	2.8
305.85162	2.9
314.86511	100.0
315.36542	0.4
315.86588	7.8
316.84332	2.7
332.87570	16.1
332.91620	0.8
333.87607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.4
65.00324	3.0
66.01454	1.6
78.54897	1.9
98.20717	3.2
109.02947	2.0
109.06540	2.1
116.05041	3.5
125.06087	4.8
129.05951	1.8
134.03705	2.2
136.98729	2.1
154.06628	3.9
155.07405	2.7
155.62584	1.6
158.73485	1.6
170.09772	19.4
179.07390	3.3
194.08226	2.5
194.09776	28.2
195.09978	2.0
206.09798	3.5
208.11276	5.9
209.08429	5.9
210.12886	100.0
211.13217	6.6
220.11313	8.2
238.12383	55.7
239.12630	5.1
242.15518	8.3
282.11349	16.4
300.02756	19.9
314.14163	12.3
315.04968	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	313.2387
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
58.00584	2.4
59.85109	0.4
64.16602	0.5
69.35699	2.5
69.36114	1.4
76.17781	0.5
94.79952	0.5
97.06601	0.9
98.19912	0.9
99.08160	19.0
100.08504	0.7
121.02964	0.7
127.07676	4.2
127.32601	0.5
129.09224	21.9
145.03014	0.5
154.97493	0.5
161.02460	0.7
183.13898	38.2
184.14297	1.6
195.13876	3.4
213.14949	0.7
277.21753	2.6
283.02374	0.7
295.22772	9.4
296.23444	0.5
311.22299	0.6
313.23853	100.0
314.24203	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	314.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95178	2.1
59.01369	3.7
65.00307	4.1
65.51763	2.3
71.01384	2.5
102.03489	3.2
107.05100	2.3
111.07571	2.0
116.05041	7.0
125.06062	5.0
136.98795	4.0
151.00395	2.3
153.05585	3.0
154.06595	4.5
160.12096	2.1
161.04890	2.6
165.12198	2.2
170.09767	27.7
179.07507	3.6
185.08308	3.1
194.06059	3.1
194.09764	45.0
195.10083	3.8
199.53970	2.9
206.09761	3.7
208.11351	6.5
209.08424	9.5
210.12892	100.0
211.13232	6.9
220.11220	9.7
221.20598	2.3
238.12383	73.7
239.12602	3.5
242.15483	8.7
254.11761	3.9
282.11386	12.9
300.02786	25.4
314.07455	2.8
314.13980	23.5
315.04910	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	313.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97549	0.8
59.01390	3.3
61.18997	0.6
67.01899	0.7
69.03463	3.3
71.01379	2.8
71.60390	0.9
74.02444	0.7
83.05029	0.9
84.02154	3.0
93.07090	0.6
95.05029	3.5
96.95997	1.0
97.02926	0.9
97.06590	14.9
99.04464	1.0
99.08149	1.3
109.06577	1.9
116.05048	1.0
119.08704	0.9
121.02965	34.4
121.10247	1.5
123.08186	0.9
125.06078	1.5
133.03027	0.8
137.09723	1.9
139.11311	1.2
143.07132	15.6
147.08125	1.4
149.09720	2.1
157.08734	1.1
161.02448	2.6
165.09219	9.8
166.09537	0.7
173.71532	0.7
181.06567	0.8
183.10269	5.6
193.08626	0.8
197.11838	29.3
198.12215	1.6
210.08960	0.7
215.12877	12.4
225.05585	2.0
225.11293	1.9
227.06366	1.0
240.86940	0.8
263.16608	4.3
269.09167	0.8
269.12735	0.8
270.61041	0.8
277.18134	1.2
298.04608	0.7
313.07190	5.2
313.20215	100.0
314.07501	0.8
314.20599	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	313.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41349	0.6
59.01376	2.7
67.01888	0.9
69.03477	2.8
69.80647	3.3
71.01385	2.2
84.02165	5.7
85.02963	0.8
89.81776	0.7
95.05025	4.4
97.02962	1.5
97.06592	14.0
99.04533	1.5
99.08144	1.4
106.31091	0.6
109.06595	2.1
119.08623	0.9
121.10220	2.2
125.06081	3.1
135.08174	1.1
137.09721	2.2
140.76813	0.6
140.81921	0.6
143.07143	25.3
144.07448	1.0
147.08076	0.9
149.09688	1.5
157.08723	1.1
165.09206	8.3
172.87511	0.6
183.10236	5.6
195.13771	0.7
197.11842	25.2
198.12187	1.3
200.99992	0.6
215.12878	8.7
225.11304	2.1
263.16516	3.9
269.17581	5.1
270.60922	0.9
277.18201	0.9
295.19116	0.7
313.12875	3.3
313.20212	100.0
314.20544	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	313.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69064	0.7
53.30469	0.9
57.03441	1.5
59.01374	3.1
63.51359	0.7
69.03437	1.0
71.01380	3.7
71.05005	1.3
73.02957	3.1
74.02462	2.4
75.00845	1.1
79.95702	1.3
83.01350	1.1
84.02157	3.2
85.02954	2.4
86.03738	1.1
89.02464	0.9
95.05037	2.0
96.96021	1.6
97.06597	5.9
109.06598	1.8
112.01678	1.1
112.79934	0.8
116.05064	6.5
118.02740	1.0
121.02953	1.9
122.06144	2.1
129.01935	1.8
130.02724	11.8
130.08704	1.0
132.04565	7.0
134.06125	2.9
135.78043	1.0
136.07639	2.3
143.07130	8.9
149.02470	1.0
161.02444	1.1
164.07181	2.2
165.09151	2.4
167.14430	4.4
171.31635	1.0
183.10182	3.0
183.13817	3.1
195.13907	12.2
196.14296	1.4
197.11826	10.2
207.17633	1.7
213.10251	2.1
213.14812	1.0
215.12863	3.4
221.23747	1.0
223.17079	1.3
225.18579	1.1
232.32896	0.8
233.15417	1.1
241.13751	1.3
251.11916	1.6
251.16544	13.9
263.16425	1.6
267.11475	1.0
269.17575	100.0
270.17996	8.2
270.61081	0.9
277.14297	1.8
278.50662	1.2
285.12399	2.6
295.15387	2.6
298.04776	1.2
300.02765	1.1
313.11847	11.7
313.16522	32.6
313.20181	40.7
313.23953	2.1
314.12378	1.3
314.16794	3.6
314.20529	3.8
315.04886	1.4
321.07684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11825	0.6
56.82357	0.7
57.03424	0.8
59.01382	6.3
61.98817	3.1
68.12257	0.8
69.96439	1.7
69.96856	2.4
71.01382	1.3
83.05003	1.3
91.04011	2.0
95.05073	0.7
97.06591	1.2
98.20634	0.7
100.46794	0.7
121.02953	28.2
122.03302	1.4
134.06093	0.7
148.07620	0.8
159.11815	1.6
161.02409	1.1
161.80185	0.6
171.10243	0.7
177.12854	24.4
178.13161	1.7
181.06560	1.0
185.24290	0.7
191.45024	0.7
195.13902	100.0
196.14236	6.9
197.06197	0.9
203.10782	2.5
209.54799	0.7
221.11829	11.5
225.05606	2.3
232.69318	0.7
239.12898	30.1
240.13206	1.5
242.11858	1.1
250.11398	1.0
253.09663	1.2
269.12952	6.9
283.02530	1.1
299.02576	0.8
313.07056	3.9
313.12207	1.9
313.16580	40.0
314.16962	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	313.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11825	0.6
56.82357	0.7
57.03424	0.8
59.01382	6.3
61.98817	3.1
68.12257	0.8
69.96439	1.7
69.96856	2.4
71.01382	1.3
83.05003	1.3
91.04011	2.0
95.05073	0.7
97.06591	1.2
98.20634	0.7
100.46794	0.7
121.02953	28.2
122.03302	1.4
134.06093	0.7
148.07620	0.8
159.11815	1.6
161.02409	1.1
161.80185	0.6
171.10243	0.7
177.12854	24.4
178.13161	1.7
181.06560	1.0
185.24290	0.7
191.45024	0.7
195.13902	100.0
196.14236	6.9
197.06197	0.9
203.10782	2.5
209.54799	0.7
221.11829	11.5
225.05606	2.3
232.69318	0.7
239.12898	30.1
240.13206	1.5
242.11858	1.1
250.11398	1.0
253.09663	1.2
269.12952	6.9
283.02530	1.1
299.02576	0.8
313.07056	3.9
313.12207	1.9
313.16580	40.0
314.16962	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	311.2229
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03452	6.2
57.50947	1.2
57.64744	1.1
59.01376	7.0
61.98816	2.1
70.30230	3.6
83.05040	1.1
83.37617	1.3
95.75412	0.9
96.70986	1.2
97.06592	3.7
98.56976	1.1
99.08167	5.8
109.19574	0.9
113.09724	10.2
120.68250	1.1
129.09247	8.5
153.12839	3.3
163.87152	1.1
169.12334	3.6
169.15842	1.5
171.10255	1.5
181.12352	5.6
183.01198	3.3
183.13866	3.7
193.12326	2.0
197.11833	21.0
198.12032	1.3
199.13391	4.4
200.53583	1.0
205.16089	1.1
211.13400	21.7
212.13744	2.1
213.14966	67.5
214.15308	2.7
275.20016	2.2
293.21234	100.0
294.21558	7.9
311.17151	6.9
311.22299	79.5
311.25070	1.7
311.29388	4.9
312.22604	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	313.0721
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.72344	0.2
61.98837	0.2
68.32013	0.2
70.51984	0.4
77.03968	0.3
83.41528	0.2
116.05068	1.4
121.02963	100.0
122.03296	3.3
141.96097	0.2
141.97382	0.2
161.02408	0.3
162.20076	0.2
180.05792	0.8
181.06589	4.5
183.10321	0.2
215.32004	0.2
220.84175	0.2
225.05589	7.1
225.07788	0.4
226.05984	0.6
269.08160	0.3
270.01746	0.2
283.02618	0.3
313.07187	15.6
314.07214	0.9
331.58426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95486	1.0
59.01378	3.2
64.07396	0.8
64.08395	0.9
70.63650	1.5
70.63982	1.5
71.01389	56.2
71.05026	48.6
71.65160	1.0
72.01716	1.0
72.57174	0.8
79.34895	1.1
83.05030	1.7
85.02930	0.9
91.71170	0.9
96.95970	0.9
114.99557	1.2
115.00376	21.7
122.06123	3.2
125.09736	2.5
126.80739	0.9
134.06134	3.5
143.07153	1.0
153.11623	1.7
153.12866	29.6
154.13234	1.1
161.02374	1.1
168.75662	1.1
197.11844	100.0
198.12206	5.5
205.92064	0.9
208.45409	0.9
213.18129	1.0
227.86993	0.9
231.10262	2.3
244.12479	1.0
269.13135	1.2
270.71335	0.9
275.16586	1.1
298.04831	1.1
313.07272	1.5
313.11145	0.9
313.16653	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
56.89799	0.3
57.03448	0.5
59.01371	1.3
70.62659	1.0
72.50098	0.3
97.06612	0.6
99.08137	0.6
109.42744	0.3
113.09732	1.1
115.07666	1.2
127.07680	0.6
128.08423	0.9
129.09291	0.3
165.12804	0.5
167.14423	3.7
183.01231	0.9
183.13907	2.6
189.42123	0.3
195.13908	10.1
196.14250	0.8
211.13338	1.4
213.14996	1.7
241.14496	0.5
242.15199	0.8
249.22162	0.5
250.06464	0.3
252.71503	0.3
261.97458	0.3
265.21671	0.6
267.23145	0.4
275.20233	0.7
283.22818	0.7
291.65881	0.3
293.21259	7.7
294.21729	0.5
311.22296	100.0
312.22650	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03454	2.0
59.01384	4.5
63.97843	0.8
69.86330	0.9
70.26649	2.8
71.67670	0.8
82.10338	0.8
90.77190	0.8
98.20602	1.0
104.21181	0.9
112.22320	0.9
118.45262	0.9
141.06586	1.0
183.01213	9.8
197.02747	8.4
249.22243	44.9
250.22615	3.9
265.32388	0.9
267.23196	1.5
293.21259	23.1
294.21463	1.9
311.16821	34.9
311.22260	100.0
311.29443	5.3
312.17194	2.6
312.22540	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.2
57.75082	1.1
59.01377	8.7
64.10896	1.2
67.65622	1.2
71.01385	2.1
71.55993	2.1
83.05029	2.0
97.06602	2.8
99.08155	4.0
107.05057	1.3
113.09754	12.4
129.09213	8.9
130.76636	1.2
139.11319	2.5
153.09213	1.5
153.12857	3.7
169.12369	4.7
171.10268	2.8
172.63812	1.2
179.14334	1.4
181.12376	6.4
183.01250	4.1
183.13841	3.0
193.12350	2.4
195.13788	1.4
197.11810	21.0
199.13335	2.0
211.13390	22.8
213.14972	78.8
214.15297	4.7
248.94734	1.2
249.22232	2.2
275.20181	1.5
279.15991	2.1
281.14209	1.4
293.21249	100.0
294.21530	9.3
311.17239	6.6
311.22290	68.9
311.29596	4.3
312.22586	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
52.23399	0.6
53.65442	0.6
57.03449	2.0
59.01380	1.5
69.03461	0.8
71.59164	0.6
86.51689	0.5
97.06561	0.7
99.08175	3.0
111.08181	1.4
112.71106	0.8
113.09720	3.1
121.10233	0.8
123.08125	1.0
127.11268	0.7
129.09218	7.4
139.11223	2.8
141.09212	0.7
151.11253	1.8
153.12833	0.8
159.49692	0.6
163.11235	1.1
165.12813	0.8
167.10803	1.3
169.12369	3.7
171.10316	6.9
181.12347	5.4
183.13954	2.1
185.11731	1.2
193.12286	3.8
197.11855	12.6
199.13409	6.8
211.13400	22.7
212.13795	0.6
216.02914	0.6
227.12907	0.6
249.22253	1.5
265.21594	1.2
275.20154	1.8
293.21240	23.5
294.21478	1.7
311.22293	100.0
312.22653	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	CHEBI:132678
Peak:m/z	Relative Intensity
50.91593	0.9
57.03439	2.5
58.00589	0.8
59.01370	2.2
60.20414	0.9
63.29291	0.8
77.96981	0.7
81.77140	0.7
89.29984	0.7
99.08145	4.3
99.25317	0.7
102.04777	0.7
106.63794	0.9
111.08205	1.1
113.09724	4.4
121.10332	0.9
122.73477	0.8
127.07649	1.1
127.11240	1.4
129.09232	8.8
139.11293	2.0
141.09195	0.8
151.11299	1.7
155.10780	2.2
167.14424	1.0
169.12361	3.4
171.10295	6.1
177.12935	0.7
181.12369	6.9
183.13887	2.4
185.11913	1.2
193.12325	2.2
197.11844	12.7
197.13519	1.2
199.13412	5.5
201.11285	1.3
211.13405	24.9
212.13638	1.7
275.20117	2.3
293.21240	19.0
311.22293	100.0
312.22595	8.8
326.86069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2018
Annotation	Longithorone K
Peak:m/z	Relative Intensity
51.01052	0.2
59.01369	0.4
70.17101	0.3
70.17498	0.5
71.30737	0.2
79.95734	0.3
86.59480	0.2
98.95625	0.2
99.75190	0.2
111.10757	0.2
119.05040	0.3
120.28852	0.2
133.06589	2.2
149.09721	100.0
150.08946	0.4
150.10065	4.8
183.01204	11.7
184.01958	1.7
197.02760	0.5
216.01022	0.8
246.23439	0.2
249.22290	0.4
282.35880	0.3
287.09381	0.2
311.16846	23.8
311.20215	56.9
312.17151	2.0
312.20557	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68788	0.6
53.02898	0.7
55.35742	0.5
57.03452	0.8
58.00347	1.0
58.00599	11.1
59.01394	0.9
61.92569	0.6
66.46822	0.6
71.31530	0.8
71.31863	0.9
73.02937	1.4
86.06020	0.7
101.55297	0.7
109.06590	1.9
124.55477	0.6
125.09731	1.8
127.07665	6.6
127.11294	2.4
131.67567	0.6
155.10818	1.5
165.09175	1.4
171.10228	4.2
183.13916	25.4
184.14325	0.8
195.13895	2.8
199.09785	1.0
201.11345	24.6
201.13216	1.4
202.11691	0.9
211.13376	1.4
213.14983	7.7
223.13405	2.3
241.14427	6.9
275.20303	3.7
293.21231	8.6
311.22293	100.0
312.22610	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11115	1.0
75.11610	0.3
79.95708	1.5
82.97655	0.2
87.92154	0.3
96.96018	0.6
98.18542	0.3
98.95617	1.0
98.96479	0.4
113.84125	0.3
119.05034	1.4
122.86091	0.3
133.51027	0.3
134.73470	0.3
170.00439	1.4
183.01212	52.6
184.01941	4.8
194.67340	0.3
197.02829	2.6
198.03427	0.6
216.00996	2.5
220.13806	0.4
225.05934	0.6
239.07391	0.5
247.20627	0.4
283.91522	0.3
311.16870	100.0
312.17197	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0562
Annotation	Scillascillin
Peak:m/z	Relative Intensity
50.86050	0.4
54.18099	0.4
59.01388	2.6
64.40913	0.4
65.00326	5.2
66.77322	0.4
71.01384	1.3
71.14930	0.6
71.15246	0.5
72.99303	1.2
76.69823	0.4
104.03545	0.8
123.04565	0.5
134.03748	0.9
139.05565	3.3
143.05006	0.8
145.06679	0.5
149.06071	0.6
151.04019	1.6
154.04285	1.2
158.03716	0.4
165.07150	0.6
167.05035	6.8
168.05725	0.9
171.04530	0.8
178.02640	0.6
179.05000	0.9
180.05791	3.7
180.72452	0.4
181.06488	0.8
182.03726	1.7
183.04498	3.0
184.05287	3.9
185.02539	0.5
187.04047	0.9
193.06610	0.8
194.11987	0.6
195.02994	0.6
195.04382	2.5
195.10266	0.6
196.05310	8.6
197.05858	0.5
199.07578	1.1
200.04788	0.6
207.04543	3.9
208.05301	25.0
209.05791	2.2
211.04073	2.2
213.05614	0.7
217.05161	0.8
222.03247	0.5
223.03998	5.2
224.04787	17.4
225.05150	1.2
226.02689	0.6
227.03450	1.6
228.04352	3.7
237.05624	1.4
239.07336	0.6
240.04292	3.4
241.04990	4.5
243.06621	4.0
249.05440	0.5
251.03543	4.7
252.04279	46.5
253.04654	4.2
253.07071	0.6
253.08118	0.5
255.02910	1.0
256.03677	1.5
257.04526	0.5
267.06638	5.2
268.03806	9.5
268.06696	0.6
269.04242	0.8
283.06137	6.4
296.03250	12.8
297.03592	1.1
300.02814	2.4
311.05627	100.0
311.29648	0.8
312.05948	9.1
312.09256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.2
57.03430	3.4
59.01377	5.8
61.98816	1.3
63.50026	0.9
69.03468	1.4
71.01381	3.8
71.05024	20.5
71.08678	1.6
83.05014	2.1
95.05030	1.4
96.95992	1.3
97.06597	5.0
107.05048	1.6
109.06583	1.3
111.08164	15.0
115.00356	2.6
119.08697	1.8
121.10236	4.2
123.08134	1.0
125.09700	4.4
127.07648	1.4
127.11340	1.7
133.01424	2.8
134.03746	9.7
135.08122	1.6
137.09729	20.5
138.10056	1.3
141.12906	1.1
149.06068	1.0
151.11246	1.5
152.08257	1.0
154.05080	0.8
154.43073	0.9
155.10780	1.3
163.11421	1.0
169.12318	3.3
171.10274	52.2
172.10608	1.8
181.12318	1.7
183.10292	3.6
185.11824	9.5
193.05013	7.6
195.13934	1.6
197.11839	43.7
198.12155	1.9
203.00038	1.0
207.13870	2.2
209.11813	1.6
211.13374	7.0
219.13879	1.9
221.15613	1.3
227.12852	1.4
233.15446	1.3
235.17033	3.8
237.14893	3.1
239.16537	4.2
247.20667	3.0
251.16554	17.4
252.16846	1.3
263.20227	2.3
264.07977	1.0
265.18173	2.6
273.18533	2.9
288.11322	1.5
291.19662	70.9
292.19992	6.8
309.20706	100.0
310.21164	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.0
58.00583	2.4
59.01374	4.8
60.66455	1.5
69.03454	3.5
71.05009	2.7
71.59834	3.1
72.44765	1.6
73.02972	2.2
83.05050	2.7
85.06596	1.6
97.02952	9.0
97.06602	4.3
105.35823	1.7
109.06636	4.5
111.08173	32.5
119.08664	3.1
125.09739	2.8
127.07674	2.2
136.69833	2.0
137.09721	8.1
163.11292	2.4
168.27864	2.0
169.12383	7.1
171.10251	15.3
179.10762	2.4
179.14436	3.0
181.12375	5.1
183.13878	4.9
193.12352	3.1
195.13892	7.0
197.11836	96.8
198.12183	6.1
199.13387	3.5
209.11874	1.9
209.15471	4.5
211.13405	20.0
221.15410	8.6
223.13339	4.1
223.16660	2.1
227.12862	4.4
229.19899	1.9
233.15480	3.3
239.16545	2.3
247.20613	4.3
251.16534	5.2
263.20111	7.5
273.18555	5.7
291.19669	67.4
292.19958	7.1
309.20715	100.0
310.21008	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	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03429	1.7
59.01353	4.4
66.86634	1.2
69.03410	1.2
71.01372	2.9
71.04996	1.5
71.08013	1.9
73.46114	1.1
76.90392	1.1
77.05296	1.0
80.02656	5.0
80.96502	1.5
81.03433	3.2
83.05035	16.4
84.02177	7.8
95.01390	1.3
96.95988	2.4
97.06543	2.3
98.03700	1.0
99.00863	1.8
99.08181	6.0
109.06547	2.5
111.08141	2.3
115.00330	1.6
115.07625	3.1
119.08586	1.2
123.08028	1.4
124.67339	1.1
125.09726	3.2
127.11248	2.3
133.01428	1.9
134.03752	7.0
135.08075	1.8
137.08751	1.7
137.09737	28.7
138.10052	1.4
139.11366	5.6
151.03998	5.6
151.07651	14.4
151.11223	3.4
152.08513	7.7
153.09206	5.8
154.09972	1.2
155.09607	1.6
155.10793	30.6
162.71820	1.2
165.12796	3.4
167.10707	2.9
171.08798	1.5
171.10275	30.3
172.82315	1.2
181.12350	1.4
184.07430	1.8
193.05115	6.9
193.08667	1.7
193.10971	1.2
193.12341	14.9
195.13676	1.3
197.11763	4.3
209.11864	15.0
209.15443	15.3
211.13344	3.5
223.17026	2.6
247.20601	5.4
252.09959	3.1
263.20010	4.8
265.17984	3.2
265.21744	5.7
273.18604	1.8
291.19672	60.6
291.22986	3.0
292.19904	4.1
309.16953	23.5
309.20590	100.0
310.17706	2.1
310.20999	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89441	1.0
58.00584	2.1
59.01383	1.3
60.06018	1.0
69.03455	1.3
70.14290	0.9
70.40914	3.1
71.01360	1.2
78.70963	1.0
81.83885	1.0
98.19918	1.0
111.08163	30.7
127.07636	2.5
130.59346	1.1
148.00433	1.2
151.11279	1.4
153.12923	1.4
169.12366	6.1
179.79956	1.3
179.81516	1.0
181.12283	2.6
183.14005	1.4
197.11838	100.0
198.12170	3.2
199.13387	5.5
211.13390	11.8
227.12842	3.1
263.20251	6.6
265.18042	2.1
273.18503	2.0
285.68475	1.0
291.16522	1.7
291.19675	17.1
309.20709	33.2
310.21112	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28918	0.6
57.03435	1.3
59.01383	1.4
59.46110	0.7
62.90261	0.6
70.08692	2.7
71.01398	0.7
82.87633	0.5
83.53959	0.7
86.10192	0.5
97.06584	1.9
113.09736	3.5
115.07654	1.3
125.06056	1.0
126.06734	0.6
128.24251	0.7
132.31763	0.5
134.03761	0.7
136.63467	0.5
139.11342	0.9
141.09235	1.6
148.07655	0.6
165.12831	4.4
167.14424	2.0
181.12401	2.9
183.13876	1.2
193.05019	0.7
193.12329	2.7
195.13928	2.7
197.11830	0.8
209.11754	0.8
209.15353	0.7
211.13370	4.4
221.15460	1.1
239.12579	0.7
240.13602	2.0
245.19133	0.6
247.20709	5.0
263.20050	1.2
264.55997	0.6
273.18741	3.3
281.21252	1.7
291.19675	49.4
292.20026	5.0
309.20712	100.0
310.21063	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85815	1.1
53.78262	1.1
57.03437	3.6
59.01366	4.6
61.98829	2.7
67.43089	1.1
70.04643	1.2
70.35291	4.4
71.01369	3.7
71.05026	18.5
81.03467	1.4
83.05027	2.2
95.05023	1.5
97.06595	7.9
107.05028	2.3
111.08174	2.4
115.00368	2.4
119.08634	1.8
121.10234	11.0
123.08141	3.0
125.09700	8.9
133.01440	3.0
134.03775	9.4
135.08171	2.1
137.09735	21.7
141.12831	1.4
171.10280	46.2
181.12344	1.6
183.10286	2.5
185.11836	15.1
193.05075	8.5
193.06534	1.5
197.11815	6.2
207.13884	1.6
207.17439	1.6
209.11903	1.9
211.13445	1.5
213.70750	1.5
219.13962	1.4
235.17111	2.2
237.14854	4.1
239.16556	1.3
247.20694	2.1
251.16536	43.6
252.16801	3.0
273.18637	2.6
279.16599	1.3
291.19669	100.0
292.19916	8.0
309.20712	92.4
310.21078	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82674	1.0
57.03445	2.0
59.01379	1.7
63.33390	1.1
67.01865	1.0
69.03480	1.8
71.37601	1.7
97.06592	2.5
107.08649	1.2
111.08183	5.2
115.00365	1.1
115.41606	1.0
118.78223	1.1
121.02953	1.3
121.10257	10.2
121.70049	0.9
125.09701	6.5
133.01439	1.7
134.03729	4.3
137.09732	5.5
147.08218	1.5
171.10280	13.3
181.12407	1.5
183.13765	1.3
185.11830	8.8
193.05084	2.0
195.13844	1.9
197.11859	10.7
201.11241	1.9
209.15332	1.2
211.13402	64.1
212.13713	4.3
247.20657	1.5
251.16640	1.6
254.00372	1.1
273.18524	3.5
278.47397	1.0
291.19672	100.0
292.20004	8.6
309.20728	25.0
310.21136	2.5
318.66318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.5
57.39279	1.2
59.01368	2.7
64.26183	1.1
70.66562	2.3
71.01401	1.6
71.05025	16.3
72.70039	1.0
88.99347	1.0
95.05018	2.1
97.06589	6.7
98.89452	1.2
107.05038	2.3
121.10258	10.2
123.08144	1.7
125.09726	10.1
133.01411	2.0
134.03728	5.2
137.09726	20.7
141.12860	2.0
141.38283	1.1
147.08339	1.0
171.10281	41.5
172.10660	2.2
178.00175	1.1
180.84608	1.0
185.11830	17.6
193.05101	5.7
197.11819	3.1
202.63145	1.0
207.13959	1.7
207.17439	1.5
219.13930	2.8
233.15424	1.3
235.17004	1.6
237.14937	1.4
247.20622	1.6
251.16531	46.2
252.16866	3.3
291.19662	100.0
292.20050	9.3
294.24103	1.2
309.20721	76.2
310.21030	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68453	1.2
61.38651	1.1
71.25571	2.5
82.47659	1.3
86.99140	1.2
93.07119	1.7
109.06644	1.5
111.08167	32.6
112.08517	1.8
127.07607	3.5
151.11264	1.3
164.92828	1.2
169.12360	7.3
181.12263	1.7
193.12317	1.5
197.11830	100.0
198.12138	4.9
199.13338	3.9
209.15379	3.1
211.13405	8.2
223.17230	1.3
227.12926	2.8
258.26660	1.4
263.20093	5.3
265.17947	3.0
273.18628	1.4
291.19672	18.8
292.20160	1.5
309.17184	2.0
309.20728	33.8
310.21164	2.3
322.85278	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98033	0.5
59.01379	2.4
61.98845	0.5
69.82597	1.6
69.82986	0.8
71.01385	28.1
73.02955	1.1
84.57975	0.5
85.01194	1.1
85.02949	1.4
85.93232	0.5
89.02439	1.0
89.03960	1.9
95.01379	0.8
96.96008	1.1
98.20635	0.5
99.00878	1.0
101.02466	1.5
103.02253	2.8
113.02440	1.1
115.00381	9.3
117.03474	8.2
133.01424	1.0
134.03748	84.8
135.04126	2.7
137.02452	1.7
149.06099	8.0
159.02905	0.6
161.04547	1.5
178.02710	5.7
193.05066	100.0
194.05405	5.2
291.99622	0.6
309.06497	4.7
309.11877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	13.5
71.33852	2.3
72.19949	1.1
115.00377	18.2
117.03469	3.5
133.01447	41.0
134.03749	58.3
135.04114	2.8
149.06073	4.4
178.02747	2.0
193.05066	100.0
194.05383	6.4
264.39505	1.1
300.33627	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32854	0.6
66.30017	0.6
70.73984	1.6
71.01389	17.6
83.91464	0.6
89.03980	2.6
115.00383	12.4
117.03462	6.0
133.01436	14.8
134.03749	62.1
135.04115	2.4
137.02431	0.9
149.06091	4.5
178.02718	4.2
182.10838	0.6
193.05066	100.0
194.05424	6.0
250.09900	0.6
319.63083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30854	1.1
69.58132	7.9
69.69335	1.1
71.01382	20.8
72.99307	1.7
86.81842	1.1
89.02459	1.1
89.03963	1.8
105.87494	1.0
115.00379	37.1
117.03454	4.2
123.12538	1.5
133.01436	90.6
134.03749	100.0
135.04057	5.5
149.06056	4.2
193.05058	93.5
194.05374	4.1
221.05385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.24956	1.0
51.43604	1.0
57.03446	1.4
58.00586	3.7
59.01384	88.6
61.98839	2.3
65.74653	1.0
71.01386	69.7
71.58647	1.4
72.99304	4.5
73.02940	2.7
75.00859	1.0
83.01379	1.5
85.01162	1.5
85.02946	10.7
87.00867	2.8
89.02446	50.6
89.03937	2.0
90.02762	1.0
95.01388	3.9
99.00909	2.2
101.01773	1.8
101.02454	35.2
103.02214	3.9
109.57757	1.0
113.01685	1.5
113.02460	20.3
115.00366	8.5
117.03485	6.2
119.03508	22.4
119.04934	1.4
122.03732	2.0
122.43730	1.1
128.03537	1.6
129.00146	1.4
131.03523	2.9
133.01450	6.8
134.03748	65.1
135.04065	2.2
137.02448	1.5
139.04062	1.0
143.03494	2.2
146.08214	2.5
147.06528	1.4
149.02420	3.7
149.04565	1.3
149.06076	5.5
161.04555	4.4
178.02701	4.7
179.05612	3.3
180.03421	1.1
180.06763	1.5
193.05061	76.9
194.05406	4.0
205.05008	1.7
309.06787	5.9
309.11917	100.0
310.12415	6.7
310.15576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0931
Annotation	N-Demethylcrychine
Peak:m/z	Relative Intensity
58.42409	0.4
60.98851	0.5
70.75571	0.7
70.75880	1.0
71.01383	1.1
89.65234	0.5
91.05533	0.5
93.03474	0.5
97.06595	1.6
98.06917	1.1
105.03497	0.8
105.60672	0.5
106.04327	0.5
107.05048	1.4
109.02955	2.2
110.68039	0.5
111.02777	0.5
115.00408	1.4
116.05073	100.0
117.03486	1.1
117.05428	3.1
119.05042	4.0
121.03022	0.8
129.03456	3.9
130.04254	1.0
133.01447	2.2
133.02992	1.7
134.03767	25.2
135.04584	66.9
136.04893	4.8
137.02489	0.6
142.06664	5.0
144.04533	0.7
145.02936	0.9
146.03755	3.1
147.04541	28.5
148.04875	0.9
159.04482	1.0
161.02489	1.0
163.04030	1.1
173.02499	0.6
177.01828	0.9
178.02667	3.2
179.03516	55.6
180.03920	3.6
187.43701	0.5
190.87358	0.5
191.03532	16.9
192.03841	1.9
193.05080	4.5
206.09883	0.7
218.09581	0.7
220.07591	0.7
221.08434	0.6
231.06911	1.1
232.10602	0.9
235.06268	0.8
235.09926	0.7
236.10811	1.8
246.09323	1.2
247.06361	3.4
248.07173	17.7
249.07925	4.4
262.08679	6.4
263.09039	0.9
264.10303	36.9
265.10635	3.2
276.09509	2.4
308.09271	86.4
308.12262	9.1
309.09625	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89278	1.0
68.19820	1.1
69.85799	5.1
71.01385	21.0
72.99310	1.5
76.76318	1.0
89.03954	2.1
115.00384	26.0
117.03548	5.5
133.01439	53.5
134.03746	100.0
135.04070	2.8
149.06071	6.7
166.82893	1.5
178.02664	3.3
191.31958	1.1
193.05066	86.6
194.05417	5.7
199.06232	1.2
200.68127	1.1
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	Unknow
Peak:m/z	Relative Intensity
50.56163	2.3
50.62835	2.1
50.96096	2.3
57.03456	15.6
59.01382	12.8
69.03442	5.0
71.01375	10.4
71.52004	2.4
73.56824	2.4
76.55247	2.4
80.02669	3.5
81.03461	4.1
83.05043	6.1
84.49954	2.4
95.05054	4.1
97.06599	21.7
98.03746	3.3
99.53645	2.5
106.04258	3.5
109.06585	8.6
111.08170	14.1
115.92081	2.4
123.04545	3.6
125.09681	6.3
133.10196	2.8
137.06038	3.1
147.11847	3.6
149.09761	4.9
151.11292	27.7
153.09244	6.0
153.12918	3.2
155.10841	17.9
163.11308	8.1
165.12871	37.5
167.10770	3.5
169.12340	3.9
177.09227	2.7
177.12814	5.2
179.10820	12.3
181.12346	27.5
191.10789	16.9
191.14427	11.3
195.10219	3.5
197.11844	3.0
205.12369	4.3
209.11847	66.4
211.13361	10.6
224.10464	2.5
239.09253	3.1
245.19139	45.8
246.19296	3.1
261.18588	3.0
263.20169	58.1
264.20493	5.9
271.17163	4.6
279.19693	6.3
289.18109	59.6
290.18423	3.8
307.19147	100.0
308.19388	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	307.2281
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
55.44415	0.3
59.01377	0.4
65.27342	0.3
73.70152	0.3
81.67026	0.3
84.80068	0.3
85.09534	0.4
86.89690	0.3
98.20743	0.5
99.93445	0.3
106.39696	0.3
116.92867	0.8
213.14975	0.4
229.26213	0.4
250.92653	0.3
307.22787	100.0
308.23135	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16657	2.2
57.03456	5.7
58.25692	2.7
59.01365	5.2
67.05595	2.7
71.37360	3.8
71.37689	2.9
73.46820	2.4
80.02643	3.1
81.03480	5.4
83.01385	8.0
83.05059	2.4
95.05053	4.5
97.02962	7.2
97.06564	13.3
109.06635	2.3
110.03750	2.6
119.08666	2.7
123.04539	12.6
123.08110	6.5
125.06082	3.8
125.09722	22.9
137.09776	12.6
149.06023	2.8
163.11316	21.7
165.12793	3.2
179.10773	4.6
181.12308	5.7
185.11833	26.9
191.10873	5.8
191.14413	18.5
193.24655	2.6
207.10237	11.7
209.11842	38.7
225.11322	11.4
245.19113	48.5
255.79198	3.4
261.18503	2.4
271.17017	5.2
280.33945	3.5
289.18112	100.0
290.18396	8.9
307.15573	3.9
307.19135	63.3
308.19479	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	307.1916
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
50.56662	1.8
57.03446	7.6
59.01371	11.5
61.01712	2.2
69.84735	1.9
70.51965	7.5
71.01380	8.3
71.05013	2.4
80.96502	2.2
81.03445	3.4
83.05017	5.4
95.05034	3.4
97.06597	17.2
97.95232	2.0
107.05101	2.0
109.06593	3.4
111.08155	8.9
113.23358	2.1
123.04455	2.7
123.08202	2.1
125.09707	4.9
135.08226	3.3
137.06093	3.6
137.09712	4.8
138.06918	2.3
149.09717	4.9
151.07687	2.7
151.11302	18.5
153.09245	3.4
153.12881	3.4
155.10817	14.0
163.11313	6.8
165.12846	18.2
167.10750	5.2
169.12323	4.7
177.12807	3.5
179.10770	6.8
181.12352	25.4
182.12560	2.7
191.10796	11.0
191.14388	10.7
205.12398	3.8
209.11845	47.9
211.13426	7.5
217.15991	2.5
224.10776	2.8
239.09268	3.8
245.19118	38.0
246.19427	3.9
261.18533	3.8
261.71707	2.2
263.20084	11.7
265.32419	2.1
271.17096	4.2
279.19553	6.1
289.18094	46.1
293.95950	2.0
307.16125	3.6
307.19135	100.0
308.19473	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	20.0
61.98834	6.2
67.96387	3.8
69.03443	4.4
70.74264	10.2
71.05027	10.5
73.02943	5.8
79.95755	12.2
80.02694	6.1
81.03455	7.8
83.05041	12.7
84.02180	13.4
88.94428	4.2
95.05029	47.6
97.06609	5.2
109.06595	16.7
111.04543	11.0
113.06081	43.3
116.92851	4.5
133.44847	4.2
136.57744	4.6
149.06160	4.7
161.07339	4.8
170.15549	7.9
171.15791	6.7
179.23329	4.3
183.13972	7.5
185.11862	5.2
193.12318	9.5
195.13957	8.3
209.11841	7.8
211.13365	18.4
233.15482	20.7
245.19102	15.9
261.18719	5.2
263.20126	47.9
264.20422	4.5
270.00406	4.9
289.18091	100.0
290.18286	6.1
307.07953	4.9
307.19141	75.3
308.19244	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.32836	0.4
56.08915	0.5
57.03450	0.5
59.01384	4.2
61.98849	0.5
69.03461	0.8
70.98716	0.7
70.99071	1.0
71.01396	0.7
71.05022	6.0
75.34053	0.4
80.02671	1.3
81.03453	1.9
83.05026	1.8
95.05039	2.3
97.06602	0.8
98.03739	2.4
106.04262	0.8
109.02976	1.0
109.06601	13.7
110.03794	0.5
110.06966	0.4
111.04530	6.9
111.08169	1.2
112.05302	1.0
121.06589	0.9
123.08157	1.6
127.07658	2.9
129.09241	0.4
135.08226	1.0
137.06120	1.1
137.09738	0.6
143.10760	1.9
145.06598	2.7
149.06107	0.8
149.09702	1.8
151.07629	0.8
151.11296	1.1
161.09808	0.5
163.11250	0.5
167.10771	1.9
169.12379	0.7
177.12817	0.7
179.10745	1.6
181.12465	0.8
191.14380	1.1
195.13879	3.8
207.17589	0.7
233.15646	0.5
235.13492	2.2
245.19112	6.7
249.14984	0.7
251.16577	1.3
261.18494	0.6
271.16977	1.5
273.14905	0.7
287.16547	2.1
289.18106	100.0
290.18451	9.0
302.65707	0.5
307.16040	0.8
307.19226	11.4
308.19492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96727	0.5
61.70274	0.2
67.21941	0.2
74.99070	5.8
75.96235	0.3
86.05366	0.2
89.71906	0.2
91.02218	2.6
93.00150	2.4
116.92835	0.2
131.20700	0.2
149.00955	2.1
159.08467	7.1
160.08693	0.2
161.06393	2.0
192.97980	0.4
206.99792	1.6
209.01265	2.6
217.07230	0.8
223.02835	50.0
224.02887	4.3
225.00700	0.4
241.03880	0.5
269.38962	0.2
275.05997	0.3
289.07635	2.0
291.09100	100.0
292.09219	11.4
298.22525	0.2
305.27527	0.2
307.12158	3.2
307.15393	0.4
308.12259	0.4
309.10156	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50069	2.4
53.85702	2.0
54.29377	1.9
57.03452	4.8
58.53748	2.0
59.01370	6.3
60.89947	2.3
65.03966	39.3
69.03454	3.8
70.35550	9.0
71.05023	21.5
72.40357	2.2
83.05038	10.4
85.06586	3.4
87.62561	2.2
93.03453	16.0
97.06594	44.3
98.20573	3.1
105.71684	2.7
106.04284	4.0
107.08640	2.6
109.06604	5.4
111.08102	3.3
117.07113	12.9
119.05029	6.2
119.08682	27.2
121.06596	60.4
121.10233	2.6
122.06934	2.3
123.08187	3.8
125.09733	38.0
133.06593	7.4
135.08173	73.6
136.08479	4.2
137.09731	4.0
138.06847	4.5
171.10265	51.9
185.11827	47.3
198.32726	2.1
205.15942	4.9
209.11829	23.8
211.13388	30.2
221.15617	2.7
227.17993	4.2
231.13806	4.5
233.15515	13.4
235.13394	47.9
236.13747	3.6
245.19046	7.0
249.14923	17.0
251.16388	2.2
261.18546	3.3
271.17062	4.2
279.19586	9.1
280.49542	2.1
289.18106	100.0
289.21347	5.2
290.18475	10.1
307.19196	51.8
308.19550	5.9
308.23334	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	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24344	0.3
57.77670	0.3
59.01384	0.6
61.82597	0.4
71.59682	0.3
72.76202	0.3
74.99077	5.6
91.02209	2.7
93.00137	2.3
93.35989	0.4
98.19835	0.7
149.00964	3.4
152.68214	0.3
159.08466	7.1
161.06424	2.2
170.10416	0.4
181.74706	0.3
192.98088	0.5
204.81329	0.4
206.99644	1.7
209.01231	2.9
217.07225	0.6
223.02844	50.6
224.02890	4.2
241.03860	0.8
282.86536	0.3
289.07571	1.8
290.07629	0.6
291.09113	100.0
292.09225	11.7
307.12183	2.8
307.19092	0.6
307.22675	0.3
309.10098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1187
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
51.02147	0.1
59.01374	0.4
69.27138	1.1
71.01395	0.1
78.80747	0.1
80.96542	0.1
85.57812	0.1
89.03973	0.2
93.03471	0.2
93.95039	0.1
94.02636	0.1
95.05045	0.3
96.96018	0.3
97.06593	6.3
98.06966	0.2
105.03483	0.7
106.04250	1.0
113.11845	0.1
116.05079	1.2
117.03477	0.4
119.05020	0.3
121.02893	0.2
129.03452	0.1
133.02971	3.1
134.03746	100.0
135.04559	16.9
136.04874	0.7
137.02422	0.6
139.04025	0.3
147.04539	1.4
177.01936	4.6
178.02728	13.3
179.03534	2.9
180.03838	0.1
180.17049	0.1
187.07645	0.2
191.03531	0.3
213.09119	0.1
231.10291	3.0
232.10634	0.2
235.55183	0.1
264.10349	0.2
275.09247	4.6
275.78323	0.1
276.09567	0.3
282.28528	0.1
284.61111	0.2
307.11871	31.1
308.09183	0.3
308.12228	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	307.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92418	0.2
58.59179	0.2
59.01378	1.2
71.01369	0.3
71.31814	0.5
76.50282	0.2
87.79821	0.3
93.03475	0.7
95.05043	0.5
96.96029	0.8
97.05960	0.3
97.06597	5.1
105.03467	1.5
106.04269	1.5
109.02962	2.9
109.84906	0.2
111.00888	0.4
116.05061	3.2
118.23698	0.2
119.08678	1.4
121.02966	1.8
123.08124	0.2
125.09783	0.3
133.01904	0.2
133.02971	16.1
134.03752	87.1
135.04578	13.5
136.04863	0.5
137.02454	12.9
138.02777	0.5
139.04007	4.3
139.04982	0.3
147.04518	0.8
149.02409	0.4
150.03258	1.2
151.07719	0.2
154.06668	1.1
161.02444	0.5
162.03242	2.1
163.03932	0.2
165.01892	0.7
177.01944	20.9
178.02724	100.0
179.03424	9.4
180.03801	0.2
185.11882	0.3
187.07777	0.3
191.03619	0.2
207.14093	0.3
213.09258	0.7
231.10266	1.9
232.10817	0.2
235.13353	0.3
236.07233	0.6
236.10748	0.4
246.09320	0.3
247.09753	0.5
248.07097	0.3
257.08130	0.3
262.08826	0.4
264.10339	4.1
275.09280	4.2
276.09509	0.3
289.17993	1.5
290.18704	0.3
307.12003	1.0
307.15775	0.4
307.19189	0.9
307.63300	0.2
308.09296	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	306.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98833	100.0
62.98542	0.4
71.10110	0.5
86.21393	0.2
121.02956	0.4
134.31422	0.2
161.98994	1.3
162.98541	0.6
163.98718	0.5
164.96396	65.8
165.96492	3.9
178.97891	0.2
206.97452	27.7
207.97614	1.6
261.39282	0.2
299.94235	0.2
306.97552	21.9
307.11740	0.3
307.97610	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	307.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62852	0.2
55.98727	0.2
57.01642	0.3
59.01380	0.5
68.37586	0.2
70.56422	0.2
70.86490	0.3
70.86833	0.5
71.01383	0.5
71.05028	0.4
83.05162	0.3
93.03476	0.7
95.05076	0.6
96.96032	0.3
97.06593	5.6
102.16803	0.2
102.21712	0.2
105.03441	1.1
106.04267	1.6
106.93557	0.2
107.05058	0.3
107.54202	0.2
109.02993	0.3
111.00892	0.4
116.05058	0.5
116.92838	0.3
121.02959	2.4
127.60950	0.2
133.02965	14.9
134.03749	100.0
135.04561	27.1
136.04858	0.9
137.02449	11.7
138.02840	0.4
139.04024	4.0
145.02966	0.5
149.02464	0.6
150.03244	1.3
161.02429	0.7
162.03242	2.6
165.01904	0.3
177.00757	0.5
177.01935	21.1
178.02719	96.8
179.03477	17.7
180.03851	0.7
213.09151	0.7
231.10269	2.4
242.69423	0.2
247.09775	0.8
275.09271	5.1
278.08121	0.5
289.17960	1.1
295.74185	0.2
307.11932	1.5
307.19208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1187
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
59.01379	0.2
65.25911	0.1
69.46059	0.8
84.35576	0.1
86.56458	0.1
93.03465	0.1
95.05048	0.3
97.06590	6.3
98.06931	0.1
100.11290	0.1
105.03445	0.7
106.04259	0.9
107.05012	0.2
116.05061	1.3
119.05036	0.2
121.02952	0.3
129.03490	0.1
133.02968	3.7
134.03745	100.0
135.04582	9.3
136.04878	0.3
137.02461	1.2
139.04048	0.5
147.04523	1.1
150.03259	0.2
164.06828	0.1
177.01936	5.9
178.02713	19.2
179.03450	2.0
187.07689	0.1
191.03520	0.3
203.10825	0.1
208.94542	0.1
231.10258	2.9
232.10617	0.2
248.07228	0.1
264.10345	0.3
275.09250	4.1
276.09570	0.3
307.11859	24.8
308.09183	0.5
308.12195	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03456	3.1
58.00600	4.1
58.02985	3.3
59.01382	9.4
63.68630	0.5
68.99820	2.3
69.03454	1.7
69.60600	4.1
71.01389	19.6
72.99315	1.0
73.02948	0.8
74.02469	7.4
75.00883	0.6
82.02999	0.9
83.01387	2.6
84.02167	1.1
85.02959	4.9
86.02473	2.8
87.00882	2.4
87.05637	2.4
87.58136	0.5
89.02455	2.7
90.00190	1.1
97.02956	2.5
97.04018	0.9
98.19859	0.9
99.00886	10.3
99.05656	6.8
101.07233	1.0
106.33192	0.5
108.90278	0.5
109.04102	1.2
111.00900	3.9
112.04106	1.1
113.02392	0.6
116.05070	100.0
117.01956	0.6
117.05424	3.3
123.05673	0.8
127.05171	0.8
128.03555	15.8
128.05025	4.9
129.01050	1.1
129.01955	12.4
130.06638	6.9
131.04674	0.8
135.05710	1.3
141.06703	1.9
142.06624	7.1
143.04636	23.7
143.07068	0.7
144.04572	1.4
145.06258	1.2
146.04597	1.9
153.06726	1.0
156.04539	1.0
157.05357	2.6
157.65392	0.5
158.06117	19.2
159.02985	2.7
159.06471	0.9
160.00732	5.6
166.06638	0.6
166.09883	0.9
167.04622	1.6
170.06128	6.1
172.04056	1.3
172.07701	12.4
173.07999	0.6
177.03554	2.2
179.04662	4.9
182.06088	1.2
184.07707	1.4
185.05721	0.9
186.05623	2.1
188.07185	54.6
189.07518	2.5
196.07639	1.5
197.05733	0.7
200.07242	1.1
202.05092	0.7
204.06682	5.8
210.05627	2.5
210.08839	3.9
212.07253	1.1
214.08757	15.3
215.09027	0.8
216.06653	2.4
218.08209	1.7
228.06657	4.9
242.07784	0.9
246.07681	5.1
254.07822	5.9
255.47643	0.6
272.08914	7.7
273.09308	0.7
288.06082	1.0
288.09088	4.4
306.07297	9.0
307.08139	0.6
310.09634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0767
Annotation	Glutathione
Peak:m/z	Relative Intensity
57.97551	0.7
58.02978	13.7
58.99618	0.7
59.01377	0.9
61.15373	0.4
63.30720	0.4
66.03497	1.7
66.99520	0.4
70.02984	2.0
71.01369	0.9
72.00916	2.7
74.02481	27.6
74.99100	1.2
79.53176	0.4
80.03794	0.5
81.04586	1.9
81.68589	0.4
82.02993	4.4
82.66418	0.4
84.04558	1.9
85.04085	1.1
86.02485	10.9
86.06129	1.1
86.99118	2.4
87.05645	10.4
88.04069	1.4
90.00191	4.2
96.04575	0.9
96.96022	1.3
97.04084	3.9
98.00755	0.8
99.05650	22.5
100.00396	0.7
100.04059	0.8
100.62179	0.5
101.07194	3.4
102.05634	2.7
107.06167	0.9
108.04580	0.5
109.04077	2.7
109.07737	1.0
110.02490	0.6
111.05602	2.4
111.29280	0.5
112.04044	3.6
113.03594	1.9
116.01783	1.9
116.05154	0.5
120.01290	0.8
123.05651	2.8
124.04051	1.8
125.03587	2.1
125.48756	0.5
126.02036	0.9
127.05144	4.9
127.08788	0.5
128.03548	65.1
129.03908	1.0
131.04634	2.5
133.04300	0.6
135.05656	5.8
137.07234	1.4
139.01595	0.5
141.06689	7.1
143.04633	100.0
144.01244	3.8
144.04955	1.9
145.06198	4.2
146.04602	8.2
146.05945	0.8
149.07239	1.2
153.06725	5.6
155.08275	1.0
160.00749	24.7
166.09860	3.4
167.04636	7.5
167.08305	2.4
170.03358	1.4
171.04114	1.0
171.07758	1.5
177.03391	9.8
179.04622	18.2
180.07802	1.0
181.06226	2.0
184.10941	1.7
185.05693	4.3
190.05057	0.6
192.07822	1.6
197.05710	3.9
198.08801	1.2
210.06833	1.0
210.08853	17.7
211.09154	0.6
213.03435	0.8
226.41663	0.5
228.09959	1.8
231.04404	0.8
242.07803	2.9
254.07825	25.0
255.08043	1.0
272.08884	31.5
273.09128	1.5
288.06595	7.2
306.07666	45.1
307.04800	0.7
307.07813	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	306.0767
Annotation	Glutathione
Peak:m/z	Relative Intensity
54.57419	0.7
58.02983	15.6
59.01385	1.3
66.03494	1.7
70.02989	2.4
71.01392	2.9
71.37566	1.4
72.00919	3.1
73.02946	1.1
74.02476	28.7
81.04580	2.0
82.02979	3.5
84.04562	1.5
85.04049	1.3
86.02480	10.6
86.06126	1.3
86.99093	2.1
87.05649	12.6
87.13721	0.8
88.04055	0.9
90.00204	4.2
96.96040	1.3
97.04090	3.1
99.05655	23.9
100.02184	0.7
101.02467	1.3
101.07235	4.0
102.05647	3.6
105.57415	0.8
107.06187	1.1
109.04093	4.1
109.07704	1.1
111.05638	2.1
112.04050	5.7
113.03611	1.8
116.01764	1.3
120.01259	1.7
123.05640	2.8
124.04042	2.2
125.03571	3.0
127.05134	4.8
128.03548	67.2
129.03891	1.2
131.04642	2.4
135.05627	6.4
137.07228	2.2
141.06708	7.7
143.04634	100.0
144.05009	1.8
145.06201	4.8
146.04597	9.5
146.86432	0.8
153.06702	6.2
155.08275	1.4
160.00740	25.8
161.04509	0.7
161.13647	0.7
165.53888	0.8
166.09859	3.7
167.04622	6.7
167.08302	2.5
170.03322	1.1
171.04054	1.1
171.07811	1.9
176.64508	0.8
177.03400	9.3
179.04640	21.5
181.06203	2.7
184.10887	1.7
185.05687	4.8
192.07719	1.1
197.05661	4.0
198.08858	1.8
210.08849	19.8
211.09100	1.0
213.03316	0.9
228.09888	1.7
242.07849	3.2
254.07837	28.4
255.08205	2.1
263.09262	0.9
272.08884	35.1
273.09128	1.9
275.09247	0.9
288.06567	6.8
306.07651	49.3
307.07813	3.4
307.11380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83083	1.0
54.34471	1.0
58.32444	1.1
59.01377	1.8
61.98834	100.0
70.17058	1.0
71.01414	1.4
71.58894	1.1
71.59261	1.3
72.00906	2.7
74.99094	1.2
84.68708	1.1
98.46829	1.3
99.00906	2.0
111.02023	1.9
142.05092	2.4
144.01265	3.5
148.04343	2.9
171.01518	1.3
172.00999	1.5
180.99998	2.3
186.04245	1.6
198.02568	2.4
204.98219	1.0
226.02081	2.3
258.44077	1.2
306.03201	3.3
307.07837	2.9
318.68808	1.4
327.22318	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80501	1.0
61.98835	100.0
64.14059	0.9
67.26319	0.8
70.22252	2.0
70.22649	2.0
71.01398	1.2
72.99317	3.3
74.02469	1.8
86.02499	1.3
87.05656	1.2
96.96010	1.0
99.05659	1.9
100.63724	0.8
101.98112	4.0
116.54229	1.0
117.01963	2.6
128.03545	5.9
133.01413	4.6
133.05066	1.7
135.05556	1.0
141.06712	1.1
143.04643	8.3
146.04543	1.0
160.00800	1.8
167.04556	1.0
174.00165	0.9
175.97238	0.8
179.04622	1.6
209.94594	0.9
254.07811	2.1
272.08948	2.9
306.07623	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	304.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	44.4
59.01379	0.5
59.03319	0.4
60.18745	0.3
70.47128	1.0
98.20661	0.4
129.00055	0.3
129.45206	0.3
162.05122	0.3
168.13940	100.0
169.14316	5.5
196.84740	0.3
212.12910	4.1
304.19095	1.0
322.30231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01374	2.1
61.98811	1.5
62.14520	0.9
66.49320	0.9
71.08548	1.6
73.02921	1.0
79.05532	1.0
91.05524	6.4
97.06570	3.4
106.04247	12.4
107.08672	3.9
117.07117	6.7
119.05012	5.4
121.02936	1.6
123.08149	2.0
125.08813	1.0
125.09725	21.9
135.08168	53.1
136.08488	2.1
145.61906	1.0
153.09155	1.9
161.06015	1.4
162.06837	2.9
169.08647	1.3
171.10275	8.7
185.11876	2.9
189.13026	0.9
212.92258	0.9
241.15887	1.4
243.17567	2.2
247.13367	4.2
249.14880	2.2
261.14859	3.2
261.18536	1.4
262.15747	1.1
269.15515	6.4
272.47797	0.9
275.16519	1.5
277.18207	4.4
287.16553	24.7
288.16940	2.2
303.16113	1.5
305.17587	100.0
306.17929	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	305.2488
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
57.42334	0.3
57.42628	0.3
59.01394	0.5
63.99348	0.3
66.42370	0.3
71.01366	0.3
85.66559	0.4
98.20412	1.9
113.06116	0.5
145.28870	0.3
154.58623	0.4
240.54393	0.4
288.10300	0.4
305.24884	100.0
306.25238	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	304.1193
Annotation	Pancratinine D
Peak:m/z	Relative Intensity
53.84865	1.0
53.85182	0.8
57.13402	0.8
59.01377	3.7
59.30439	0.9
61.93565	0.9
65.80246	0.9
71.01370	2.0
87.00856	1.0
91.00948	1.0
93.46872	0.8
94.75002	0.9
96.04534	1.1
96.96028	1.8
120.16353	0.8
134.09772	1.9
136.07750	1.3
144.08209	5.9
146.09732	3.3
158.06114	1.4
158.09767	1.0
160.07697	13.6
160.11276	6.2
162.09254	10.9
164.07132	4.4
170.09772	6.8
172.07666	1.6
174.09235	1.4
174.12753	0.9
176.10799	2.6
184.07603	1.5
186.09259	13.5
188.10820	24.2
189.11162	1.8
190.08737	17.6
198.09264	1.7
200.10883	1.3
204.10300	3.6
214.05144	1.1
214.08662	1.9
216.10301	21.9
218.08220	76.5
219.08554	4.0
230.08356	1.3
231.08977	2.4
232.09798	2.8
244.09790	34.4
245.10173	1.6
259.08496	3.4
260.09134	1.1
260.12820	1.3
278.10333	51.6
279.10687	3.4
304.11911	100.0
305.12445	8.0
315.07458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56499	4.0
52.96357	3.6
59.01365	11.7
60.46998	4.3
70.33628	6.4
70.34004	9.1
71.01365	4.2
82.76274	4.6
83.05032	4.7
92.05060	3.9
96.96000	14.7
97.06547	6.4
98.02486	6.6
102.05610	6.7
120.01260	58.9
139.10210	4.9
139.11304	100.0
140.11690	4.5
146.70209	3.7
158.09743	26.8
172.11276	6.2
174.12888	82.7
175.13213	6.0
183.10255	90.6
200.04784	7.1
201.09247	5.2
216.17534	15.9
229.08659	7.0
260.16644	20.3
275.33673	4.3
304.05988	4.9
304.15561	25.7
305.10477	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0828
Annotation	Ascorbigen
Peak:m/z	Relative Intensity
50.86279	4.9
55.01874	5.1
59.01371	33.9
67.14334	5.8
70.34902	17.7
71.01389	30.5
72.00922	5.1
72.99306	6.7
78.77331	4.9
79.95732	8.2
83.01386	23.3
85.02979	7.0
87.00870	21.9
92.83637	4.9
96.78130	5.2
96.95981	7.3
97.06582	5.9
99.00896	11.6
111.00892	7.9
113.99594	17.1
115.00382	100.0
116.05061	39.6
130.06639	6.3
139.00436	7.6
142.06630	12.3
146.06140	8.9
147.04538	12.1
156.04550	8.8
157.01401	37.7
158.06175	7.7
164.04836	6.4
164.07147	48.5
175.02504	97.1
186.05537	6.5
188.07120	7.0
200.07213	8.9
204.06757	6.2
212.07132	9.3
224.07129	9.0
242.08214	15.9
244.06219	26.3
244.09717	10.8
261.11377	6.0
304.11850	18.5
305.10110	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	304.0828
Annotation	Ascorbigen
Peak:m/z	Relative Intensity
59.01370	8.3
71.01383	6.2
72.99326	3.8
75.00875	10.9
83.01383	13.3
88.96144	4.4
92.43814	3.5
98.20727	9.6
99.00872	12.7
111.00880	10.4
113.99595	14.2
115.00366	44.8
116.05075	100.0
128.05116	4.3
130.06638	5.1
130.99953	3.6
139.00375	17.6
142.06622	60.0
144.83685	4.4
146.06094	5.2
146.23349	4.1
147.02994	4.3
156.04597	9.4
157.01443	22.9
158.06123	8.4
186.05583	30.2
188.07150	7.1
199.10239	4.3
204.06671	15.1
244.06061	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2022
Annotation	Koninginin G
Peak:m/z	Relative Intensity
50.01334	0.4
57.03454	2.5
58.00624	0.5
59.01380	3.3
69.03465	1.3
70.86341	1.2
71.01392	0.6
71.05046	0.8
83.05022	1.4
84.02164	0.6
85.02964	0.7
95.05022	1.6
97.06596	7.1
99.08159	10.9
109.06628	1.0
110.00090	2.5
119.05061	1.1
125.06068	0.8
127.11307	2.7
129.09222	1.5
133.01434	0.5
137.09689	1.6
137.99623	0.5
139.00372	0.5
139.07640	0.5
139.11299	8.1
143.07161	7.7
155.10785	5.2
157.12283	0.5
165.09207	1.3
165.99066	2.5
166.99902	0.8
171.10320	0.8
181.08730	1.0
183.10266	23.2
184.10675	1.0
201.11324	15.9
202.11586	0.6
265.18124	2.2
283.19144	1.3
286.04846	4.3
301.07263	2.9
301.20206	100.0
302.20560	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	303.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97568	21.4
58.00599	5.8
59.01138	6.1
59.01382	67.6
59.31831	4.6
66.77970	4.7
67.58179	4.5
71.01380	50.2
71.36970	4.4
72.99306	35.8
74.49043	4.3
75.00865	18.5
84.04546	4.2
89.02445	44.8
90.18516	4.3
97.06580	18.5
99.00864	12.2
101.02444	5.9
107.05009	5.2
109.04072	8.1
109.06568	8.3
111.01991	5.8
111.08160	9.9
112.98810	14.6
117.01976	22.4
118.33086	4.2
121.06573	11.9
123.08139	4.9
125.03623	4.9
125.06079	8.3
127.05128	33.3
128.03523	11.2
135.02962	13.6
137.02448	5.5
139.07669	12.3
142.99864	70.1
145.06200	100.0
149.06064	16.1
153.05563	19.9
166.06335	6.4
167.07156	28.8
167.10774	11.4
171.10251	9.5
173.00926	21.8
174.01689	24.7
181.08667	11.2
185.11812	32.0
193.05058	13.2
213.11348	49.9
215.03130	8.7
225.07704	25.0
270.09116	6.0
286.06915	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	301.1661
Annotation	Viridamine
Peak:m/z	Relative Intensity
53.98862	0.3
54.82167	0.3
57.44533	0.3
60.97511	0.7
70.83548	0.4
70.83893	0.6
74.99060	0.6
110.94957	0.4
113.66663	0.3
118.96251	0.7
122.82890	0.3
134.99422	5.3
136.97360	1.8
143.05351	0.8
159.08481	1.3
161.06406	5.3
201.04134	0.4
203.05652	2.7
205.03587	0.6
209.36250	0.4
215.05655	0.9
217.07214	77.8
218.07323	4.3
220.03661	0.4
235.25092	0.3
261.06207	0.5
283.12003	0.6
285.13477	34.8
286.13651	3.0
301.16608	100.0
302.16840	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	301.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.3
59.01378	4.8
62.66820	0.5
65.00304	0.7
66.12740	0.5
69.03440	0.9
70.91202	1.2
71.01390	1.9
71.03804	0.5
76.80479	0.5
83.05027	1.4
85.02969	0.6
90.08453	0.5
93.03465	0.7
95.05029	1.4
97.06604	8.1
99.08163	10.1
104.65721	0.6
105.34573	0.6
109.06590	0.9
110.00114	4.1
111.08150	0.8
115.07723	0.6
119.05033	1.9
125.06126	0.9
126.81681	0.7
127.07713	0.8
127.11294	2.6
129.09210	1.7
133.01451	0.7
135.08191	0.8
136.98795	0.6
137.09712	1.7
139.00372	1.0
139.07669	0.6
139.11310	6.1
143.07120	1.5
144.04558	1.0
155.10820	6.9
157.08702	0.9
165.09198	1.1
165.99072	4.0
166.99838	1.6
169.08711	0.7
171.10205	1.1
180.00687	1.1
181.01360	1.0
181.08749	0.9
183.10274	31.4
184.10684	1.2
185.11862	1.1
201.11339	16.7
219.17636	0.6
221.18977	0.6
257.12781	0.9
265.17978	2.5
275.09201	0.9
283.19089	1.5
286.04810	5.9
287.04922	0.9
300.99802	1.5
301.07114	3.7
301.20203	100.0
302.20560	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	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
58.00611	1.1
59.01376	5.5
64.94668	0.5
69.03452	0.6
69.61192	1.4
69.61623	2.4
71.01384	22.3
72.99299	0.7
79.95726	1.3
83.05019	0.6
87.00896	1.2
89.02444	2.4
90.29561	0.5
93.03420	0.8
94.26013	0.5
96.96050	1.2
110.00080	3.9
119.05058	2.3
122.10670	0.6
133.01401	0.9
137.99594	1.8
139.00380	1.1
152.18948	0.7
165.12860	3.8
165.99048	5.1
166.99826	1.6
180.00586	0.9
181.01399	0.8
183.13898	8.2
184.14276	0.7
192.00542	0.6
193.12331	1.8
211.13391	100.0
212.13742	5.3
213.14917	2.9
223.13342	1.3
227.12923	1.2
235.13431	0.9
241.14447	12.2
242.14842	0.8
243.15958	0.8
247.13277	1.0
250.11307	0.5
253.14476	1.8
255.15927	2.5
257.12991	0.9
265.14450	3.8
266.14886	0.7
271.15378	0.7
283.15536	1.7
286.04803	7.9
300.99966	2.5
301.03278	1.3
301.07120	6.1
301.11087	1.7
301.16605	2.5
301.20209	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	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32171	0.3
54.22137	0.3
58.32558	0.3
59.01382	1.9
61.78972	0.3
70.10330	1.2
71.01376	0.5
73.80106	0.3
81.90907	0.3
89.02453	0.7
91.04005	0.9
92.06606	0.3
93.03474	0.6
97.06599	0.3
110.00085	1.6
119.05003	0.8
133.01483	0.4
136.98775	0.3
137.99561	0.7
139.00381	0.6
160.57521	0.3
163.76016	0.3
165.12846	3.4
165.99086	2.5
166.99864	0.8
180.00612	0.8
183.13898	100.0
184.14211	4.8
209.11870	2.6
222.00725	0.3
227.12863	5.0
286.04865	3.7
287.04947	0.4
300.99768	0.5
301.07031	2.8
301.10675	0.6
301.16544	10.7
301.19766	0.6
302.16907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.0
70.17559	1.1
71.01380	0.3
71.12120	0.2
74.21452	0.2
79.41233	0.2
89.02436	0.4
91.04009	0.7
95.65391	0.2
110.00098	1.2
111.08138	0.3
119.05025	0.5
165.12837	3.3
165.99054	1.1
166.99887	0.4
181.01285	0.3
183.13901	100.0
184.14240	5.7
209.11848	2.3
227.12888	5.6
228.13206	0.5
286.04663	1.4
301.07318	1.4
301.16629	10.3
301.20218	1.8
302.16998	1.0
311.93671	0.2
320.88089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1083
Annotation	Dalberatin E
Peak:m/z	Relative Intensity
57.03284	0.8
57.03547	0.7
59.01528	2.4
70.24426	2.7
71.01140	1.6
71.01531	2.2
80.03383	0.7
96.96114	0.8
108.02337	1.3
109.02440	0.8
109.03126	2.1
110.00292	3.4
114.99763	0.6
115.00545	1.8
119.05212	2.8
120.37943	0.8
121.03142	2.1
123.01022	1.4
123.04636	0.8
124.01815	1.3
133.01590	0.7
139.00513	1.7
145.03108	1.1
149.02460	8.8
150.03236	10.4
161.06262	0.7
164.04950	2.1
165.05576	14.5
165.97890	1.2
165.99039	4.1
166.99965	2.0
169.06694	1.2
180.00696	0.9
181.06595	0.8
183.04549	4.2
184.05292	5.0
185.06120	1.6
185.11830	3.7
187.03993	5.7
188.04601	0.9
189.05664	1.1
195.04489	8.4
196.05385	2.2
197.06084	7.5
199.04114	0.9
199.13524	1.0
208.05368	1.5
209.06136	1.1
209.11821	1.0
211.03970	5.0
212.04816	11.9
212.06744	0.9
213.05536	6.9
215.07126	0.8
216.96075	0.7
223.04059	2.6
224.04814	2.9
225.05571	29.9
226.06111	3.8
227.07149	7.3
227.12976	2.9
236.04796	1.3
237.05640	2.9
238.06425	0.9
239.07149	1.3
240.04292	47.0
240.07867	10.3
241.04985	15.7
241.08467	1.6
242.05734	1.8
243.06601	2.2
252.04491	0.8
253.05078	24.5
254.05611	1.8
255.06635	100.0
256.07254	17.9
257.08105	1.2
267.06638	1.5
268.07422	15.9
269.07898	1.3
270.08981	90.5
271.06149	10.4
271.09662	34.9
272.06741	0.9
272.10049	3.3
273.07574	1.0
282.05237	0.8
283.06509	1.2
283.09705	7.4
284.09863	0.9
285.04007	1.5
286.04706	7.3
286.08417	11.8
287.08762	0.9
300.99661	1.3
301.03256	1.2
301.07083	5.6
301.10724	28.8
301.16122	1.5
301.19714	1.2
302.11020	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	301.0929
Annotation	Tachioside
Peak:m/z	Relative Intensity
53.66720	0.4
59.01384	2.6
61.98835	3.0
63.50505	0.4
69.30508	4.5
71.01388	3.4
73.02939	0.9
74.02484	1.0
85.02976	1.1
88.00349	0.4
93.03471	6.5
95.01397	4.4
96.96006	2.1
99.00873	0.9
101.02453	2.2
108.02155	0.7
110.00081	3.5
113.02455	1.7
115.00376	0.6
119.05037	3.1
121.02975	9.1
123.00898	69.1
124.01646	2.3
125.02451	0.8
125.36768	0.6
130.08681	0.5
136.01762	0.5
137.02440	3.7
137.99635	1.1
138.03247	42.2
139.00381	1.9
139.04025	100.0
140.04346	3.0
143.11891	0.7
147.04480	0.6
149.02455	1.5
151.04015	1.4
151.15842	0.6
153.05556	0.6
159.02983	0.7
159.58272	0.5
161.04604	2.6
163.04007	1.2
165.01956	0.7
165.99106	3.6
166.02719	1.8
166.99892	1.8
178.02823	0.9
180.00703	0.6
181.01462	0.7
181.03612	0.8
181.05078	4.5
193.05064	1.8
222.23700	0.5
249.67476	0.4
258.14630	0.5
286.04871	5.5
300.99130	1.5
301.06516	3.2
301.10159	2.2
302.13519	0.6
302.16785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2591
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
59.01361	1.0
65.00330	10.9
69.71361	3.7
78.09146	0.5
82.76649	0.5
83.05015	0.8
83.36345	0.5
98.19906	1.0
99.92572	0.8
101.93446	0.5
108.02185	1.4
108.99285	1.1
110.00130	0.7
117.03482	3.7
119.05024	0.9
121.02954	0.6
129.01427	0.5
136.97784	0.8
136.98814	17.1
138.05693	0.6
141.12831	2.4
145.02963	9.8
148.22354	0.5
149.99565	1.4
156.05823	0.7
164.01147	2.3
165.99080	1.2
183.04497	1.4
184.05276	1.8
185.02396	1.3
186.03183	2.1
187.03865	0.5
190.99968	0.8
199.03967	0.8
200.04750	2.0
211.03941	2.0
212.04767	3.1
214.02603	0.6
227.03461	3.1
228.04251	2.2
235.27893	0.5
239.03404	0.8
253.25407	1.8
255.02989	1.5
256.03705	1.4
281.24796	1.6
283.02460	3.7
284.03262	92.2
285.03595	7.0
297.24362	1.2
299.05594	41.6
299.16519	15.1
299.20187	70.1
299.25854	100.0
300.05975	4.3
300.17023	1.3
300.20511	7.3
300.26190	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	299.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
58.00603	0.8
59.01385	2.7
59.08831	0.4
65.00317	0.6
69.03465	1.8
69.96521	0.8
69.96885	2.0
70.61704	0.4
71.01387	1.5
71.05036	0.7
83.01358	0.5
83.05022	2.1
85.02946	5.2
95.05049	2.8
97.06598	10.7
99.08163	4.0
109.06600	1.3
110.03738	0.9
111.08179	0.6
113.09722	0.6
121.06541	1.1
121.10206	0.5
125.06103	1.1
127.07629	0.8
127.11298	1.9
128.42152	0.4
135.08141	0.8
136.98813	1.4
137.09723	2.8
139.07664	0.9
139.11307	4.4
140.21126	0.4
143.07140	6.3
147.08148	0.6
149.09738	5.4
150.09955	0.4
155.10777	5.5
156.01274	0.5
157.08670	2.0
165.09198	1.8
169.08723	1.1
175.07669	1.2
181.08801	2.2
183.10265	22.8
184.10684	0.9
193.08646	2.6
199.09836	0.6
201.09505	1.0
201.11336	14.4
202.11769	0.5
207.10214	0.8
211.09848	2.1
219.17511	1.6
225.11269	2.2
244.79776	0.5
263.16495	3.5
281.17538	1.8
284.03281	7.0
299.05679	3.0
299.18655	100.0
300.18958	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1865
Annotation	Achaetolide
Peak:m/z	Relative Intensity
51.23472	0.4
57.03460	2.8
59.01391	3.2
62.68137	0.5
65.00311	1.2
69.03460	1.6
69.50539	3.7
71.01379	1.4
71.05023	0.5
74.49833	0.5
77.01460	0.4
79.28082	0.4
83.05025	1.4
84.02178	0.9
85.02954	6.4
92.05845	0.5
95.05036	3.5
96.68612	0.4
97.02962	0.9
97.06596	11.9
98.06897	0.5
99.08167	4.8
103.18442	0.4
109.06615	0.8
110.03741	1.2
111.08139	0.7
121.06602	0.8
125.06126	1.1
125.09695	0.5
127.07696	0.6
127.11293	2.1
135.08145	1.4
136.98802	1.9
137.09737	3.4
139.07629	0.8
139.11295	3.5
143.07140	14.3
147.08170	0.6
149.09740	4.8
155.10785	7.3
156.11124	0.8
157.08725	1.6
165.09207	2.0
165.12811	1.1
167.10812	0.6
169.08739	0.5
175.07658	1.0
181.08684	1.5
183.10272	22.4
184.10611	0.9
190.10396	0.5
193.08653	1.8
201.11324	13.5
202.11588	0.5
211.09808	1.7
217.03874	0.4
219.17558	1.6
259.20059	0.6
263.16507	3.3
273.78851	0.4
281.17545	2.0
283.02362	0.6
284.03262	7.0
285.03558	0.8
299.05640	3.2
299.18643	100.0
300.18988	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	299.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.6
58.00598	1.5
58.62416	0.4
59.01393	1.4
65.00331	4.2
65.99502	0.4
69.86783	0.8
69.87183	2.1
74.20489	0.4
77.11020	0.4
85.03012	0.4
96.96027	0.8
97.06598	1.8
103.98824	0.4
108.02191	0.5
125.09716	4.9
127.11304	5.9
133.30106	0.5
136.98808	7.9
137.09744	2.0
139.11290	0.8
143.07089	1.0
145.06264	0.5
152.06477	0.4
153.09264	0.4
155.10797	3.5
157.12332	0.5
158.03784	0.4
165.09218	2.7
171.10271	5.9
172.05257	0.4
183.04561	0.7
183.10263	1.6
184.05281	0.9
185.02400	0.5
186.03226	0.6
199.09789	2.8
200.04773	0.7
201.11325	100.0
202.11668	4.6
206.38271	0.6
211.04097	0.7
212.04791	1.7
217.00435	0.5
219.17526	1.0
225.11316	0.4
227.03482	1.7
228.04312	0.9
237.18675	0.8
256.03738	0.6
256.13474	0.7
263.16577	1.1
281.17648	7.2
283.02597	1.3
284.03250	34.3
285.03543	3.2
299.05603	16.3
299.18710	6.7
299.25961	0.7
300.06052	1.3
320.88669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0927
Annotation	Confusarin
Peak:m/z	Relative Intensity
57.03433	0.7
59.01365	1.5
64.99991	0.6
65.00328	9.9
69.89296	1.8
80.00182	0.3
83.60714	0.3
85.02951	0.4
95.05029	0.7
96.95976	0.3
97.06584	1.4
107.47307	0.3
108.99284	0.4
109.02897	0.5
117.03441	0.7
135.04520	0.4
136.98819	5.1
137.09744	0.3
139.07646	0.3
139.11295	0.5
143.07144	1.2
149.09666	0.6
149.99571	0.5
155.04994	0.6
155.10738	1.0
157.06654	0.4
158.03714	0.5
159.04482	0.3
164.01173	0.7
165.99075	0.6
167.04977	0.7
167.10698	0.3
169.06573	1.1
170.03725	0.5
171.04579	0.7
173.02333	0.6
183.04526	2.9
183.10263	2.1
184.05312	1.9
185.02448	0.4
185.06070	2.0
186.03290	0.5
195.04518	2.5
196.05273	4.0
197.06033	2.7
198.03194	0.6
198.06757	1.3
199.03957	1.2
199.07445	0.4
200.04704	1.0
201.11276	1.1
205.08655	0.6
207.10185	0.7
209.06111	1.7
210.06750	1.0
211.04004	11.6
212.04787	5.9
213.05428	0.9
214.06282	1.4
215.07098	1.7
216.07913	5.5
225.05560	4.9
225.11320	4.4
226.02649	0.7
226.06313	1.9
226.11533	0.4
227.03461	1.3
227.06960	0.5
228.04201	1.3
228.07941	4.3
229.08662	2.3
231.10245	1.7
239.03554	1.9
239.07161	0.4
240.04120	1.2
240.07933	18.5
241.05046	1.4
241.08217	1.5
242.05734	0.5
243.06651	0.5
245.08066	1.0
253.05130	0.5
255.02902	1.4
255.06578	1.1
255.10173	3.2
256.07425	16.3
257.07715	1.2
258.05423	0.5
259.05972	0.6
263.12790	0.4
263.16406	0.4
270.08917	0.5
271.02487	0.3
271.09799	6.5
272.09995	0.4
273.11322	0.5
281.17642	0.5
283.02414	1.2
283.06064	3.2
284.03223	29.6
284.06830	21.7
285.03546	2.0
285.07117	1.7
288.06433	6.9
299.05591	14.0
299.09186	100.0
299.18527	11.8
300.05878	1.2
300.09509	7.6
300.18890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84319	1.0
57.03441	1.4
58.00587	5.4
59.01380	4.6
67.66447	0.9
69.03445	2.1
70.89315	1.9
71.01373	3.8
73.02947	10.9
83.05030	1.1
84.02153	1.5
85.02973	1.1
95.05060	1.8
96.96027	1.0
97.06600	4.7
100.36684	0.8
109.06618	0.8
115.07620	4.1
123.08179	9.3
125.06097	4.4
125.09734	15.0
127.07655	2.7
127.11279	3.3
135.04448	0.9
135.08162	2.3
137.09737	5.1
141.09235	2.2
151.07637	1.5
153.09227	3.2
155.10771	7.4
169.08672	4.9
171.10266	19.5
172.10561	1.0
181.08694	3.2
187.09734	3.5
199.09758	100.0
200.10205	4.2
201.11325	14.5
217.16011	1.5
235.16963	2.3
245.28552	0.8
253.17964	0.9
261.15118	1.0
269.17493	2.4
279.15881	7.3
297.11539	1.0
297.17078	3.9
297.24292	5.0
298.12546	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	297.1708
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
57.03434	2.5
58.00595	4.1
59.01379	4.4
67.15755	0.8
69.03460	2.2
69.34978	1.6
69.35383	6.6
71.01384	2.9
73.02958	8.6
78.44937	0.7
83.05037	2.0
84.02164	1.0
85.02918	1.2
95.05034	1.5
97.02937	1.1
97.06596	4.8
109.06638	1.4
113.06101	1.1
115.07646	5.7
118.62796	0.8
119.19530	0.8
123.08166	14.5
125.06058	4.5
125.09738	20.6
127.07657	3.2
127.11310	3.8
135.08208	1.7
137.09737	7.1
141.09209	2.3
143.10817	1.1
151.07645	1.9
153.09232	2.9
155.10764	5.8
165.09219	0.9
167.07140	0.9
169.08713	4.6
171.10275	20.1
172.10596	0.9
181.08707	3.4
187.09735	3.6
199.09766	100.0
200.10097	4.7
201.11324	18.1
202.11688	1.0
217.16040	1.7
235.16972	1.7
241.17874	0.9
253.18039	1.5
261.15210	1.0
269.17636	1.1
279.16006	7.9
297.17093	5.1
297.24292	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	297.1709
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
51.35812	0.6
55.64008	0.6
57.03447	1.4
59.01384	32.9
69.03463	0.9
69.60732	0.6
69.81913	1.4
69.82309	1.6
70.73972	0.7
71.01385	2.3
71.05024	1.5
72.02158	0.8
80.02693	1.2
81.03457	3.9
83.05033	38.3
84.02184	4.6
85.02960	0.9
91.74721	0.6
95.05046	2.7
97.06599	5.9
97.82003	0.6
99.04514	0.8
99.08184	1.9
109.06593	8.5
113.09743	1.8
115.07715	1.0
119.08691	1.4
121.06628	0.8
125.09686	1.2
127.07671	7.4
135.08167	13.7
137.09734	4.9
139.07642	3.7
157.08710	8.0
163.07637	3.2
169.08731	8.5
178.09982	1.8
181.08722	100.0
182.09009	4.3
183.10243	0.9
199.09746	4.2
207.13933	0.7
208.07425	1.3
210.08980	13.4
211.09277	1.0
217.16034	3.5
228.10059	1.8
235.16998	2.9
261.14908	2.5
279.16028	30.5
280.16400	1.9
297.17102	14.9
298.17545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29396	0.4
68.00861	0.4
70.17496	1.5
78.46387	0.3
79.95339	0.4
79.95703	1.8
93.57014	0.4
111.32780	0.3
119.05037	0.8
147.70015	0.4
170.00458	1.6
171.07857	0.4
176.40529	0.4
183.01212	53.4
184.01907	4.4
197.02771	2.4
198.03456	0.7
212.04883	0.4
213.04100	0.4
216.01031	3.3
225.05896	0.5
230.02692	0.8
239.07445	1.1
297.15302	100.0
298.15619	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	297.1709
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
52.90771	2.2
57.03457	4.8
59.01385	33.1
69.03464	4.0
71.01389	13.0
71.05025	3.7
71.16363	3.6
72.15202	2.2
73.02946	6.9
74.02474	11.1
79.95778	3.0
81.03450	5.4
83.05029	27.8
84.02157	6.2
85.02935	5.7
86.02467	7.9
88.70443	2.1
95.05040	5.0
96.96002	7.1
97.06589	15.1
99.08157	9.6
107.05006	4.0
109.06586	7.2
111.04530	2.9
111.08153	5.9
113.09754	4.8
115.07655	5.6
123.08183	3.0
125.06085	3.5
125.09708	7.9
127.07677	17.9
132.79323	2.5
133.06648	5.3
135.04510	3.0
135.08148	8.8
137.09727	8.2
139.07651	7.1
151.07654	3.1
153.09193	3.7
155.10788	7.7
157.08699	29.7
169.08717	24.0
171.10287	12.4
178.09944	5.5
181.08722	67.1
181.12303	8.0
191.03459	5.7
199.09740	52.7
200.10179	3.2
201.11360	6.7
208.07390	2.8
210.08971	32.8
211.09242	3.2
211.73213	2.4
217.15950	12.1
223.13463	4.0
228.09813	2.9
235.16978	7.4
261.14960	8.3
279.16006	100.0
280.16415	8.0
297.11722	5.9
297.16980	48.5
297.20529	3.4
297.21140	4.6
297.24283	36.1
297.27704	3.5
298.11209	7.1
298.17337	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	295.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86653	0.5
70.19874	1.6
71.01380	8.0
72.99314	2.0
79.00453	0.5
89.02436	1.2
89.57584	0.5
98.20577	0.6
115.00382	26.9
121.04523	0.5
133.01440	100.0
134.01793	2.2
134.03754	0.7
135.04535	7.0
179.03499	11.1
206.89590	0.5
242.84247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.38342	0.5
57.03445	1.1
59.01379	4.2
71.01390	1.6
74.98606	0.6
99.08165	0.6
109.99542	0.6
113.09735	2.5
114.03081	0.5
115.00393	3.9
124.32034	0.5
133.01447	11.0
134.01683	0.6
135.04536	1.6
151.53282	0.6
151.72432	0.5
177.12880	1.0
179.03499	0.7
179.14444	1.0
183.13887	2.9
195.13913	23.9
196.14211	0.7
253.14548	0.7
277.21722	19.5
278.22061	1.9
284.80594	0.6
295.22775	100.0
296.23135	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.54734	0.7
57.03444	2.1
58.77688	0.8
59.01385	5.8
60.70047	0.7
64.56419	0.6
70.81312	2.0
71.01387	2.4
115.00403	4.4
119.04983	0.9
125.09747	1.3
133.01443	10.9
135.04550	1.5
139.11400	1.1
141.12852	1.0
151.11336	1.1
155.14423	2.4
156.48589	0.9
171.10287	38.0
172.10628	1.5
179.03564	1.4
183.10303	1.9
195.13901	2.2
233.22749	0.9
251.23790	1.0
277.21735	50.6
277.50638	0.8
278.22113	3.9
295.22794	100.0
296.23187	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.00468	0.5
53.16304	0.6
59.01382	1.5
62.74871	0.6
67.85241	0.6
71.01369	1.3
71.59660	1.0
80.15623	0.6
84.10226	0.7
113.09725	1.5
115.00345	1.3
133.01451	3.6
135.04524	0.9
171.10265	14.1
172.10583	1.1
183.10278	2.7
195.13896	11.6
277.21735	31.8
278.22104	3.1
283.25104	0.7
285.67502	0.6
295.22775	100.0
296.23132	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	295.0458
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
50.47033	0.5
70.66365	1.0
71.01390	9.5
72.99306	1.6
89.02457	1.7
115.00376	29.0
115.91976	0.5
133.01440	100.0
134.01758	1.3
135.04530	9.0
179.03500	11.6
180.03943	0.6
291.61423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0459
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
69.73048	3.6
71.01387	12.9
72.01703	0.7
72.99329	2.9
81.76079	0.6
86.33931	0.7
87.00882	0.9
87.05508	0.5
89.02476	2.0
98.19916	0.6
115.00388	36.6
133.01445	100.0
134.01779	1.6
135.04547	11.8
179.03511	11.8
186.61626	0.7
186.71945	0.6
260.75739	0.7
317.42169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
57.03445	1.2
57.49730	0.4
59.01391	3.8
61.98827	1.0
68.02549	0.6
69.06689	0.4
69.79762	2.2
71.01382	1.9
71.05022	0.9
73.29122	0.5
79.95741	1.4
86.31680	0.5
95.05028	0.9
96.96001	1.1
113.09704	0.9
121.02978	0.5
121.10233	0.9
133.02957	1.6
134.03737	0.6
136.08951	3.4
151.42480	0.4
159.58626	0.4
167.10815	0.7
177.01886	0.9
177.09230	1.4
179.14445	1.4
181.12300	0.8
192.11551	3.5
193.15990	6.4
195.13908	15.2
196.14525	0.5
205.12331	2.3
211.13445	1.1
218.09558	0.8
220.14702	10.0
221.15462	18.2
221.44655	0.5
222.15839	1.3
223.13400	8.5
224.13974	0.7
228.13681	1.5
233.11757	2.1
235.16978	0.8
236.10550	11.8
245.60594	0.5
249.18556	1.8
256.13251	3.7
265.21716	0.7
275.20166	10.9
276.20535	0.8
283.80679	0.4
293.13998	3.9
293.17865	7.2
293.21213	100.0
294.18280	0.5
294.21552	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
57.69874	0.5
59.01370	0.5
70.17110	1.6
96.95992	0.5
97.06615	1.2
98.19931	0.7
106.39106	0.5
111.01571	0.5
115.54338	0.5
123.08152	0.9
124.56488	0.5
125.09738	3.9
126.10039	0.7
129.83672	0.5
133.36589	0.5
133.73900	0.5
141.12842	1.4
149.09741	1.4
183.13922	2.0
185.11815	9.1
192.11517	0.5
195.13925	0.7
197.11781	1.9
211.13443	0.6
218.59088	0.5
218.61472	0.5
220.14713	1.7
221.15491	4.4
223.13399	1.4
236.10570	2.2
249.22229	0.9
265.21536	0.6
275.20187	1.9
288.00021	0.6
293.21231	100.0
294.21542	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.4
57.03703	1.1
59.01374	2.7
60.16178	1.2
62.04576	1.0
66.62893	1.2
69.47128	10.3
113.09743	13.9
121.10231	17.0
139.11270	1.7
167.10779	1.5
171.10265	36.8
183.10197	1.7
185.11769	2.5
195.13828	1.8
198.84969	1.2
206.69727	1.5
231.21252	2.9
235.16982	1.3
249.22356	2.4
253.14124	1.2
275.20148	41.1
276.20544	3.9
293.21240	100.0
294.21533	7.8
300.85944	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57074	0.6
53.57640	0.5
56.05459	0.6
57.03417	0.9
59.01389	1.0
59.70291	0.6
61.98827	0.8
69.03433	0.8
71.01368	2.1
71.05027	0.7
71.60197	0.8
72.99297	0.9
79.57402	0.6
83.05014	0.8
90.55457	0.7
94.34157	0.6
96.96009	4.5
102.84953	0.6
113.09727	1.5
133.02986	1.0
136.08904	1.3
139.11276	3.1
143.10970	0.6
153.12856	2.2
171.10263	0.7
177.09174	1.1
181.37146	0.6
191.18057	3.9
192.11505	2.1
193.15956	2.4
195.13780	0.8
205.12337	2.2
218.09480	0.7
220.14680	12.4
221.15457	23.7
222.15852	1.6
229.19505	0.7
236.10536	18.3
247.20659	2.5
275.20090	2.5
293.17972	6.5
293.21213	100.0
294.18329	0.9
294.21503	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93025	1.6
59.01366	4.6
64.85185	1.5
71.01376	1.7
71.15793	2.9
74.52265	1.4
81.38369	1.5
84.83282	1.5
105.70330	1.5
121.10246	41.8
122.10548	1.5
125.09722	1.7
127.11332	2.7
129.20775	1.5
171.10286	82.5
172.10562	2.9
183.13927	3.2
185.11807	5.5
186.11859	1.6
231.21138	5.4
233.25209	1.5
240.95068	1.8
275.20154	100.0
276.20578	6.8
293.21240	73.2
294.21671	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
59.01374	5.4
60.75369	0.8
71.01358	1.1
71.05033	4.9
71.60265	1.1
87.04564	1.1
97.06596	1.1
115.68902	0.9
163.71046	0.9
177.16330	1.0
191.18089	1.2
209.15468	1.3
221.15378	4.3
223.17085	6.0
231.21185	3.2
235.17039	47.2
236.10526	1.3
236.17361	3.3
257.19263	0.9
275.20145	43.8
276.20474	5.1
292.18979	0.8
293.08932	8.4
293.21234	100.0
294.21512	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15583	0.7
57.03447	1.2
59.01386	4.5
61.98822	1.9
69.03481	1.3
69.43008	5.7
71.01386	3.0
83.04984	1.0
88.31115	0.6
90.87138	0.6
92.19764	0.6
94.02969	1.3
96.96008	1.4
97.91476	0.7
98.19833	0.7
104.88609	0.7
110.72458	0.6
121.02943	0.8
123.08143	1.0
127.58551	0.6
133.02982	0.8
136.08904	1.5
139.11208	1.0
151.11278	2.0
153.12825	1.0
169.12357	1.8
177.02049	1.0
177.09206	0.8
181.15959	0.9
192.11557	3.0
193.15985	3.6
195.17656	1.6
197.11838	33.3
198.12163	1.3
199.74377	0.6
205.12370	1.8
207.13820	0.8
220.14688	12.9
221.15469	24.9
222.15842	1.2
222.18626	7.7
223.42607	0.7
231.21112	0.8
233.11832	2.6
235.13440	0.7
236.10544	17.9
237.11072	1.3
249.18524	1.5
249.22298	0.7
250.21748	9.2
275.20151	17.6
276.20468	1.4
293.14026	4.2
293.17889	6.5
293.21222	100.0
294.21188	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23350	0.6
59.01388	1.1
70.26131	3.0
87.55977	0.8
113.34909	0.6
144.60509	0.8
179.14427	1.0
181.12350	0.7
195.13907	12.7
196.14542	2.6
205.12341	1.2
205.16202	0.9
211.13451	0.9
223.13409	12.0
224.13959	0.8
228.13712	1.5
231.21295	0.8
236.10707	0.8
256.13126	5.7
265.21741	1.0
275.20187	8.3
293.21249	100.0
294.21558	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	293.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	0.3
71.01385	7.8
71.16255	0.5
85.92640	0.2
92.05056	0.2
97.84821	0.2
122.42564	0.2
127.07655	0.9
129.09422	0.2
148.05283	1.2
149.06097	0.3
151.07693	0.5
159.49451	0.3
162.05624	0.3
164.08456	1.3
166.98198	0.2
177.09227	5.6
178.09541	0.5
190.10001	0.4
192.11580	7.2
193.12181	1.0
196.07431	0.2
205.12331	7.3
205.14279	0.4
206.12755	0.5
207.13927	1.3
217.08766	0.4
218.09447	2.4
220.14688	49.0
221.15453	100.0
222.15808	7.0
235.13322	1.2
236.10535	68.3
237.10905	5.2
253.14517	0.2
293.14154	0.4
293.17609	9.1
293.20914	0.7
294.17886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02651	0.3
61.00333	0.2
79.95736	2.2
95.95232	0.5
96.96016	100.0
133.03090	0.3
133.95903	0.3
139.50244	0.2
216.33174	0.3
220.14621	0.7
221.15436	1.9
236.10538	1.0
249.67996	0.3
293.17938	73.5
294.18262	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.24218	0.6
57.03437	0.7
59.01391	2.8
61.98830	0.5
62.80996	0.6
69.03477	0.6
69.30180	3.8
69.30589	1.0
71.01382	1.6
71.05006	1.0
77.47546	0.5
81.03444	0.7
89.72576	0.6
96.96033	1.9
100.43136	0.6
105.79230	0.5
115.04003	1.9
121.10248	2.9
123.84135	0.6
133.03003	1.2
136.08929	0.5
170.98793	0.5
171.10269	4.3
177.09140	0.6
177.16429	0.5
192.11572	1.4
193.12311	0.5
193.15982	1.4
195.13892	1.3
199.20959	0.5
205.12289	1.3
207.13741	0.6
213.42686	0.6
218.09523	0.6
220.14690	8.6
221.15456	16.4
222.15645	1.1
223.13347	0.7
225.15024	1.1
231.21167	0.6
232.61101	0.6
236.10550	11.0
237.11041	0.6
249.18527	0.6
249.22189	0.6
256.13208	0.5
275.20175	8.1
276.20352	0.6
293.18066	4.3
293.21222	100.0
294.21567	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	292.192
Annotation	NONIVAMIDE
Peak:m/z	Relative Intensity
50.13630	0.4
54.23651	0.4
57.03444	0.6
58.02971	1.3
59.01383	3.7
60.01725	0.5
60.49270	0.4
69.03454	0.7
69.77274	1.6
71.01382	0.6
84.99809	0.4
98.19948	0.5
99.04547	0.5
100.04843	0.4
126.17709	0.4
133.03006	0.5
139.93851	0.4
156.13943	100.0
157.14293	4.5
166.13167	0.8
177.09174	0.4
200.12917	5.1
205.12375	0.4
220.14639	4.1
221.15425	7.3
233.11975	0.4
236.10524	5.7
248.20956	0.6
292.09503	0.9
292.12808	2.9
292.20047	15.8
293.14304	0.8
293.17563	1.6
293.21182	5.9
307.72116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67020	1.2
69.52265	3.0
69.52673	8.2
71.01378	3.1
77.03969	3.6
92.36994	1.3
95.05033	6.2
98.20692	2.3
99.61309	1.3
105.03468	20.5
107.16771	1.3
115.00352	1.9
120.20457	1.3
123.04510	2.0
133.02965	100.0
134.03305	4.4
137.17712	1.4
177.01942	36.1
241.71536	1.4
283.22107	1.4
296.84268	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85739	0.8
71.01379	4.1
71.11523	1.5
77.03979	2.7
77.50912	0.8
95.05029	5.6
100.53391	0.8
105.03474	18.5
115.00346	1.5
123.04481	2.0
133.02963	100.0
133.54782	1.0
134.03308	2.5
151.04128	0.9
162.02846	0.7
177.01952	31.5
177.03510	1.6
208.39584	1.0
221.34579	0.9
249.92218	0.8
275.09244	1.6
292.04367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0859
Annotation	Triadimefon
Peak:m/z	Relative Intensity
52.43211	0.6
59.01365	3.0
61.98839	0.7
68.02541	100.0
69.02893	1.0
69.03450	0.8
69.90376	2.7
71.01388	1.1
103.66830	0.6
126.99545	2.1
129.57529	0.6
132.27530	0.6
133.03014	0.7
152.08301	1.6
156.13994	0.8
192.11687	0.9
195.13898	0.7
220.14700	3.8
221.15460	8.2
236.10503	5.9
242.99577	0.6
263.20071	0.9
264.20462	5.5
274.19147	1.4
291.19656	1.8
292.09445	0.7
292.12964	3.1
292.20013	25.4
293.13983	1.2
293.17612	1.7
293.21042	3.0
298.70645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66960	0.3
58.02980	0.6
59.01380	2.3
65.23848	0.3
68.02548	0.7
68.58871	0.3
70.01535	1.4
71.01383	1.1
98.40722	0.3
99.04504	0.3
109.80457	0.3
111.08183	0.3
119.31311	0.4
133.02965	0.4
137.97578	0.3
149.15877	0.3
156.13947	100.0
157.14314	3.6
177.01921	0.6
177.09186	0.7
192.11519	0.5
200.12930	6.7
201.13301	0.4
205.12341	0.6
220.14697	3.9
221.13289	0.4
221.15492	7.1
223.86668	0.3
236.10539	6.3
252.88283	0.3
275.20181	0.6
292.12796	1.8
292.20010	9.7
293.14352	0.4
293.17633	1.0
293.21167	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	291.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77914	0.7
52.12463	0.6
57.03434	2.5
58.00599	8.0
59.01387	6.6
61.23043	0.6
68.66305	0.7
69.03441	3.3
71.01371	3.5
71.05023	1.2
71.59521	1.4
73.02951	32.6
77.64635	0.7
83.05025	2.9
83.18200	0.6
84.02174	9.8
85.02936	2.6
95.05009	2.0
97.06565	3.2
99.04525	2.0
107.05000	1.3
109.06564	1.8
110.60096	0.7
111.04505	1.6
111.08172	3.4
113.06081	1.9
113.09708	0.9
121.02927	1.1
121.06683	0.9
123.08109	0.7
125.06084	4.6
125.09722	1.3
127.07659	1.5
127.11306	1.4
135.08223	0.7
137.06111	1.3
139.07698	4.9
139.11281	1.2
140.43636	0.7
141.12801	1.0
147.08180	0.7
153.12830	1.8
155.14406	1.6
156.37428	0.8
163.11340	0.7
167.14355	0.8
205.19591	1.4
233.22586	0.9
247.20802	0.9
255.21223	4.4
261.22241	4.8
263.23849	10.1
273.19034	1.0
273.22226	25.3
274.22580	1.5
281.92908	0.8
291.12509	8.7
291.19742	13.3
291.23267	100.0
292.20053	2.1
292.23605	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	291.2331
Annotation	Androstan-3alpha,17beta-diol
Peak:m/z	Relative Intensity
50.77914	0.7
52.12463	0.6
57.03434	2.5
58.00599	8.0
59.01387	6.6
61.23043	0.6
68.66305	0.7
69.03441	3.3
71.01371	3.5
71.05023	1.2
71.59521	1.4
73.02951	32.6
77.64635	0.7
83.05025	2.9
83.18200	0.6
84.02174	9.8
85.02936	2.6
95.05009	2.0
97.06565	3.2
99.04525	2.0
107.05000	1.3
109.06564	1.8
110.60096	0.7
111.04505	1.6
111.08172	3.4
113.06081	1.9
113.09708	0.9
121.02927	1.1
121.06683	0.9
123.08109	0.7
125.06084	4.6
125.09722	1.3
127.07659	1.5
127.11306	1.4
135.08223	0.7
137.06111	1.3
139.07698	4.9
139.11281	1.2
140.43636	0.7
141.12801	1.0
147.08180	0.7
153.12830	1.8
155.14406	1.6
156.37428	0.8
163.11340	0.7
167.14355	0.8
205.19591	1.4
233.22586	0.9
247.20802	0.9
255.21223	4.4
261.22241	4.8
263.23849	10.1
273.19034	1.0
273.22226	25.3
274.22580	1.5
281.92908	0.8
291.12509	8.7
291.19742	13.3
291.23267	100.0
292.20053	2.1
292.23605	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41463	0.6
57.03450	2.1
69.20770	0.7
69.48774	1.1
69.49183	3.7
71.65204	0.6
83.05026	0.8
93.07093	1.9
97.06580	2.6
121.10242	17.1
123.08177	1.6
125.09734	9.1
130.40242	0.6
130.92117	0.6
141.12856	0.9
147.08151	1.2
154.07294	0.6
163.11227	0.8
185.11833	19.8
186.12244	1.0
197.11833	4.7
198.12315	0.9
209.11864	1.6
211.13417	2.9
223.13367	0.6
237.98521	0.6
238.80090	0.6
247.13377	0.8
247.20551	1.7
248.35237	0.6
273.18570	2.0
274.56302	0.6
291.19672	100.0
292.20038	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	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.01571	0.3
57.03464	0.3
59.01384	4.3
61.98830	0.3
63.23885	0.3
69.03462	1.6
71.31617	0.6
73.02950	61.1
74.03290	0.5
84.25354	0.4
99.04539	1.8
111.04517	0.9
131.65984	0.4
137.06081	0.7
144.32001	0.3
149.06126	0.5
161.06187	0.4
209.04654	0.3
217.39661	0.4
245.40146	0.4
291.12759	5.7
291.19659	100.0
292.12906	0.6
292.19992	8.4
292.23221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
59.01376	3.5
67.09232	0.5
69.59980	4.0
83.05037	0.8
92.02310	0.6
93.03426	0.6
94.94468	0.5
95.05035	1.1
98.19943	1.2
99.34253	0.5
109.06640	0.6
111.08161	14.4
112.08574	0.5
114.61586	0.5
135.11781	0.5
137.09706	1.3
151.49588	0.5
164.49086	0.7
167.10777	3.1
167.87549	0.5
177.12900	2.0
178.23918	0.6
179.10767	2.4
195.13919	7.7
195.18878	0.5
247.20638	3.6
273.18561	1.6
291.19672	100.0
292.19989	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	291.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	0.4
54.76958	0.2
57.03452	1.5
59.01384	10.1
62.66220	0.3
68.02196	0.3
69.03457	3.5
70.91676	0.5
71.01388	100.0
71.05016	0.4
72.01724	1.5
83.01405	0.5
89.37099	0.4
91.85760	0.3
99.04513	3.4
107.05046	0.4
111.04549	2.1
113.09731	0.3
114.81071	0.3
118.86291	0.3
121.02953	5.1
133.06544	0.6
137.06096	1.7
143.10805	0.7
149.06079	0.8
161.06172	0.3
165.01933	0.4
215.07242	0.3
219.06659	1.0
231.10245	1.3
249.11380	0.5
273.14801	0.4
291.09097	0.8
291.12384	15.4
291.19440	1.9
292.12692	0.9
296.88861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.03443	0.5
58.00586	0.3
59.01382	5.8
69.03455	2.1
70.39779	0.7
71.01373	0.2
73.02959	1.2
74.13878	0.3
76.85803	0.3
80.02701	0.3
83.76909	0.2
95.05033	0.4
97.06586	0.9
99.04529	1.8
106.04229	0.2
111.04507	1.0
119.05032	0.6
121.02859	0.3
125.06055	0.6
127.11295	0.3
137.06079	0.7
148.08923	1.2
149.09723	0.4
150.10493	0.8
151.11212	0.5
155.05421	0.3
162.03844	5.3
163.11278	1.1
165.12849	21.3
166.13181	1.0
175.11284	0.6
176.12013	0.6
177.12889	0.5
179.14494	0.3
189.09270	0.3
191.14471	0.5
213.79692	0.3
217.15906	0.4
231.10324	0.4
245.19080	0.8
247.20692	10.0
248.21014	1.1
263.20209	0.6
273.18597	6.2
273.21597	0.4
274.18930	0.6
291.12708	7.1
291.19662	100.0
292.12872	0.6
292.19998	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	289.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.4
61.98833	1.0
65.03963	0.5
65.46190	0.5
69.69376	0.4
70.43481	0.9
70.43866	0.9
72.00397	2.2
73.98305	0.8
77.67203	0.5
99.92609	0.6
110.67905	0.5
116.05053	1.9
118.06652	4.1
119.08662	1.6
125.24577	0.5
131.05016	0.5
135.04584	0.7
138.02579	6.5
141.04950	1.1
145.06602	1.8
145.07707	18.5
146.07932	0.7
147.04523	2.1
152.54631	0.5
153.04958	1.7
160.08940	9.9
161.09343	0.7
189.06667	1.7
189.16559	1.4
197.10840	0.9
215.14461	0.7
224.79875	0.6
227.89012	0.5
230.08946	0.5
233.15465	60.2
234.15813	4.0
245.00447	0.6
245.11267	1.0
245.19089	1.1
260.16605	0.5
271.17123	1.6
289.10535	1.8
289.18094	100.0
290.18420	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	291.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01381	2.8
69.03451	1.0
70.91068	0.5
71.01390	2.4
77.70043	0.2
80.96498	0.2
88.25935	0.2
92.05052	2.0
96.95998	0.2
99.04529	1.0
101.67355	0.2
102.03531	0.5
111.04527	0.5
115.00376	0.8
120.04560	1.0
121.03008	0.3
131.06165	0.8
132.04549	0.4
135.04497	0.3
137.06039	0.4
146.02483	0.7
148.04053	4.0
156.03299	0.9
160.04066	0.4
172.02798	0.6
173.03520	0.5
174.04358	0.9
175.05133	100.0
176.05521	3.6
185.03581	2.2
187.05127	1.7
201.03076	2.4
201.06725	0.7
203.04605	0.9
211.05095	1.6
229.06171	6.7
230.06477	0.3
231.04137	1.5
231.10283	0.4
255.04099	4.3
273.05176	6.3
273.07474	0.2
274.05484	0.3
283.09726	0.2
291.06216	2.5
291.08951	0.4
291.12387	3.9
291.19473	0.3
292.06735	0.2
292.12595	0.3
299.63287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.7
61.98821	0.9
70.31127	1.4
71.72323	0.3
78.69555	0.4
98.13942	0.4
116.05070	100.0
117.05404	3.1
119.08668	0.6
121.08418	0.3
254.08521	4.5
255.09262	17.0
256.09784	1.8
257.10852	41.4
258.11212	3.3
289.13480	24.3
289.18213	2.3
290.13754	2.5
300.75269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
64.66130	0.6
71.05033	2.0
79.05564	0.7
79.95742	0.6
85.60939	0.6
93.07134	1.0
95.05042	0.9
97.06605	2.0
97.22901	0.6
119.08675	100.0
120.09007	3.1
123.08171	1.3
125.09740	12.5
125.10622	1.4
130.59070	0.6
183.69977	0.8
194.87973	0.8
213.09236	1.7
233.15430	4.7
245.19173	3.1
247.17033	2.7
271.17056	5.3
289.18100	68.7
290.18402	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	288.9969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19100	0.4
57.97553	0.6
58.37164	0.4
59.01369	0.7
61.98835	2.4
62.62684	0.4
70.25223	0.7
70.25616	0.8
71.00992	0.8
71.01389	15.6
72.99316	5.2
73.02955	6.7
78.95916	1.7
86.66369	0.3
86.97002	0.5
87.00887	4.1
88.04061	0.5
89.02439	2.0
94.92516	0.8
98.19971	0.5
99.00881	1.2
102.05659	0.4
105.01947	0.5
115.00382	44.5
116.00725	0.6
116.07108	0.4
117.01946	12.2
126.98940	0.5
127.00100	0.5
128.03586	0.7
132.03064	1.0
133.01443	100.0
134.01749	2.0
135.04480	0.8
136.98633	0.5
139.00125	1.8
142.45143	0.4
142.96605	1.2
145.06091	0.5
146.04608	1.2
148.94958	0.7
149.04616	0.5
151.00143	0.5
160.97694	0.5
172.97696	10.7
172.99269	1.0
179.03569	0.5
184.92088	0.9
184.97697	1.7
186.97305	1.9
202.98759	2.7
213.00095	1.2
213.09239	0.7
214.93181	0.5
214.98708	0.6
215.00496	0.7
228.96674	6.0
228.98483	1.2
289.01810	0.8
289.06595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78078	0.5
63.90794	0.5
70.05963	2.2
70.06345	1.1
71.01389	11.8
72.99309	5.6
78.95916	5.1
87.00880	4.0
88.04047	1.0
89.02444	1.9
96.96035	0.9
96.96974	0.8
102.05623	2.3
105.01972	1.3
114.98939	1.7
115.00378	38.9
126.98879	1.1
128.03542	1.2
128.98688	0.6
132.03041	1.4
133.01442	100.0
134.01773	3.6
136.98546	1.3
142.96672	2.2
146.04599	5.3
148.95030	1.1
154.99620	1.2
160.97736	1.2
172.99393	1.3
173.00975	0.8
174.99242	0.7
184.92059	1.4
184.97690	4.3
186.97371	4.7
202.91956	1.1
202.98732	5.6
213.00159	1.2
215.00444	1.1
226.98798	0.7
228.98289	3.1
289.01837	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	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
53.86722	0.3
59.01374	1.0
59.43623	0.3
61.98825	0.4
62.42070	0.4
64.61014	0.4
70.34357	1.0
70.34740	0.7
71.18034	0.3
76.49277	0.3
79.74397	0.3
81.03452	1.3
92.05077	1.2
93.03471	1.8
99.92568	0.5
105.69415	0.4
107.03799	0.5
108.04560	5.8
109.02978	4.5
115.92070	0.7
121.02935	0.7
134.02490	38.4
135.03308	8.4
136.04053	38.6
137.02519	2.1
137.04425	0.9
148.04037	1.1
149.04826	0.9
176.03535	4.4
177.04262	0.5
190.05002	0.5
197.24365	0.4
204.06799	0.5
245.19063	0.4
288.16071	100.0
289.16193	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	288.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97010	0.4
55.01886	2.2
57.03445	0.8
59.01378	1.8
67.01888	1.0
68.99461	0.8
68.99817	11.1
69.03464	4.7
70.22272	1.7
71.01385	5.2
72.99323	2.2
73.02955	2.0
75.00882	0.8
81.03448	0.4
83.01394	22.8
83.20448	0.4
85.02948	2.6
87.00890	4.3
95.01416	1.3
97.02957	3.2
99.00889	5.6
101.02448	10.6
109.02970	1.2
111.00888	24.1
112.01203	0.6
113.02454	3.9
116.05072	100.0
117.05402	3.6
128.05045	1.3
129.01051	0.4
129.01929	2.2
130.06631	1.7
131.03514	1.1
141.01952	15.8
142.05553	0.7
142.06638	9.1
144.04588	0.8
146.06122	1.1
154.06619	0.9
156.08136	1.3
157.05345	0.9
158.06139	6.2
159.03017	2.2
166.06731	0.4
170.06042	2.0
172.07719	0.9
182.06029	1.2
184.07689	1.6
186.05615	6.5
188.07170	6.7
189.07510	0.6
196.07666	3.1
198.09296	0.4
200.07162	1.3
204.06660	11.5
208.07671	0.6
210.05553	1.6
212.07176	0.7
226.08675	1.6
228.06754	3.1
230.08224	9.3
231.08501	0.8
236.06668	0.4
242.08180	0.5
244.09837	1.6
258.07642	0.9
260.09241	1.3
270.07809	2.5
288.08792	16.0
289.09052	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
57.03452	0.6
58.00585	0.6
59.01378	2.3
59.29827	0.3
67.01895	1.0
68.99821	11.3
69.03460	5.3
71.01393	6.0
72.99328	1.9
73.02944	2.7
75.00893	0.8
83.01392	24.8
84.01763	0.4
85.02962	2.1
86.08617	0.4
87.00893	4.5
87.73999	0.4
95.01405	1.5
97.02942	3.9
99.00887	6.1
101.02448	11.1
102.02793	0.5
108.02213	0.8
109.02960	1.4
111.00884	27.3
112.01232	0.5
113.02445	4.5
116.05068	100.0
117.05402	3.6
123.00859	0.7
128.05069	1.5
129.01970	2.4
130.06657	2.3
131.03542	1.1
132.04565	0.5
141.01945	15.6
142.05553	0.9
142.06630	11.6
143.03482	0.5
143.06902	0.6
144.04565	1.0
146.06081	0.8
154.06630	1.1
156.08168	1.3
157.05377	0.5
158.06116	6.6
159.03001	3.0
166.06653	0.6
168.08199	0.6
170.06160	1.9
172.07692	1.3
180.08163	0.6
182.06081	0.8
184.07683	1.5
186.05618	7.1
188.07173	6.4
196.07645	2.9
198.05455	0.5
198.09142	0.7
200.07140	0.9
204.06650	12.6
205.07069	0.6
210.05617	1.5
212.07271	0.6
216.06598	0.5
226.08714	2.0
228.06709	3.9
229.63054	0.4
230.08209	10.2
231.08438	0.4
242.08307	0.5
244.09750	1.5
258.07608	0.6
260.09305	1.2
270.07730	2.3
288.08783	17.9
289.09155	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1654
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
57.03440	1.1
59.01386	5.4
61.98862	1.1
63.75577	0.9
71.01378	1.0
71.60677	1.1
79.95926	0.9
97.06580	1.8
99.92581	4.3
102.04769	4.3
104.26864	1.0
109.62534	0.9
115.05527	6.6
115.92070	2.0
116.92873	2.6
117.07114	99.0
118.07443	3.2
119.08730	1.0
121.06593	2.3
123.08124	1.9
125.03037	2.6
125.09729	10.7
140.05426	2.7
143.04999	2.1
147.08235	2.4
154.39047	1.1
160.08968	2.0
171.08218	1.1
186.10484	1.2
187.14938	1.6
215.14401	1.1
231.13951	6.0
243.17647	1.5
269.15222	1.1
280.23962	0.9
287.16541	100.0
288.16885	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	288.0767
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
57.02523	0.4
59.01377	7.9
63.77711	0.4
71.27357	0.6
71.27695	0.7
72.99300	0.4
74.00616	0.5
74.02468	1.0
78.12498	0.4
88.04039	0.8
90.97182	1.0
99.05618	0.6
100.45143	0.5
113.91633	0.4
117.90153	0.5
130.08746	100.0
131.09084	1.9
132.98241	0.8
141.98221	1.0
142.96675	1.0
151.76996	0.4
160.97697	1.8
163.18436	0.5
174.99228	1.0
184.97716	1.9
187.98817	1.0
202.98795	2.4
208.46478	0.4
234.99229	1.0
244.05003	2.2
244.13028	0.7
246.06577	2.7
248.97318	0.6
272.04276	0.4
288.07669	59.2
289.00388	1.5
289.08038	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	287.1503
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
53.88339	0.5
57.03445	1.2
57.97552	1.6
59.01098	0.9
59.01383	14.6
62.96410	1.5
69.03457	1.4
69.89996	1.6
69.90401	0.9
71.01389	15.4
71.05029	3.5
73.02954	10.7
73.06570	0.6
74.02508	0.6
78.95920	2.8
81.03465	1.6
83.05030	3.9
85.02943	1.0
97.02944	3.9
99.04519	1.7
101.06091	2.3
106.54771	0.5
109.06633	0.7
111.04550	0.5
113.02443	0.6
113.66454	0.6
115.04006	4.0
123.08170	5.7
125.00129	0.8
125.02418	0.7
125.09724	1.2
127.04006	0.8
135.08090	0.9
137.09740	0.7
141.09241	15.4
142.09521	1.0
145.05081	7.8
153.01913	0.5
153.09216	1.1
160.00740	2.0
169.08707	1.7
170.57538	0.5
189.12840	1.5
197.11848	1.5
207.13918	7.9
208.14285	0.5
209.11778	1.5
223.13373	0.8
225.14967	5.0
233.11850	1.0
243.07874	2.3
243.16002	0.7
251.12857	3.7
269.13943	19.3
270.14304	1.0
287.10001	3.4
287.15012	100.0
288.15289	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	286.239
Annotation	Prosopinine
Peak:m/z	Relative Intensity
54.23382	0.3
57.97578	0.4
59.01358	0.6
60.12339	0.3
70.02972	1.2
70.66663	1.0
74.06130	1.5
74.22470	0.3
78.95898	0.3
81.37101	0.3
98.02499	0.4
99.92575	0.5
110.00111	0.4
116.05040	0.5
117.07114	1.8
118.05115	1.1
133.89461	0.3
240.23372	3.1
242.21262	1.8
268.22827	1.1
284.22171	0.6
286.04440	0.7
286.23883	100.0
287.02057	0.3
287.16547	2.4
287.24231	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0925
Annotation	2,3-Dimethoxy-4,6,7-trihydroxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
57.97552	1.2
59.01373	0.5
69.40514	2.5
71.01374	0.3
72.30353	0.3
99.92609	0.7
116.05066	0.9
117.02942	0.3
148.07637	0.4
158.04024	0.3
161.02441	0.8
171.04539	0.3
172.05273	0.4
173.06068	0.7
175.04018	0.6
184.92934	0.3
185.06081	1.3
186.06868	0.5
187.04022	0.4
188.04753	0.3
189.05577	1.5
196.05333	0.5
197.06105	1.7
198.06841	0.5
199.03943	0.3
199.07623	3.8
200.08437	1.6
203.07076	1.5
209.06140	0.3
212.04814	1.0
213.05534	0.6
215.03491	1.0
218.05797	0.3
227.03545	2.6
227.07100	3.5
228.07828	0.8
229.05116	1.4
230.05815	0.8
231.06552	0.9
232.07486	0.6
237.05516	0.4
240.04276	8.5
241.05031	5.9
243.02956	1.3
243.06665	0.7
255.06627	16.6
256.07040	0.8
257.04565	1.1
257.08258	1.1
258.05347	3.0
258.07849	0.4
259.05856	0.6
259.09708	0.4
262.04758	0.6
272.03326	0.7
272.06912	0.7
287.09250	100.0
288.09561	8.2
304.05975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62245	0.4
58.02974	6.3
59.01380	1.4
66.03503	0.8
68.13850	0.4
71.05061	0.6
79.95752	0.7
80.05068	0.6
80.05565	0.5
82.06628	1.7
84.08183	0.6
88.05855	0.5
97.06561	1.1
97.07196	0.5
104.73915	0.5
114.09269	0.9
126.09238	1.7
129.10321	2.5
130.08745	100.0
131.09079	2.7
133.02965	1.1
143.11885	0.6
149.09666	0.5
153.10368	0.5
154.08751	14.0
155.32066	0.6
167.10779	4.6
171.11366	0.7
182.15495	1.9
184.12228	0.8
199.18167	65.6
200.18526	3.2
211.13449	3.2
229.61212	0.5
241.19240	7.0
243.17181	4.4
285.04074	5.8
285.18213	83.0
286.04422	0.8
286.18570	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	285.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12186	0.5
59.01382	11.7
64.83264	0.5
67.69251	0.5
70.79275	1.1
70.79620	0.9
71.01384	1.3
79.28711	0.5
79.95724	0.8
89.02439	0.9
91.04003	1.9
93.07072	0.7
96.96024	1.6
97.06577	0.6
106.04250	1.8
106.47768	0.5
121.02959	0.6
126.75851	0.6
147.08176	7.4
149.09734	19.4
150.10066	1.0
158.68140	0.5
167.10780	100.0
168.11133	4.2
175.07753	0.9
179.03487	0.7
181.12321	1.9
193.08698	12.7
194.09015	0.6
211.09773	10.8
211.13271	4.4
214.03340	0.6
221.48286	0.6
241.85695	0.6
242.02855	2.4
272.45776	0.5
285.04257	6.7
285.07364	0.9
285.08203	1.2
285.13461	27.0
285.16638	0.9
285.27139	2.7
286.01779	1.5
286.04590	0.7
286.13712	1.6
291.91217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97567	0.9
58.02981	7.4
59.01384	7.1
63.02403	0.7
71.01370	1.4
71.14539	1.6
75.14243	0.6
83.01388	0.9
93.03467	3.9
96.57807	0.8
96.95961	0.8
97.06578	1.0
107.01398	2.7
110.97394	0.7
114.09235	0.9
117.03454	2.2
125.09726	1.8
126.09248	2.1
129.10306	1.2
130.08742	100.0
131.05098	1.2
131.09087	3.4
135.00925	1.5
143.05031	2.8
143.11922	0.9
151.00365	0.9
154.04320	0.8
154.08739	15.0
156.05862	0.9
157.06564	2.2
159.04558	3.9
163.00371	2.2
163.73579	0.6
167.05002	1.1
168.08987	0.9
169.06581	1.5
170.12109	0.8
171.04520	1.4
173.06055	0.8
179.03476	1.1
181.12350	8.6
182.15504	1.8
183.04498	1.6
184.05228	0.8
184.12190	0.7
185.06093	4.0
187.04047	5.4
189.05554	1.1
192.00641	0.7
195.04544	0.8
197.06104	1.0
197.16612	0.8
199.03928	1.7
199.18161	89.8
200.18422	3.6
211.04042	3.7
211.13368	2.6
212.04436	0.8
213.05597	2.6
225.11270	6.4
227.03484	4.6
228.03795	3.8
229.05078	14.4
230.05470	1.2
239.03551	2.0
240.04198	1.2
241.05080	1.8
241.19218	9.2
243.17198	4.1
255.02950	1.6
256.03384	6.8
257.04617	5.4
267.02957	1.3
285.04037	74.0
285.18201	98.9
285.26785	1.8
286.04388	6.8
286.18546	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	285.1345
Annotation	Tensyuic acid E
Peak:m/z	Relative Intensity
58.02982	0.8
59.01383	68.3
59.62962	0.8
69.54800	2.3
69.55212	2.2
71.01379	2.6
71.61057	0.7
73.02957	7.6
76.20011	0.7
79.95733	1.0
81.45322	0.7
83.05057	0.8
85.06080	0.7
85.19542	0.7
93.03458	1.7
96.69313	0.7
96.96003	1.2
107.97279	0.7
113.12705	0.7
125.09728	14.9
130.08745	7.3
135.04538	1.0
151.11310	1.1
154.08678	0.8
163.11256	5.0
179.03458	1.0
179.10767	1.4
181.12355	100.0
182.12639	3.6
197.11816	3.0
199.13547	0.7
199.18184	6.4
211.13466	1.6
223.13229	1.6
225.11339	62.8
226.11694	3.0
229.59245	0.8
241.14519	0.9
243.12393	7.8
247.03665	0.7
252.06821	0.7
285.04276	4.9
285.08301	1.7
285.13477	31.4
285.18222	6.5
285.27103	2.4
286.13748	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	282.0845
Annotation	Guanosine
Peak:m/z	Relative Intensity
66.00991	0.6
70.44340	0.9
82.04111	1.0
98.20616	0.2
107.03629	4.3
108.02045	9.2
126.02187	0.3
126.03104	5.1
130.08788	0.3
133.01572	30.5
134.01883	0.7
150.04221	100.0
151.02573	0.5
151.04692	2.0
260.17877	0.2
260.62985	0.3
282.08444	29.0
283.08728	1.2
283.26413	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93756	0.7
53.00323	0.8
56.12744	0.6
56.13141	0.6
59.01374	2.1
61.98825	1.4
66.03494	3.4
68.99831	1.5
71.01382	5.7
71.59383	0.7
71.59745	0.7
75.00864	2.0
80.05061	0.9
83.50960	0.7
87.00892	0.9
92.05084	2.4
93.03484	0.8
94.02976	0.8
101.02439	0.8
104.05112	1.0
105.05810	1.5
106.06645	13.1
115.00378	0.9
118.06573	0.7
120.04575	5.7
120.05340	1.1
120.08206	21.6
122.06117	2.7
122.06973	0.8
130.06616	0.8
132.08224	5.2
136.07722	3.9
142.06667	0.7
147.20161	0.7
148.07697	34.2
149.08032	1.0
150.09212	1.2
160.07700	6.3
162.05612	1.5
164.04350	0.9
164.07182	29.2
165.07471	1.4
165.29256	0.6
167.03468	0.8
176.07147	0.8
178.08740	2.4
204.06671	1.7
222.07719	51.0
223.08055	1.9
224.71353	0.7
282.09842	100.0
283.10236	6.1
283.26453	33.0
287.43719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
70.93328	0.7
72.77489	0.4
90.52560	0.4
93.95158	0.4
100.84638	0.4
106.04283	0.6
107.05033	100.0
107.62749	0.4
108.05340	2.7
123.04495	0.6
161.08394	0.4
163.11290	96.8
164.11638	3.8
237.28056	0.4
283.17038	84.8
283.26398	29.3
284.17416	6.4
284.26730	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1347
Annotation	Tensyuic acid E
Peak:m/z	Relative Intensity
50.46112	0.4
57.03456	2.3
58.00598	0.8
59.01381	19.2
63.02408	0.6
65.00325	0.6
67.01910	0.4
69.03465	0.8
69.39396	2.0
69.39834	1.9
71.01388	15.2
71.05022	7.2
73.02955	13.6
73.06619	0.5
74.47507	0.4
79.01860	0.5
81.03468	1.4
83.01404	1.6
83.05030	4.4
85.02959	1.1
87.04524	0.9
89.81568	0.4
93.03461	3.0
93.07139	0.5
95.01398	0.5
96.95998	0.5
97.02966	5.2
98.19872	0.7
99.00894	0.8
99.04501	2.5
101.06094	10.5
107.01410	1.4
107.08669	1.0
108.02164	0.9
109.02930	1.3
115.04021	5.3
117.03490	2.4
123.00888	0.8
123.04563	0.9
123.08169	2.6
125.98387	0.4
127.04019	1.4
130.04251	0.6
131.04997	0.8
133.02988	1.2
137.02441	0.7
139.07680	1.4
139.55675	0.4
141.07098	0.8
142.06618	1.9
143.05008	2.2
145.03011	1.1
145.05074	12.9
145.06346	0.7
151.00415	1.0
151.11359	0.6
154.04234	2.8
155.05005	1.3
157.06549	1.0
159.04501	2.7
161.02443	1.5
161.13371	1.3
163.00412	0.9
165.01993	1.2
167.05025	1.3
168.05827	0.7
169.06596	5.5
171.04521	1.8
173.02478	2.0
177.12904	0.8
179.14418	0.7
183.04506	1.8
184.05217	1.0
185.06125	4.0
186.05682	0.6
187.04018	3.3
189.05624	1.9
195.04558	1.1
198.03172	0.7
199.04050	1.1
201.05627	1.0
205.12337	1.9
211.03999	2.2
211.13351	1.2
212.04703	0.8
213.05586	4.1
214.02753	2.5
215.03503	1.5
223.13411	8.1
227.03532	0.7
228.03842	0.8
229.05167	2.8
239.03540	1.4
239.12804	0.6
240.04282	0.6
241.05148	1.1
241.14465	24.0
242.14824	1.5
243.02965	3.3
255.02939	0.8
256.03421	1.2
257.04639	3.1
267.02856	0.7
267.12329	4.2
285.04065	100.0
285.13428	49.6
285.27100	1.2
286.04419	6.9
286.07300	0.7
286.13693	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.176
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03444	5.7
57.19881	1.2
59.01382	14.1
61.98821	3.2
65.05600	1.3
69.03450	2.2
71.01395	2.8
71.49350	1.6
80.02705	1.4
83.05014	2.2
95.05019	2.3
95.08162	1.2
97.06593	16.7
109.06591	4.4
111.08163	8.1
111.91500	1.4
116.92868	3.0
123.08171	12.3
125.06100	3.3
125.09731	24.2
127.11287	6.1
137.09714	2.9
139.07660	1.9
139.11237	1.7
141.09224	4.5
149.09572	1.5
151.07629	3.0
151.11298	2.0
153.09219	10.6
155.09552	2.6
155.10788	41.3
156.11203	2.2
157.08699	1.8
165.09178	5.6
165.12848	3.5
171.10272	2.3
183.10284	11.6
183.13855	4.4
198.08948	1.9
199.09760	2.8
200.10529	2.6
209.19086	2.6
217.15849	1.7
219.17552	40.1
220.17824	3.2
237.18561	15.0
245.15448	4.7
253.17848	1.7
263.16531	38.6
264.16922	2.8
278.80869	1.5
281.14291	3.7
281.17578	100.0
281.24838	6.0
282.18024	7.1
303.23993	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.30073	1.3
55.87806	1.3
57.03455	7.2
58.72636	1.5
59.01382	15.1
66.81870	1.3
69.03450	3.3
70.15195	2.6
71.01380	2.0
71.05025	7.5
76.73337	1.2
81.03416	1.7
83.05025	5.9
85.78127	1.7
93.03436	1.8
95.05026	15.4
97.06596	63.1
107.05027	11.8
109.06596	2.1
111.04539	1.5
111.08159	3.2
113.09725	9.0
116.05030	1.5
121.06473	1.6
121.10249	16.2
123.08109	1.6
125.09784	1.5
139.07616	3.8
141.05531	3.1
143.07104	5.9
147.08145	6.0
157.08731	16.9
165.09227	3.9
165.12869	4.7
169.08723	3.9
179.14398	3.1
181.08714	3.1
183.10251	3.0
199.13403	3.3
205.12332	5.6
209.11813	5.2
210.12581	1.3
219.17480	5.8
223.13391	91.0
224.13670	3.9
237.14911	2.8
245.15485	3.2
263.16510	100.0
264.16846	5.8
281.14154	4.9
281.17563	82.4
281.24832	6.3
282.17914	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	281.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
57.05749	0.6
58.04823	0.7
59.01383	10.1
66.03482	0.7
66.18404	0.6
69.03460	1.1
69.82575	4.0
73.02934	0.9
83.05026	1.4
88.58375	0.7
95.05015	2.1
96.81775	0.6
97.02974	0.8
97.06607	4.1
98.03776	1.6
101.22211	0.7
101.64426	0.6
102.42220	0.7
109.06590	0.7
111.08166	2.5
113.09730	5.8
115.07628	1.5
116.92884	0.7
125.06104	0.7
126.06862	1.2
127.07645	1.7
127.11323	0.9
135.08156	1.2
137.09741	6.2
139.07643	2.5
139.11322	4.3
141.09213	9.6
143.07195	1.1
143.10812	0.8
147.08159	0.7
151.11281	1.3
153.09206	4.3
155.10764	2.3
165.09155	3.0
165.12854	14.1
167.10754	2.5
169.08644	1.0
183.10350	4.0
191.14406	2.6
193.12305	0.9
199.37971	0.7
203.52322	0.6
209.19106	1.2
212.10568	2.3
213.73741	0.7
217.15877	1.1
219.15573	1.3
219.17560	14.8
220.17813	1.1
227.35252	0.8
235.16953	1.0
237.18668	6.3
238.18987	0.8
245.15424	2.3
253.18068	2.0
263.16519	36.4
264.16895	3.2
281.17578	100.0
281.24734	3.1
282.17993	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	281.1759
Annotation	Fumagillol
Peak:m/z	Relative Intensity
52.90260	0.8
53.16586	0.9
53.45274	0.9
57.03436	3.6
59.01148	0.9
59.01390	13.4
61.98841	0.9
67.01893	8.3
69.03452	2.4
69.34317	8.9
71.04989	1.2
83.05012	4.7
85.02943	1.3
85.06595	1.4
95.05050	5.2
97.02982	1.6
97.06599	31.6
98.20609	2.2
109.06588	1.7
111.08163	3.6
113.09747	1.4
116.05044	1.2
121.10232	10.1
123.08299	1.0
137.09729	2.4
139.07652	1.7
139.11328	5.5
141.05603	1.9
143.07150	5.5
147.08130	3.5
155.10783	2.3
157.08714	6.2
165.09193	4.3
167.10704	1.8
169.08705	3.9
175.11320	1.1
181.08670	1.0
183.10269	100.0
184.10565	3.9
193.12303	1.6
205.12346	1.3
212.06821	0.9
219.17537	4.0
263.16519	78.6
264.16837	5.0
281.10590	0.9
281.14197	2.2
281.17511	12.1
281.24973	5.0
282.17944	1.5
288.62854	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94774	1.3
57.03438	5.9
59.01382	22.2
59.78700	1.2
60.52856	1.3
67.01890	3.9
69.03467	16.5
70.75246	1.2
71.01395	1.9
71.05021	2.1
77.13717	1.3
81.03471	2.9
83.05045	8.7
84.02157	3.0
85.02969	2.1
88.58828	1.3
93.03434	2.0
95.05029	8.0
97.02325	2.9
97.02954	50.5
97.06601	26.7
98.19923	4.3
99.08150	2.7
106.04250	1.6
107.05083	1.5
109.06584	4.6
111.08186	3.1
113.09734	2.2
119.08653	4.9
121.10229	5.1
123.08134	4.1
125.06107	4.2
125.09733	3.8
126.40581	1.4
127.07669	2.4
133.06569	2.5
135.08165	11.9
137.09726	21.4
139.07643	2.1
139.11252	1.5
143.07146	21.6
147.08195	2.8
148.08881	1.6
148.51859	1.4
149.09721	4.1
151.07433	1.4
151.11282	6.8
153.09229	4.9
155.10799	7.9
157.08665	2.9
163.11328	2.5
165.09204	8.5
165.12880	11.5
169.08685	3.3
177.12868	2.2
181.08720	13.7
183.10223	13.1
191.14474	4.9
195.10277	3.1
197.11972	1.9
199.09744	20.9
201.16466	2.0
201.54446	1.3
211.09801	1.7
219.17540	56.7
220.17859	3.2
227.43138	1.4
228.24910	1.5
245.15480	4.4
263.16516	100.0
264.16895	5.9
281.17575	83.0
282.18143	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	281.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05180	0.9
57.03446	2.0
58.00592	1.2
59.01381	7.2
69.03466	3.0
71.01395	2.0
71.37250	2.0
71.37591	1.4
73.02941	1.3
73.80386	1.0
77.91368	1.0
83.05060	1.2
93.07101	1.9
95.04984	2.6
97.06544	1.3
107.08675	1.3
109.06606	3.1
111.08164	37.1
112.08485	1.5
119.08694	1.5
121.10230	1.5
123.08160	3.0
125.06062	2.0
125.09724	13.4
127.07676	2.7
137.09752	2.0
139.11304	3.3
141.09198	4.4
143.07143	3.8
149.09744	1.7
151.07632	3.3
153.09196	6.3
155.07199	1.9
155.10757	3.5
165.09200	1.3
165.12816	2.8
169.08708	100.0
170.09082	5.2
170.96266	1.1
171.10284	5.2
183.10278	16.9
185.08150	1.6
199.09782	3.8
201.16531	1.8
219.17595	3.3
226.08560	1.6
235.17079	11.5
237.15045	2.0
245.15479	2.1
263.16528	20.7
281.17575	40.2
281.24594	1.7
282.17871	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	281.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13564	1.6
57.03439	2.4
58.00588	2.3
59.01384	11.5
65.97374	1.4
69.03461	4.5
70.71880	3.6
70.72250	3.2
71.01397	2.9
73.02928	1.6
74.00188	1.6
78.63803	1.6
83.05022	2.2
93.07100	1.7
95.05031	3.6
97.02966	2.6
97.06591	3.9
105.31189	1.6
109.06571	5.3
111.08167	37.1
121.10230	4.9
123.08147	2.4
125.06033	2.5
125.09727	10.5
127.07668	8.1
135.08134	2.1
137.09697	5.9
139.11203	2.3
141.09161	4.4
143.07123	6.6
149.09686	5.9
151.07675	3.5
153.09259	11.6
155.10789	5.9
165.09114	2.2
165.12848	2.4
167.10847	2.6
169.08711	100.0
170.09029	2.6
171.10197	5.6
176.08273	1.9
183.10269	32.1
184.10666	2.1
186.22636	1.8
193.08710	2.8
199.09668	3.9
201.16516	2.8
219.17500	4.8
226.08400	3.6
231.56464	1.7
235.16983	7.1
236.09140	1.7
237.14905	3.8
263.16464	22.3
264.16873	2.6
281.14304	3.7
281.17557	60.9
281.24765	6.1
281.27948	1.7
282.17908	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	281.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42885	1.6
57.03453	10.0
59.01132	2.0
59.01384	21.1
62.01426	1.6
65.03972	1.8
69.03464	3.6
71.01392	3.7
71.05020	8.5
71.60681	1.8
77.17957	2.0
83.05043	4.6
93.03450	2.3
93.07043	2.6
95.05027	14.0
96.95998	1.8
97.06596	63.8
107.05045	13.7
111.08177	3.5
113.06123	2.0
113.09770	8.7
121.10267	17.0
125.06139	3.4
125.09711	2.1
131.62547	1.7
137.09695	3.9
139.07654	4.2
141.05608	2.4
143.07076	5.5
147.08159	5.9
153.78275	1.8
156.47090	1.9
157.08711	18.3
165.01854	1.8
165.09251	1.8
165.12802	6.1
169.08664	3.7
179.14462	2.2
181.08678	2.6
183.10184	2.5
196.52859	1.8
199.13307	2.9
201.16365	2.2
205.12271	3.3
209.11810	3.7
219.17499	6.3
223.13399	84.3
223.15616	4.0
224.13654	5.0
237.11324	2.9
237.15005	6.8
245.15350	2.4
263.16507	100.0
264.16843	6.8
281.14008	12.5
281.17575	90.7
281.24570	10.0
282.17877	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1967
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
56.05294	1.1
59.01383	2.4
71.01371	2.0
71.49612	1.5
85.94760	1.0
96.95992	5.0
111.08168	1.9
113.09752	8.1
119.05023	4.0
126.88596	0.9
133.01450	2.0
139.11292	3.0
153.09183	1.3
163.03993	6.2
165.09213	1.4
205.15988	1.2
235.20604	2.8
251.20174	37.0
252.20596	1.9
261.18570	14.8
279.16464	5.8
279.19669	100.0
279.23001	9.3
280.19928	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.09659	0.7
55.50144	0.6
55.75446	0.7
59.88298	0.6
70.35159	2.5
98.20478	0.9
105.93580	0.6
107.80559	0.7
162.96571	0.7
279.23288	100.0
280.23694	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	281.176
Annotation	Nardosinanol D
Peak:m/z	Relative Intensity
50.49436	1.2
57.03448	6.0
57.35986	1.1
59.01380	19.3
63.18806	1.0
63.36559	1.0
67.01880	1.5
67.23182	1.1
69.03454	6.7
69.83521	1.1
70.89734	3.3
71.01383	2.4
71.05025	14.8
74.74274	1.3
80.15616	1.1
83.05034	7.3
85.06588	4.2
87.04516	4.5
87.15649	1.3
95.05029	3.2
97.02943	7.1
97.06593	8.7
107.08649	2.0
107.88880	1.1
109.06573	4.5
111.04511	3.0
111.08173	2.5
113.06091	1.5
123.08157	3.7
125.06107	1.3
133.10252	1.3
137.09714	3.5
143.07166	1.2
147.08192	1.2
147.11754	1.7
149.09784	6.1
151.11311	3.5
155.10783	14.0
161.13364	3.5
165.12859	2.1
167.10785	65.6
168.11134	2.8
175.11272	1.5
177.09151	1.9
179.38187	1.1
183.10246	5.1
191.10904	1.2
193.12334	11.8
195.10268	4.4
201.16586	1.7
205.12364	5.6
207.13988	2.1
209.15408	2.1
211.13383	1.7
219.17485	4.6
223.13446	5.6
245.15382	2.5
263.16498	44.9
264.16928	2.2
281.17578	100.0
281.24722	4.2
282.17914	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	279.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	20.4
59.01374	37.6
69.03458	8.4
71.01383	38.7
83.05027	43.6
85.02963	6.6
95.05022	7.3
97.02950	4.6
97.06602	45.3
98.03746	6.0
102.93301	5.3
106.04269	5.7
107.05038	7.6
109.06592	16.9
111.08173	12.6
119.05051	5.9
119.08685	10.8
121.06610	8.3
123.04543	10.3
123.08172	69.6
125.09728	16.7
135.08167	18.3
137.06093	5.0
137.09732	45.5
141.09277	5.7
149.09686	5.1
151.07632	20.6
153.09265	30.8
155.10785	20.9
163.07648	52.7
163.11264	23.3
181.08730	52.2
181.12334	44.2
189.12943	6.1
196.07396	10.7
207.17499	8.3
211.06407	6.4
217.15967	96.5
218.16278	5.5
235.17033	42.3
261.15045	30.7
262.15503	5.6
279.16010	100.0
280.16324	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	279.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.8
59.01383	9.5
59.11984	1.1
64.34302	1.1
65.03987	1.7
69.03463	3.2
69.25105	3.9
69.25534	7.9
71.01389	7.5
71.05029	14.6
78.69242	1.0
80.02693	2.7
81.03468	5.7
83.05018	6.3
93.03480	1.7
95.05060	8.7
96.96011	3.8
97.02948	1.6
97.06560	2.4
98.03760	5.7
107.05048	1.8
107.08686	1.4
109.06602	31.6
111.04525	20.6
111.08187	2.2
112.05328	2.8
115.00412	4.2
115.07682	2.4
116.05083	1.3
116.14355	1.1
116.15266	1.2
119.05042	12.4
121.06629	3.7
123.04546	2.2
123.08185	4.4
125.06089	1.2
127.07664	15.8
133.01402	7.0
134.06143	1.7
135.08179	3.4
137.06097	1.9
145.06648	1.8
149.06133	2.7
149.09744	4.7
151.07724	1.2
163.04019	19.4
163.07666	1.2
163.11310	19.5
164.04361	1.2
167.10779	3.6
179.14510	2.9
206.20096	1.1
207.10272	2.2
211.87515	1.2
212.47060	1.3
217.13951	2.1
217.15994	40.8
217.18089	2.4
218.16350	2.8
221.11765	2.3
223.13475	4.4
235.17091	3.1
259.13416	2.6
261.14963	100.0
262.15314	7.8
279.12177	4.0
279.16003	27.2
279.19391	2.6
279.23224	7.3
280.16367	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	279.1603
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
57.03459	21.6
59.01381	32.2
61.98848	6.0
69.03457	6.4
69.26479	3.4
71.01385	43.0
71.15294	4.0
71.15666	3.3
72.01724	3.3
72.99315	6.1
80.02686	3.4
81.03445	5.1
81.52393	3.7
83.01390	4.3
83.05035	41.4
85.02992	7.6
93.03461	7.1
95.01450	4.0
95.05053	10.9
97.02956	7.8
97.06592	53.2
98.03678	3.9
98.81579	3.3
105.07165	3.7
106.04272	4.1
107.05035	7.5
109.02927	7.1
109.06594	18.9
111.00893	3.7
111.04546	5.0
111.08179	9.1
115.00370	4.4
119.05022	28.0
119.08658	4.2
121.06603	14.4
122.74792	3.9
123.04523	8.6
123.08168	59.7
124.05288	4.8
125.06057	4.6
125.09740	19.5
133.01445	9.1
133.06606	6.0
135.08142	19.9
137.02385	3.8
137.06140	6.9
137.09712	36.4
139.07675	8.8
141.09189	5.5
144.30330	3.5
145.06602	5.1
147.08138	5.9
149.09705	4.2
151.07640	23.2
153.09241	31.4
155.10808	18.6
157.10399	3.5
163.04024	23.4
163.07643	46.7
163.11292	26.7
164.08113	3.4
165.09282	3.9
167.10815	4.5
181.08728	51.9
181.12338	38.8
189.12813	3.6
191.14371	4.9
196.07458	3.8
207.17566	10.2
215.14493	4.5
217.12569	3.5
217.15988	92.1
218.16272	6.4
232.05421	3.3
235.17038	46.3
261.14948	25.7
279.13361	5.7
279.16159	100.0
279.19305	6.5
279.23236	26.6
280.16501	6.3
304.16626	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	279.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89487	1.9
55.58859	1.7
57.03440	4.1
59.01382	42.4
64.54594	1.8
66.21679	2.0
67.01901	3.0
69.03458	4.2
70.34389	3.8
70.34784	3.7
81.03464	7.5
83.01393	4.5
83.05043	9.9
85.02973	3.2
93.03488	2.9
95.05035	17.5
97.02956	21.4
97.06591	27.8
98.19985	2.2
110.03748	2.6
113.06077	2.7
116.05077	3.2
120.05736	2.0
121.10271	4.1
123.04562	5.5
125.06136	2.7
128.01137	2.0
133.06619	5.9
135.08197	12.4
137.09720	10.7
139.07651	12.5
149.09724	4.4
150.40013	2.2
151.07732	2.7
153.09213	5.9
157.08687	3.6
161.09700	2.6
163.07639	7.2
163.11296	32.2
165.09180	4.8
175.11258	2.0
181.08826	9.8
181.12299	11.9
189.12796	8.3
192.02686	1.8
197.08179	3.3
217.15985	100.0
218.16321	6.8
231.14148	1.9
235.17113	4.1
243.13766	2.4
258.64844	2.3
261.14960	26.4
262.14978	2.7
279.16071	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	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71803	0.9
58.92116	0.8
68.20848	0.9
70.55501	2.9
71.01387	20.2
84.02483	1.0
115.00392	10.6
119.05029	63.5
120.05330	1.9
133.01431	8.4
163.04012	100.0
164.04367	3.2
174.36171	1.0
212.62831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95463	2.2
71.01387	18.2
72.99305	2.9
73.49573	0.9
87.00896	1.1
89.02460	2.4
90.27279	1.2
115.00380	40.3
118.32227	1.1
119.05022	30.2
120.05346	1.1
121.14849	1.0
123.22913	1.0
133.01440	100.0
134.01810	1.2
145.73322	1.1
163.04007	31.6
178.56915	1.0
193.83174	1.2
245.89548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67912	0.6
62.96218	0.7
68.58714	0.8
70.95058	1.4
70.95405	1.3
71.01389	19.4
78.20811	0.6
79.35397	0.7
115.00387	9.3
119.05036	57.0
120.05385	2.0
133.01448	11.9
163.04031	100.0
164.04364	2.9
227.84813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31100	1.1
57.97564	8.4
59.01378	5.3
61.98806	1.2
66.17297	1.0
67.03018	6.3
71.01382	4.0
71.52078	1.3
78.21259	1.1
85.02962	2.3
86.02486	22.5
86.52023	1.1
87.00886	1.6
93.03444	1.4
97.06594	4.0
99.32260	1.1
101.01797	13.2
105.87112	1.2
106.04324	1.1
110.03731	2.6
111.04506	3.8
115.00367	1.7
119.05003	7.8
119.08652	2.4
120.01257	3.6
120.52149	1.1
123.04598	1.4
133.01439	4.5
133.06667	1.5
135.08168	2.5
137.06107	2.5
137.09756	4.3
147.08200	6.3
149.06096	2.7
160.05325	1.2
163.04037	10.7
163.11340	1.0
165.09183	3.8
181.08710	8.8
191.07123	2.5
201.05299	8.9
209.08191	50.0
210.08617	1.6
211.05473	1.6
217.16042	3.4
235.17044	3.3
241.79869	1.3
261.14954	8.1
279.12927	4.0
279.16031	100.0
279.23111	10.3
280.16348	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	278.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64481	0.4
57.42600	0.5
59.01378	3.1
68.20520	0.4
69.36078	1.3
69.36505	3.0
69.89182	0.5
71.01394	1.0
87.78233	0.5
96.96020	2.4
102.46568	0.5
105.86541	0.5
119.05049	0.6
133.01419	0.6
146.60773	0.5
163.03969	1.2
194.25848	0.5
248.50130	0.5
257.94144	0.5
260.20975	0.7
278.04669	0.7
278.18851	4.2
278.22055	100.0
279.16370	2.9
279.22806	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01368	0.8
70.20820	1.4
77.01653	0.4
83.04993	0.5
127.07658	0.5
171.48271	0.4
233.22702	0.5
275.20212	0.4
277.21725	100.0
278.22104	7.6
288.39615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16589	0.7
55.01878	1.6
58.97602	0.6
59.01360	0.8
60.99310	13.2
65.03951	1.1
67.91772	0.7
69.29768	1.7
69.30173	6.4
71.01367	1.9
71.05019	1.8
71.30865	0.7
73.02907	0.8
74.47204	0.8
75.79004	0.8
83.05025	0.9
84.73893	0.8
88.24598	0.7
96.96033	0.7
97.06595	1.9
98.20672	1.1
116.05054	3.2
116.07165	1.4
119.05026	2.9
119.07422	1.9
120.08198	3.1
127.79555	0.8
132.08195	2.7
133.01424	2.0
134.09772	55.9
135.10098	2.2
144.08238	1.3
145.09074	1.5
146.09714	2.6
148.11380	1.5
150.09242	0.8
157.08708	0.9
158.09650	1.0
160.07675	5.2
160.11322	9.8
161.08405	1.3
163.04028	5.2
174.12965	2.1
176.10794	3.5
183.10150	0.8
186.09328	1.7
186.12901	7.3
187.10081	1.0
188.14436	1.5
190.12386	10.1
191.12819	0.8
198.12909	2.4
204.13940	19.4
205.14316	0.7
207.10289	1.3
216.13936	100.0
217.14304	6.4
234.15030	5.5
248.12889	6.3
261.14920	1.1
262.08835	1.0
278.11325	1.3
278.14035	9.9
278.22083	1.1
279.16183	1.4
279.23520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01382	2.8
71.01361	0.3
71.37698	0.6
83.05053	0.3
94.72561	0.3
102.16025	0.3
115.09941	0.3
118.32005	0.3
195.52353	0.3
201.18941	0.3
205.15848	0.3
232.16765	0.3
233.22725	0.6
259.20691	0.4
277.21713	100.0
278.22049	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01373	3.5
66.33586	0.3
69.49219	2.4
71.01402	0.4
98.30827	0.3
123.53574	0.3
127.07637	0.5
175.47644	0.4
205.15984	0.6
233.19089	0.5
233.22699	1.0
259.20544	0.7
277.18375	5.3
277.21716	100.0
278.18933	0.7
278.22070	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	277.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42476	0.4
59.01384	2.5
62.81712	0.4
70.12111	1.0
70.12522	1.4
98.20504	0.6
112.09887	0.5
168.99449	0.4
205.16107	0.5
233.22617	0.7
259.20773	0.7
277.21725	100.0
278.22073	7.1
288.69424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	(8alpha,13S)-8,13:13,17-Diepoxy-14,15-dinorlabdane
Peak:m/z	Relative Intensity
59.01383	5.2
60.97530	0.6
70.08578	1.4
71.01410	0.7
83.05061	0.4
84.83334	0.4
98.19901	0.5
103.02219	0.5
104.94675	0.4
110.32570	0.3
121.03279	3.1
146.99368	0.4
147.08476	2.9
148.21666	0.4
149.00966	0.4
154.94655	0.4
165.00459	8.8
166.46797	0.3
180.99966	0.8
188.67668	0.3
189.04150	0.9
191.05676	8.0
205.07242	1.2
205.15982	1.2
207.05176	0.7
217.07274	0.5
231.08827	1.1
233.10350	69.2
234.10490	5.9
251.11394	0.4
259.15524	0.8
259.20560	0.8
275.20325	0.4
277.16626	57.6
277.21671	100.0
278.16736	5.8
278.21991	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19768	0.3
59.01384	10.5
60.92526	0.2
70.25518	0.3
71.01382	0.7
83.05016	0.6
88.76140	0.3
96.95983	0.3
98.20745	0.5
112.15589	0.3
121.02952	0.4
205.15952	2.4
233.19106	1.2
233.22731	0.7
259.20682	0.4
270.63571	0.3
275.20160	0.4
277.18188	19.7
277.21729	100.0
278.18475	1.7
278.22064	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1661
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
52.18541	0.5
54.79119	0.4
59.01183	2.0
59.01521	4.3
70.63036	1.3
103.02341	1.0
108.38853	0.4
121.03196	4.1
131.84526	0.5
146.99576	0.9
147.08467	5.2
152.00980	0.4
157.06601	0.5
165.00459	11.1
166.00540	0.6
181.00029	1.2
184.25441	0.5
189.04143	1.7
191.05643	11.8
191.07314	0.7
192.05763	0.6
205.07204	2.2
205.15997	1.7
207.05228	0.7
217.07249	0.5
231.08769	1.6
233.10347	100.0
234.10481	7.4
251.11301	0.6
259.15460	0.5
277.16525	79.8
277.21609	76.1
277.24481	1.6
278.16699	7.8
278.21988	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	275.129
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
57.54455	0.9
59.01381	1.7
69.94112	0.9
71.30685	2.0
76.39177	1.1
77.03967	1.4
81.76074	0.9
95.05031	1.8
105.03477	15.6
111.00894	0.9
116.92841	1.3
123.04517	1.3
131.51297	1.0
132.02214	2.7
133.02963	88.4
134.03792	14.7
135.04533	1.8
137.02460	6.1
139.04056	1.4
147.04449	1.3
148.05287	4.6
149.02463	2.3
149.06015	2.2
160.01653	4.6
162.03151	1.5
162.50078	0.9
175.04039	1.5
177.01953	18.9
178.02740	9.6
187.07764	1.3
193.05070	8.8
231.10246	2.0
232.10953	1.1
260.10529	100.0
261.10883	6.4
275.09424	5.0
275.12897	76.5
275.19962	8.6
276.13153	6.3
285.49603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2016
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
69.30016	15.9
69.30444	6.8
95.97087	2.5
113.06088	2.3
114.24554	2.0
128.10046	2.2
133.59648	2.2
150.79610	1.9
218.76689	2.3
231.21178	100.0
232.21349	4.6
275.20065	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	277.0983
Annotation	Dehydrocyclopeptine
Peak:m/z	Relative Intensity
57.97561	6.6
59.01381	2.5
59.97150	3.5
61.98838	1.4
69.60557	1.0
70.78183	3.1
71.05042	1.7
88.09535	1.4
88.96244	1.1
92.05064	56.3
93.05362	1.2
102.03529	2.1
116.05068	74.4
117.05427	3.6
118.03016	1.9
120.04548	15.5
121.02974	2.2
128.05051	4.2
129.05814	1.4
130.06633	41.5
131.06992	1.9
133.06662	1.6
141.04565	2.0
144.04546	4.1
146.06137	2.6
146.08167	1.5
156.04581	10.7
157.05348	2.0
161.04828	1.5
172.04042	4.6
174.05550	1.8
189.04294	2.9
207.09251	10.7
215.14436	3.7
216.01894	1.5
216.08104	1.2
217.07666	4.0
221.10815	2.4
230.08496	1.6
231.06979	1.4
231.09261	25.1
232.07671	6.7
232.09715	1.7
233.10831	100.0
234.11148	8.9
242.66098	1.3
249.10323	87.5
250.10637	7.0
259.08759	25.7
260.09042	3.3
277.03189	3.5
277.06973	2.1
277.09854	32.9
277.14621	2.9
277.18179	7.9
277.21747	23.4
278.10355	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	275.0929
Annotation	Notoserolide D
Peak:m/z	Relative Intensity
52.50032	1.7
57.97557	5.4
59.01385	2.1
71.04556	1.5
71.60375	2.2
72.57296	1.8
76.10615	1.6
77.03966	2.8
78.41502	1.8
78.61742	1.8
89.04002	3.9
93.03452	2.4
95.05054	5.2
97.06612	3.6
105.03469	18.0
112.02281	5.2
116.05064	22.2
116.07169	14.3
116.92899	3.3
117.03457	9.9
121.02964	2.7
123.04547	5.0
133.02963	49.7
134.03754	96.2
135.04561	29.6
137.02441	9.8
139.04033	4.2
141.06726	3.0
145.02950	3.3
149.02443	3.0
161.02449	7.2
162.03226	29.6
173.06100	2.1
177.01953	7.3
178.02724	43.2
187.07648	7.1
203.10794	3.2
231.10260	65.8
232.10553	3.8
241.10231	7.6
275.09296	100.0
275.12167	3.9
275.20160	2.5
276.09616	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	275.0926
Annotation	3alpha,4alpha-Epoxyporelladiolide
Peak:m/z	Relative Intensity
70.76086	1.0
70.76447	0.3
77.03967	3.7
81.03436	0.6
83.65363	0.4
89.03978	4.2
93.03475	0.9
95.03079	0.4
95.05038	6.3
97.06577	3.8
105.03466	23.8
106.04304	0.8
107.01423	0.8
109.02945	0.4
111.00876	0.5
117.03471	9.4
119.05063	1.0
121.02958	1.5
123.04549	3.3
132.02193	1.2
133.02965	46.5
134.03749	85.8
135.04552	25.2
136.04855	0.7
137.02428	2.7
139.04015	0.9
145.02948	2.4
145.06598	0.7
149.02455	1.9
158.03694	0.5
159.04567	1.0
161.02461	5.8
162.03236	22.5
163.03619	0.9
171.04553	0.9
172.05276	0.6
173.06036	0.8
177.01959	2.3
178.02684	7.1
184.96347	0.4
187.07642	4.2
203.10760	2.6
231.10263	80.8
232.10632	4.4
275.09262	100.0
276.09604	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04486	0.3
59.01373	1.0
70.54769	0.6
70.55140	0.6
71.01385	0.7
79.95746	3.1
80.96529	0.5
89.02448	0.6
91.04028	0.9
91.49454	0.3
98.00117	0.3
122.57641	0.3
123.08193	0.7
134.06114	0.4
134.71013	0.3
137.09744	2.7
140.05411	0.3
143.05142	0.3
145.10339	0.4
151.07541	0.3
155.10791	100.0
156.11134	3.5
171.08180	0.6
172.05328	3.2
173.09727	0.6
174.03259	0.5
181.08702	1.1
185.06062	1.0
186.06917	0.4
187.07635	0.5
199.07697	1.6
199.09792	3.4
200.04787	2.4
200.08382	0.8
200.10083	0.4
201.09225	3.2
211.07637	0.6
214.06186	0.3
227.07243	1.2
229.08716	4.3
250.80061	0.3
255.11420	1.3
273.07776	1.4
273.13480	7.1
273.16693	0.6
274.13705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.077
Annotation	Fomajorin S
Peak:m/z	Relative Intensity
51.16896	0.3
57.05040	0.3
58.02967	0.7
69.22540	0.3
71.01394	0.5
71.53856	0.3
71.60264	0.7
74.02483	0.9
78.99938	0.4
90.47588	0.3
97.30190	0.3
99.05642	0.5
128.03532	1.3
129.03912	0.9
130.08705	0.5
143.04597	2.1
143.11923	0.6
144.04941	1.7
144.05927	0.8
145.06638	2.1
159.04503	1.1
161.02515	0.8
168.05827	0.5
171.04568	3.7
172.05309	29.7
173.06090	16.5
174.03246	1.2
174.06357	0.9
175.04010	1.7
183.08168	0.7
185.06004	0.6
186.03287	0.7
187.04021	5.0
187.07576	0.5
193.07741	0.6
196.05286	3.3
198.03386	0.6
199.04028	2.6
199.09703	1.1
200.04796	5.3
201.05511	0.9
201.09303	0.6
203.03470	1.8
204.04288	6.2
211.07620	6.7
211.09254	0.5
212.08070	0.4
213.05563	0.5
215.07149	1.2
216.04266	5.6
217.05019	1.6
227.07027	0.6
229.08694	52.4
230.09050	3.4
244.03705	2.4
247.09737	2.9
248.03224	3.1
255.06493	2.0
271.05984	0.5
273.07693	100.0
274.08047	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	273.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83284	0.6
57.97545	0.7
59.01379	1.2
61.98833	18.4
70.12735	1.4
70.13136	0.8
71.01385	17.7
72.99316	6.9
73.02950	23.4
78.95913	2.7
80.91693	6.0
84.84386	0.5
87.00877	3.5
88.04025	0.8
88.27420	0.5
89.02451	2.2
92.92815	1.1
92.95997	1.4
94.92515	4.0
95.95224	0.7
96.96012	1.5
98.02464	0.7
99.00880	4.8
99.92578	0.7
101.02419	0.6
101.07142	0.6
102.05618	0.9
105.01970	1.4
110.98534	0.6
111.00858	1.0
114.05608	0.7
115.00381	43.4
115.92091	0.7
116.00723	0.7
116.07185	0.8
116.92872	1.4
117.01948	53.6
118.02251	1.0
125.00945	1.4
126.98890	4.3
127.00272	0.5
128.03542	1.5
129.01923	0.8
131.02042	2.5
132.03059	1.0
133.01439	100.0
134.01797	1.6
134.03796	3.5
135.04541	9.6
136.22200	0.6
136.98567	1.4
139.00142	6.6
144.98181	0.9
145.06241	0.8
146.04594	1.3
146.99846	0.9
148.94942	3.0
148.98628	1.6
154.99632	1.4
156.99916	8.2
162.94817	0.5
168.94684	1.8
168.99940	8.6
170.00095	0.6
172.97685	5.4
172.99390	2.4
173.00873	2.2
173.03120	2.7
174.96577	1.6
175.02504	4.0
179.03510	7.5
186.94312	0.8
186.95769	1.8
186.99361	0.7
187.00984	1.3
188.05638	1.3
189.01694	1.7
190.94302	2.5
190.96077	3.2
196.96011	2.9
198.95724	1.7
199.01003	5.4
201.01692	4.4
212.95567	0.9
212.98822	7.8
214.02083	0.6
214.95184	0.7
215.00497	0.8
219.01576	1.8
229.08734	1.1
242.76942	0.6
273.02280	3.7
273.07748	1.9
274.05557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12862	5.9
72.99311	16.6
78.63035	1.5
78.95909	8.6
84.41437	1.5
87.00888	7.9
89.14256	1.3
92.92783	2.3
92.95996	7.1
94.92506	6.8
96.96027	5.9
98.20023	2.1
102.05611	5.4
105.01974	6.6
109.67358	1.4
110.98559	2.4
115.00322	2.3
117.00484	3.1
119.57627	1.4
125.00965	25.6
126.01048	1.5
126.98886	38.1
127.99018	4.0
128.03542	7.7
128.98669	4.1
130.88943	1.9
130.95235	1.4
132.03026	2.7
133.01439	5.4
134.97034	1.6
136.94075	1.4
136.98582	4.6
141.00473	1.9
141.97610	2.4
143.01971	2.1
146.04610	16.1
146.95171	1.3
148.94984	35.3
154.98395	1.4
154.99658	4.1
168.01505	2.5
168.02792	6.9
168.94589	3.2
168.99940	100.0
170.00098	6.7
172.99434	14.2
183.01495	3.7
185.03098	1.7
186.02589	5.8
186.94292	7.1
186.95879	3.3
190.96048	29.2
191.05602	1.5
191.96075	1.5
211.01106	3.0
212.95644	2.7
214.95181	5.8
215.00514	11.0
230.95320	2.2
232.94948	3.1
239.37199	1.5
255.00005	1.7
272.94681	5.3
273.03680	4.0
273.06113	3.2
273.15674	1.5
273.94897	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	272.993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99934	0.3
56.96584	0.3
59.01384	1.5
61.98831	0.4
71.01376	2.0
71.58855	0.3
72.99310	1.0
73.02950	11.6
74.80207	0.3
80.25562	0.3
81.35840	0.2
87.00874	0.3
88.04052	0.5
90.97146	2.1
95.95228	1.0
96.96026	1.3
99.00887	2.2
106.96693	0.4
108.02222	0.4
115.00369	1.8
116.07171	0.6
116.92861	0.6
117.01949	17.0
118.96639	1.5
120.94553	0.5
125.00983	0.7
126.98841	1.5
129.00410	0.3
130.08739	3.4
131.02011	2.7
131.09079	1.0
132.98203	0.3
133.01451	3.5
134.03764	0.4
135.04562	0.8
143.00212	0.4
143.01990	0.4
144.98203	15.7
146.99773	10.0
148.98601	0.4
156.99930	8.7
158.00069	0.8
158.99731	0.3
168.46114	0.3
168.99939	3.2
170.00037	0.5
171.01495	0.3
172.97682	100.0
173.98044	1.5
174.99254	1.3
175.02512	6.4
176.02644	0.6
183.01451	0.4
185.01378	0.5
185.02975	0.4
186.99321	0.7
187.00977	1.2
187.99614	0.4
189.00926	0.3
190.94333	0.7
190.98724	0.6
193.07724	0.4
198.99335	0.5
199.00984	1.8
201.00647	0.5
211.00929	0.3
212.98933	8.4
213.00482	0.3
213.99025	0.6
216.96626	1.9
219.01453	2.7
226.98746	0.6
229.00247	0.4
229.03612	1.0
229.08794	0.4
254.98222	6.3
272.99310	14.2
273.02539	3.5
273.07599	0.9
273.10199	1.2
273.96887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10162	0.5
57.97528	0.8
59.01384	10.4
61.98792	0.6
67.87945	0.5
69.96066	2.7
71.01348	1.4
72.00903	1.0
72.99306	0.7
73.02589	0.8
73.02948	8.1
74.02473	0.6
79.95748	2.9
88.04034	0.7
90.97122	0.9
91.25116	0.5
95.95243	17.6
95.95866	0.9
96.96022	28.9
99.00860	1.0
108.02184	1.2
109.02504	1.4
111.92971	4.0
114.05637	0.6
114.71727	0.6
115.00374	1.4
117.00454	1.2
117.01945	7.8
125.00974	0.8
126.98897	0.9
128.03510	0.7
128.06313	0.6
128.07161	3.3
130.08748	100.0
131.01985	1.6
131.09091	1.9
131.22653	0.6
132.98189	0.8
133.01727	2.5
134.04712	1.5
143.04659	0.7
144.98193	7.2
146.99760	4.8
156.25734	0.6
156.99942	6.5
158.99757	0.7
168.99904	2.9
172.01065	2.6
172.97690	44.2
174.02780	0.5
175.02505	4.1
186.99353	0.7
199.00969	0.7
206.92458	0.6
207.97513	3.7
208.98254	2.3
212.98904	4.5
216.96742	0.8
219.01530	1.6
220.44365	0.6
228.07410	2.5
230.08818	8.3
230.15344	0.6
244.08876	1.6
246.10284	1.3
254.98251	2.7
256.95139	0.9
271.97324	9.3
272.10077	43.5
272.99454	5.5
273.02789	2.7
273.07617	1.0
273.10196	3.7
280.85107	0.6
294.38828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	12.5
59.01393	0.3
62.74169	0.3
66.03497	1.5
67.03025	0.3
68.05070	0.6
69.88320	1.3
70.02977	0.5
71.01382	0.9
72.00926	1.1
72.90224	0.3
74.02476	18.9
81.04586	0.7
82.02982	1.8
84.04538	0.7
85.04093	0.5
86.02485	10.4
86.06126	1.6
87.05642	5.5
88.04058	1.1
91.53185	0.3
95.95223	0.8
96.04565	0.7
96.96015	1.0
97.04079	3.4
98.06091	0.3
98.52549	0.3
99.05648	24.4
100.04063	0.6
100.05986	0.3
101.07214	2.6
102.05610	2.1
107.06158	1.1
109.04068	1.9
109.07710	0.7
111.05666	1.4
112.04052	3.0
113.03579	0.6
113.07223	0.5
123.05677	2.0
124.04044	0.6
125.03551	1.7
127.05141	1.1
128.03546	56.8
129.03885	1.4
135.05652	3.0
137.07242	1.5
139.05180	0.3
139.08752	0.3
141.06700	2.3
143.04628	100.0
144.05043	1.9
145.06200	3.1
146.04605	7.2
146.05707	0.6
149.07187	0.3
153.06686	1.8
155.08281	1.1
166.09831	3.0
167.04616	2.5
167.08310	1.3
170.03285	0.5
171.04105	0.3
179.04626	12.8
180.05005	0.5
181.06203	1.7
184.10930	1.4
185.05684	2.0
192.07719	0.6
197.05739	1.6
199.07329	0.6
201.09212	0.8
210.08842	16.7
211.09213	0.6
214.06299	0.3
228.09891	1.0
229.08754	1.8
236.06746	0.5
254.07813	8.8
255.08098	0.6
268.34021	0.3
272.02841	0.6
272.08890	13.1
272.15701	0.8
273.07544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
58.51867	0.6
59.01385	1.3
71.26494	0.7
167.46220	0.6
189.14688	0.7
197.19086	1.1
223.20679	4.6
225.22235	62.7
226.22603	3.8
233.07245	0.6
241.25804	0.6
253.21748	2.1
254.21922	0.5
271.22787	100.0
272.23148	7.8
283.63922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36260	2.1
58.02983	4.8
59.01368	3.2
70.05129	10.3
71.01385	2.9
72.99320	2.9
74.02487	5.3
83.01376	3.0
86.02489	3.1
96.96033	5.0
99.00909	4.2
99.05627	5.9
105.46413	2.7
112.98821	7.2
115.00358	3.2
128.03548	16.6
137.01167	3.3
142.99854	5.1
143.04625	24.5
150.04216	4.4
153.05573	8.1
174.01691	100.0
175.02191	3.5
179.04608	5.7
179.07230	2.3
193.05086	3.3
210.08823	4.5
211.06215	3.2
241.93312	2.5
254.07849	4.2
271.08289	4.9
271.15372	2.7
271.19345	2.9
272.08929	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	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76062	1.7
59.01385	9.4
63.02367	8.1
65.00319	13.7
69.33335	17.8
71.01395	11.6
72.99286	7.6
73.02916	2.9
74.00203	2.0
74.02443	6.2
79.95726	2.0
81.03449	4.6
83.01389	12.1
86.02458	3.3
89.02428	4.1
93.03469	14.6
95.95232	10.0
96.96016	17.8
97.06580	3.4
99.00837	7.9
99.01970	2.5
99.05609	7.6
107.01400	23.4
107.04994	2.7
108.02143	4.7
109.06602	9.8
111.01961	4.3
111.42431	2.2
112.98792	9.4
117.01887	6.0
117.03512	2.1
119.05032	66.9
123.04392	2.3
123.08137	2.0
125.02461	11.0
125.03255	3.0
125.06015	6.8
127.05151	12.0
127.07595	5.4
127.99757	1.9
128.03540	17.0
130.08763	2.6
133.01367	3.6
135.02969	3.3
135.08206	2.8
137.06023	6.8
142.99760	7.1
143.04620	23.2
145.02953	12.4
146.04546	2.3
149.06010	3.7
151.00375	60.5
153.05545	16.4
155.07112	1.9
155.08275	12.0
161.05997	5.3
165.01799	3.4
165.05412	2.1
167.07031	3.8
169.01326	2.9
169.40211	1.8
173.00948	2.6
174.01697	100.0
175.02101	2.8
177.01872	6.3
179.01607	3.7
184.04932	2.2
184.91705	2.0
185.05963	5.4
187.03949	2.3
193.04919	7.4
195.96611	14.4
196.97383	20.6
197.05986	4.4
203.07083	2.3
210.08681	5.5
210.97232	2.6
210.98935	33.7
211.05496	5.4
211.99690	11.9
213.05327	7.1
223.96786	2.6
225.05379	7.7
226.06361	2.4
227.01953	3.4
227.06982	5.8
241.04980	16.5
254.07841	2.1
256.07236	18.9
271.01251	17.5
271.05954	80.7
271.09448	3.6
271.15332	7.6
271.19031	5.3
271.22623	2.7
271.96997	2.1
272.06256	4.5
272.14975	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	269.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88140	0.9
57.03452	1.2
59.01363	1.9
61.98832	1.8
69.35432	3.0
69.35860	5.1
71.01389	1.3
76.03618	1.1
83.05001	1.1
98.20573	2.0
101.52505	0.9
125.09760	2.3
155.10785	36.1
185.02519	0.9
187.09807	1.1
205.41046	1.0
209.39571	0.9
210.08749	1.0
251.20224	5.8
269.04520	3.1
269.21228	100.0
269.24722	9.0
270.21622	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2123
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
56.16633	0.4
57.03453	0.4
58.96235	0.3
69.89010	0.4
71.59275	0.5
97.06580	0.9
99.08160	3.6
113.09715	1.5
123.08135	0.5
125.06088	0.8
141.09222	0.4
143.07156	3.6
153.12856	1.0
164.02429	0.4
223.20663	0.6
251.20284	0.7
267.19653	1.3
269.21219	100.0
270.21573	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	269.1761
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
57.03436	2.3
59.01381	5.9
61.98837	3.9
70.66532	7.1
70.99676	2.2
71.01406	4.1
81.13062	2.5
85.06578	5.1
95.05034	3.1
97.06605	22.0
98.19938	2.8
125.09710	3.4
127.11308	4.6
137.02498	2.8
139.11295	3.4
151.11357	3.6
155.10786	5.2
166.91092	2.4
171.10268	100.0
172.10680	3.4
183.10277	5.2
185.11897	15.0
195.91005	2.6
201.11319	13.8
203.18365	3.1
211.13422	6.8
251.16519	35.5
252.16997	2.7
269.04608	15.2
269.07379	2.2
269.08032	2.3
269.17596	95.9
269.21219	44.8
269.24872	24.2
270.17892	5.7
270.21368	4.6
280.75656	2.8
285.89438	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	269.1296
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
52.08438	0.6
53.85492	0.6
55.37815	0.5
57.38878	0.5
59.01381	0.8
61.98814	1.4
62.96396	0.8
65.00275	0.6
69.94595	2.4
109.02909	0.6
120.04567	2.0
163.87492	0.5
169.09116	0.6
183.05736	0.6
183.44043	0.5
197.02719	0.7
210.09169	0.6
211.08800	5.4
211.13426	1.0
218.73695	0.5
225.10315	7.2
226.10840	1.2
226.12730	0.8
239.08298	4.8
240.08981	0.8
241.13464	3.6
241.18353	0.8
251.11996	0.8
253.09894	3.5
254.10617	19.5
255.10957	1.1
269.04544	1.7
269.12958	100.0
269.21207	13.8
269.24832	5.3
270.13196	5.4
270.21362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28176	0.4
57.98114	0.5
59.01352	1.7
67.72692	0.4
69.03443	0.6
69.03805	0.4
70.09841	0.9
70.64849	0.4
71.01381	0.7
71.04990	1.0
75.34014	0.4
75.48040	0.4
79.15247	0.5
82.78043	0.4
83.05003	1.9
85.06581	1.0
87.04472	0.5
101.06056	0.8
109.02916	0.6
117.03448	1.7
129.05534	1.0
139.07700	2.1
147.06635	6.6
149.02399	0.6
151.00351	0.8
181.15977	1.3
189.12854	0.5
207.13881	2.1
225.14966	100.0
226.15300	6.4
226.93105	0.5
233.11844	1.2
251.12904	6.3
251.16626	0.9
269.04544	6.6
269.07730	0.7
269.13962	22.6
269.17480	2.0
269.21277	7.5
269.24863	4.3
270.14401	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	11.6
57.03454	8.1
58.00598	3.0
59.01382	47.7
69.03470	1.5
71.01388	100.0
71.19145	1.3
72.01699	1.3
72.99310	6.0
73.02953	34.2
75.00860	2.5
83.01397	18.7
84.02108	1.4
85.02441	2.7
85.02958	51.6
87.00887	4.3
89.02448	5.2
95.01408	6.9
97.02980	2.3
99.00896	14.9
101.02451	74.0
102.02776	1.8
107.05038	1.7
111.00891	1.5
113.01690	2.4
113.02462	40.9
125.02454	2.5
129.01920	2.1
135.04510	1.1
142.06660	1.2
143.03513	1.9
159.03038	8.8
161.04570	27.0
161.75519	1.1
165.00282	1.1
195.10266	2.4
205.03566	1.9
269.04526	2.4
269.10410	5.9
269.13593	1.6
269.17593	2.1
269.21225	11.7
269.24854	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	268.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84380	1.6
57.97569	2.0
59.01373	2.1
60.32777	1.5
61.98835	100.0
70.53721	1.4
71.07762	3.8
72.99316	11.4
73.02954	4.7
75.00893	2.1
81.26656	1.6
82.74389	1.7
88.04036	3.2
89.02398	2.1
99.00896	2.2
100.04045	2.0
115.48524	1.7
117.01943	9.5
127.25014	1.6
131.02017	3.3
143.59016	1.6
152.95958	7.6
161.19656	2.1
166.99625	4.0
168.02771	5.3
169.98581	3.7
170.97040	13.5
180.94121	4.1
195.05069	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	267.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73294	0.8
53.72424	0.8
59.01384	9.5
71.01379	1.6
77.06824	0.9
83.05041	1.9
89.02425	1.1
93.03414	0.9
99.08167	1.5
101.02446	1.1
113.09718	1.9
121.02935	1.7
132.46887	0.8
149.09734	3.3
167.10780	50.3
168.11119	2.5
191.45061	0.9
205.19548	1.3
223.20648	1.0
231.17422	1.2
249.18599	32.2
267.19659	100.0
268.19977	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	267.1965
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
57.03460	3.4
58.56684	0.7
59.01373	3.7
69.03465	1.0
70.62106	1.4
70.62465	1.4
71.01371	0.9
77.24010	0.7
89.02469	0.7
95.05016	2.0
97.06602	9.5
99.08161	1.4
113.09730	7.5
125.06084	2.7
138.37169	0.7
143.07141	35.1
151.11322	2.4
181.29974	0.6
205.19698	0.7
220.97220	0.6
249.18591	33.7
250.18869	1.7
267.19650	100.0
268.20010	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	268.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
71.01388	10.6
71.58944	4.0
99.00877	8.6
100.69856	2.6
130.08740	10.1
134.04707	4.5
135.03125	7.5
136.03436	7.5
146.42078	3.0
168.01617	2.8
189.23157	2.8
191.57576	2.8
268.07571	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	265.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
58.18696	0.7
59.01380	16.3
63.18897	0.7
70.62488	1.3
71.01373	2.8
71.05022	11.7
83.05013	2.1
85.02949	0.7
85.06588	1.6
89.22266	0.8
96.96004	5.1
97.06590	2.3
98.02389	0.8
103.75412	0.8
106.68203	0.8
109.06614	0.9
118.81504	0.9
135.11784	1.0
149.13326	2.4
163.14891	3.0
181.12297	1.7
193.12303	2.2
195.13817	4.4
203.18042	9.1
204.18431	1.0
207.13899	57.2
208.14229	4.5
209.15451	1.0
221.19109	1.1
247.17029	37.7
248.17371	2.5
265.14871	6.8
265.18069	100.0
266.18454	6.4
279.31226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1398
Annotation	Metoprolol acid
Peak:m/z	Relative Intensity
59.01376	2.1
69.47931	8.0
71.01380	2.2
87.23130	0.9
97.06630	0.9
107.89146	1.1
115.38300	1.0
130.80345	0.9
204.13931	38.7
205.14278	1.3
222.14989	66.5
223.15329	3.5
232.65527	1.0
248.12839	4.0
252.04309	3.4
266.13977	100.0
267.06546	2.5
267.11734	1.0
267.14020	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	267.0736
Annotation	formycin b
Peak:m/z	Relative Intensity
56.31938	0.2
57.68594	0.3
59.01383	0.4
63.89956	0.2
64.81322	0.3
70.98773	0.4
70.99091	0.3
71.44361	0.2
84.06646	0.2
89.72428	0.2
97.33828	0.2
108.02046	10.6
126.03102	0.4
133.01601	0.3
134.03688	0.7
134.04701	0.4
149.06108	0.6
150.01912	0.3
151.02625	100.0
152.03075	1.9
177.04185	3.8
208.06178	0.3
267.07346	27.3
268.07730	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	267.0874
Annotation	Botryolide C
Peak:m/z	Relative Intensity
59.01374	0.5
69.75120	0.7
70.04053	0.1
71.01396	0.7
71.01736	0.1
75.00863	0.2
77.47994	0.1
85.02959	0.7
87.00870	0.2
90.59060	0.1
94.80950	0.1
99.00856	0.2
106.04227	0.3
107.05020	0.2
109.45044	0.1
110.34009	0.1
113.02470	0.5
119.05030	0.5
121.02964	0.4
133.02965	0.2
134.03749	100.0
135.04056	2.7
136.01663	0.4
137.02460	0.9
139.04045	0.3
147.04509	0.5
149.06088	49.2
150.06436	1.3
153.05655	0.2
178.02722	3.7
192.04282	0.7
193.05063	26.3
194.05453	0.8
267.08835	13.1
268.09134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.6
59.01376	1.2
63.56359	0.5
68.57531	0.5
69.03460	0.9
69.63163	0.6
70.04223	2.6
83.11844	0.5
85.06544	0.7
93.63790	0.5
95.05061	2.8
96.96004	0.8
97.06592	17.7
111.08187	0.6
113.09734	10.8
121.10282	0.6
124.54935	0.5
125.88443	0.5
133.89864	0.5
134.97710	0.7
139.07675	2.7
139.11247	1.4
143.07143	0.8
149.09729	4.1
151.07639	0.6
155.10841	1.9
157.08711	12.5
159.35004	0.5
167.10748	2.0
167.14386	0.7
169.08714	4.4
176.39899	0.7
221.19118	1.6
247.17020	5.7
265.18085	100.0
266.18402	7.0
271.74423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1446
Annotation	Rugosal A
Peak:m/z	Relative Intensity
52.61026	0.6
52.74721	0.5
53.63097	0.5
54.36598	0.5
57.03181	0.9
57.03453	15.7
59.01399	2.6
69.66970	3.2
71.05039	0.7
79.05526	3.4
80.96497	1.5
83.05035	4.2
85.02979	0.6
91.49695	0.6
95.05039	0.7
96.96030	0.8
97.06582	2.0
109.06634	0.8
119.08674	1.5
121.06588	2.2
123.96651	0.5
129.07133	1.2
137.02390	0.7
137.09734	2.0
145.10243	0.9
147.08124	0.9
151.11299	1.7
158.49051	0.5
163.11243	1.5
165.07092	1.7
169.10237	5.1
175.96568	0.5
177.12872	2.2
181.12379	1.6
185.13371	8.1
187.11333	1.7
203.14439	6.2
221.15364	0.6
223.09737	0.6
265.14450	100.0
266.14810	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	265.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
57.53029	1.6
59.01382	13.2
62.57800	1.2
71.01392	1.4
71.05023	12.9
83.05040	2.8
93.45342	1.1
94.71912	1.2
96.96028	3.7
97.06604	2.1
98.19875	4.4
115.14964	1.2
135.11716	1.4
144.24817	1.4
149.13350	3.1
161.13319	1.5
163.14885	3.6
181.12430	2.3
193.12370	2.3
195.13878	4.5
203.18060	8.4
207.13901	52.6
208.14294	2.5
247.17020	41.0
253.91078	1.3
265.14920	3.0
265.18079	100.0
266.18466	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	265.1809
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
59.01379	14.6
71.01371	2.1
71.05030	8.2
71.36860	1.2
71.37222	1.6
83.05036	1.9
89.93639	1.2
96.07301	1.4
96.95996	1.6
97.06611	2.0
100.97526	1.2
108.53331	1.2
111.98967	1.3
121.59998	1.4
129.05603	3.0
135.11797	1.5
149.13341	3.8
160.08174	1.5
162.66068	1.4
163.14894	5.6
174.84261	1.5
180.52008	1.4
193.12340	1.5
203.18048	11.6
207.13898	84.3
208.14174	3.3
229.51784	1.4
247.17038	63.6
248.17433	4.8
265.18085	100.0
266.18512	8.1
274.44653	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	265.1809
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
56.44498	2.0
59.01365	6.3
65.31044	1.7
70.98605	4.1
77.35760	1.9
80.09067	1.9
88.94633	1.8
95.05029	4.2
97.06591	13.2
121.10239	60.8
122.10544	2.6
125.06059	3.3
143.07144	88.9
144.07491	2.1
149.09734	2.7
149.13310	4.8
157.08707	3.9
161.82983	2.0
167.10797	20.6
195.10251	4.7
203.17987	12.4
221.19081	2.4
228.10002	2.1
234.46539	1.9
247.17044	65.5
248.17403	5.3
265.18076	100.0
266.18384	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	264.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	14.5
59.01376	4.3
71.01395	1.5
71.05045	1.4
71.59929	1.2
72.00904	6.1
79.05540	2.7
80.96519	5.0
81.81463	1.1
83.05035	4.2
86.06123	60.6
87.06459	1.3
91.05530	5.6
95.05015	1.1
96.95986	1.2
97.06583	1.7
97.59624	1.2
98.06126	6.1
107.05066	1.7
116.05072	22.1
119.08710	2.1
121.06605	2.7
127.24461	1.0
135.04533	1.8
147.04529	41.4
148.04854	1.9
151.11311	1.5
155.71797	1.0
161.09789	1.4
163.11281	2.4
164.07166	76.8
165.07523	2.3
169.10240	5.2
177.12843	2.1
181.12395	1.3
185.13370	7.8
187.11299	1.4
190.12434	1.4
203.14424	5.9
203.16096	1.1
221.11618	2.8
230.94221	1.1
234.11357	100.0
235.11760	4.1
264.10376	6.0
264.12473	86.8
265.10587	2.6
265.14502	85.9
276.12634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1195
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
55.01865	4.5
57.03439	4.6
58.00598	2.0
58.02967	3.4
59.01102	2.1
59.01387	37.7
61.98830	1.6
70.16791	4.5
70.17150	3.3
71.01388	53.0
72.00916	2.2
72.99270	2.1
73.02959	15.5
73.03664	2.7
73.04075	53.3
74.02461	4.6
82.02982	2.5
83.01401	8.9
84.04535	4.9
85.02959	26.4
87.00858	2.4
89.02446	9.6
95.01368	3.7
99.00883	5.8
99.05620	3.3
101.01778	2.3
101.02449	43.7
101.07220	10.9
109.04060	7.3
113.02454	23.0
119.03509	3.9
119.05014	8.6
123.35255	1.8
127.02710	1.6
127.05154	60.5
128.03542	9.3
129.01941	2.6
135.04515	4.8
137.02361	1.7
137.65829	1.9
138.61433	1.4
143.03490	1.8
147.04518	11.2
149.06122	2.9
150.29199	1.6
159.02974	5.1
159.04504	6.7
161.04553	24.4
162.03218	2.8
164.07175	26.7
175.04054	2.1
177.05554	7.6
190.08769	2.7
193.07573	1.5
200.69957	1.8
219.11473	2.1
220.67757	1.9
221.04599	5.0
221.09326	54.3
221.12869	5.6
222.09782	2.0
225.03358	1.6
247.10886	17.2
265.03604	12.7
265.11920	100.0
266.12222	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	263.2016
Annotation	Chabrolol A
Peak:m/z	Relative Intensity
57.03452	2.3
58.00601	4.5
59.01379	11.7
71.01384	3.6
71.60226	2.7
73.02955	22.6
74.10450	1.7
75.00847	2.4
76.80857	1.9
81.03442	2.2
83.05007	5.5
84.02170	4.7
85.02954	5.8
95.05041	4.0
97.06608	5.3
99.08099	2.2
101.03594	1.9
108.02186	6.2
111.08173	4.6
122.03745	24.0
124.01632	2.4
125.06077	4.0
127.07655	4.0
136.01639	3.6
139.07704	2.6
141.09224	2.0
192.90289	2.3
219.13869	3.6
219.17438	3.6
221.08278	3.6
227.17975	4.8
233.19089	5.3
235.16833	2.5
235.20720	4.8
243.17828	1.9
245.19141	23.2
246.19514	2.8
263.07648	3.4
263.13315	4.4
263.16522	100.0
263.20135	70.6
263.22922	3.2
264.13834	2.4
264.16711	9.2
264.20703	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	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01385	2.1
61.98804	0.5
69.33388	0.6
69.33792	2.7
71.01396	0.6
81.74516	0.4
84.19977	0.3
114.52398	0.4
127.50304	0.4
157.70067	0.4
161.06041	0.4
171.91064	0.6
219.21387	0.4
237.27959	0.3
245.19264	0.6
261.18643	0.9
263.20154	100.0
264.20502	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	263.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.1
59.01383	6.1
65.32932	0.6
69.03471	1.2
69.62973	0.5
71.31616	0.8
83.05032	1.8
84.13123	0.6
93.07117	1.1
95.04481	0.7
95.05038	7.5
97.06594	26.5
99.08150	0.6
111.08211	0.6
113.09715	2.9
116.34130	0.5
119.08668	0.8
121.10246	18.2
139.07668	2.4
141.05591	1.0
143.07207	0.6
147.08168	7.1
157.08714	10.2
162.33827	0.5
165.12849	5.4
169.08720	4.1
181.08681	2.2
183.10263	1.2
195.10316	0.7
201.16496	1.7
205.12283	0.6
214.25217	0.5
219.17514	4.5
238.78110	0.5
245.15555	3.1
263.16525	100.0
264.16925	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	263.1651
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
50.63529	0.9
57.03443	2.7
57.06689	0.8
57.93898	0.8
59.01379	10.8
67.01891	1.2
69.03441	1.7
70.01464	1.6
70.01862	2.7
71.01388	1.6
71.05019	1.1
81.03434	1.0
83.05019	2.3
85.02983	1.2
93.03473	1.7
95.05029	1.4
97.06579	1.6
98.19928	1.2
111.08166	6.4
121.06583	3.3
123.08191	8.1
125.06073	3.5
133.02898	1.2
135.08136	1.1
137.09726	7.7
139.11311	2.2
141.54625	0.9
147.08263	1.4
149.09746	1.9
165.12869	7.6
167.10782	1.3
191.14456	1.7
219.13881	2.1
219.17535	13.4
221.08243	1.8
245.15553	3.7
263.09265	2.3
263.12866	5.0
263.16516	100.0
264.16782	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	263.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45629	1.4
57.03449	3.2
57.57139	1.5
58.00591	4.1
59.01388	9.6
61.05576	1.6
65.74372	1.8
69.03431	1.7
69.64812	7.6
69.65232	3.7
71.01380	3.1
73.02953	23.5
84.02148	3.6
85.02931	2.4
88.18065	1.7
93.95334	1.7
97.06586	5.7
98.19933	2.4
101.02430	3.8
107.05067	2.1
108.02162	7.1
111.08155	3.5
113.02496	1.8
113.06089	2.6
122.03726	25.6
125.05988	2.1
136.01659	3.3
139.07625	3.5
149.09691	1.9
219.13863	2.7
219.17473	2.3
221.08191	4.8
227.18018	5.4
232.89146	1.8
233.19049	3.5
235.20638	4.8
245.19122	26.3
263.13037	5.5
263.16486	100.0
263.20102	58.7
263.22913	3.2
264.16760	5.9
264.20383	3.3
277.41553	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
57.03469	0.7
59.01385	12.3
61.98838	0.9
69.03465	0.8
69.34437	7.5
71.01398	1.1
71.05025	80.7
83.05015	1.8
85.03008	0.8
96.57847	0.9
97.06597	30.1
98.19926	1.7
107.05063	0.8
111.08144	1.7
123.08178	5.5
129.09271	0.9
135.11772	6.8
137.09766	1.0
147.06752	0.9
147.08087	1.2
147.11786	2.7
153.09229	0.9
161.06143	1.1
161.09703	1.1
163.11351	0.8
165.12872	2.7
167.10735	0.8
179.10829	3.4
191.10806	6.4
201.16498	0.8
206.09457	1.2
207.13939	3.7
217.16048	1.2
219.17538	15.7
221.08212	1.5
245.15459	2.3
263.16519	100.0
264.16946	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	263.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.8
58.02314	0.5
59.01381	7.2
59.65453	0.6
61.98816	0.8
63.45288	0.6
65.77853	0.6
67.01889	1.3
69.03453	1.5
69.81670	2.5
71.01369	1.0
71.05021	1.4
81.86326	0.5
83.05030	2.3
86.57883	0.5
87.85236	0.6
93.03469	1.3
93.07070	0.6
95.05027	3.7
97.06599	1.6
107.04997	0.9
107.08654	1.0
111.08165	26.2
112.08510	1.3
113.02489	0.6
119.04981	0.6
121.06602	0.8
123.08150	2.2
125.09729	1.8
133.03040	0.7
135.08125	1.1
137.09726	8.1
139.07629	0.6
147.08148	0.8
149.09738	7.3
151.07689	0.9
151.11293	1.2
161.06114	0.8
161.09691	0.7
165.12816	1.8
167.10797	3.9
219.02980	0.6
219.14084	1.2
219.17542	18.1
220.18047	0.6
221.08163	1.5
243.75175	0.6
245.15482	3.2
262.98761	0.8
263.16507	100.0
264.16870	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	263.1288
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
57.03458	3.0
59.01386	19.1
69.33511	25.5
71.01365	4.3
75.31710	2.2
79.01890	3.5
83.05022	7.4
85.02954	4.2
95.05045	3.4
97.02949	9.0
97.06611	4.5
105.07152	2.8
108.05835	6.8
109.02972	6.9
109.06628	3.2
111.04547	20.7
111.08151	3.1
113.06104	11.5
116.05079	5.1
119.08676	7.3
121.06560	6.2
122.03774	16.3
123.08168	9.7
125.06087	21.8
135.08182	4.8
136.05305	20.5
137.06075	5.0
138.06889	24.1
139.07648	44.9
148.05315	9.2
149.06129	3.7
151.00380	5.0
151.07658	79.2
152.04791	7.4
152.08452	53.4
153.09250	13.2
159.11784	7.2
161.09685	8.5
163.07613	17.4
166.06412	4.0
167.07173	5.8
185.09755	3.7
188.08499	4.2
189.09206	8.4
191.10725	3.0
194.05832	7.6
198.05312	7.8
201.12881	36.6
202.13156	2.7
203.10785	37.3
204.11549	78.1
205.12010	2.8
219.13902	100.0
220.14297	4.3
245.58493	2.6
263.12897	33.7
264.10361	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	263.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73177	0.6
57.03460	3.7
59.01380	8.8
69.03457	1.4
69.57401	3.3
69.57810	1.3
83.05049	2.2
95.05024	7.4
97.06601	21.7
101.80183	0.7
107.05077	0.7
111.08170	7.2
113.02467	1.5
113.09737	2.6
116.05093	1.8
117.64635	0.7
119.08688	1.0
121.10246	14.4
128.29401	0.7
133.06581	0.8
135.08197	0.6
136.67905	0.7
137.09756	1.5
137.84996	0.8
139.07640	2.0
145.02951	1.0
147.08167	5.2
149.09686	2.0
157.08693	10.7
165.12811	4.5
169.08755	3.5
181.08699	1.8
183.10204	1.3
191.14510	0.9
195.10207	1.4
201.12962	0.7
201.16573	2.1
219.10260	0.7
219.13951	1.3
219.17555	8.0
227.14551	0.7
235.17027	1.9
245.15388	4.2
257.68243	0.6
263.09183	2.4
263.16528	100.0
264.10352	1.3
264.16815	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	263.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23255	0.4
55.10908	0.4
59.01383	23.3
61.65104	0.4
71.17374	0.9
72.54645	0.4
80.02689	0.6
96.05172	0.5
97.06606	0.8
99.73038	0.5
106.04272	0.5
113.06100	0.6
119.05047	0.7
120.05809	0.8
130.38499	0.6
135.08150	0.8
147.08159	1.2
148.08955	3.6
149.09717	1.2
151.11275	1.7
154.46512	0.4
163.11288	6.8
165.12856	34.8
166.13275	1.6
177.12949	0.6
181.29317	0.5
189.11342	0.5
189.12784	2.7
191.14421	13.3
192.14606	0.5
217.15955	0.7
219.17542	12.0
220.17766	1.1
222.01421	0.5
226.64879	0.5
227.14482	0.7
245.15466	5.2
263.16519	100.0
264.16879	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	261.1132
Annotation	Parthenin
Peak:m/z	Relative Intensity
56.64339	0.4
59.01382	0.5
69.87794	1.2
69.88200	0.7
70.96516	0.4
71.01389	0.5
76.60867	0.5
98.19967	0.5
99.15064	0.4
99.25859	0.4
107.05054	1.2
109.06602	1.8
112.61335	0.4
115.92106	1.0
116.05091	0.6
121.06681	0.5
123.04562	0.7
123.25341	0.4
125.09724	0.9
132.04587	2.6
133.02988	0.5
134.07391	1.2
136.15160	0.4
136.64621	0.4
145.06703	0.4
149.06102	0.9
160.08917	0.9
161.06096	2.1
162.06889	7.0
164.43506	0.4
169.11664	0.5
173.02461	1.1
173.06111	1.3
174.93399	0.9
181.53876	0.5
185.02463	0.4
187.03842	0.5
189.09233	0.9
191.03441	0.5
197.90282	0.6
198.44916	0.5
199.11278	1.1
201.05585	0.9
202.09978	1.1
206.05853	3.8
214.92885	1.1
215.10858	0.8
217.05164	2.7
217.08804	2.0
217.12328	7.6
217.15970	1.2
225.09213	1.2
225.12685	0.4
229.78833	0.4
235.17061	2.4
238.04842	8.7
243.10266	0.8
246.08806	0.6
261.11319	100.0
261.22134	2.4
262.11667	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	263.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63023	0.8
59.64061	0.8
69.50661	4.3
71.01389	26.7
77.78956	0.8
99.85490	0.7
103.05561	0.9
115.00380	8.2
118.97720	0.8
119.05052	0.9
147.04530	100.0
148.04858	2.6
204.57896	0.9
221.08162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.9
69.81617	2.4
69.82026	1.8
71.01382	13.4
79.95774	1.2
101.02453	1.3
101.19125	0.7
103.05553	1.2
104.03562	1.0
109.33645	0.9
113.02525	0.8
115.00388	6.4
116.05070	2.0
118.95737	0.7
119.05065	1.8
122.75114	0.7
136.05333	0.8
147.04535	100.0
148.04916	3.4
163.07639	0.7
175.07658	0.8
181.89389	0.7
185.43405	0.7
194.23775	0.8
201.12830	1.3
203.10826	1.8
204.11560	4.6
219.10370	0.8
219.13939	2.4
263.09457	2.1
263.12943	7.6
264.10248	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
66.70325	0.6
69.48847	3.3
69.49268	1.7
73.02964	1.2
85.82919	0.6
116.05067	14.9
150.08199	0.6
161.78000	0.7
216.01180	0.7
216.18636	0.7
219.10027	0.7
264.10318	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	261.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33420	1.2
56.21432	1.1
57.21720	1.1
59.01379	2.9
59.26789	1.2
61.98809	1.6
69.64120	7.1
71.01379	2.1
76.77708	1.3
79.10110	1.1
89.95110	1.5
91.04339	1.2
92.05062	53.9
93.03442	1.9
95.15892	1.4
98.20603	2.7
102.03429	1.4
110.98666	1.3
115.92093	2.5
118.03008	18.9
118.98088	1.4
120.04554	11.0
123.04578	1.7
125.09737	1.6
129.29829	1.2
131.03812	9.7
132.04561	100.0
133.04878	2.1
134.89598	1.3
136.04013	1.5
146.02481	3.3
163.11336	1.3
167.24203	1.3
173.05927	1.7
197.90167	1.8
199.11255	1.4
201.05574	2.7
202.09969	2.2
214.92975	2.9
217.12332	5.8
217.15936	2.4
244.33125	1.4
261.07892	2.9
261.11176	19.7
261.14725	7.9
261.22208	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	261.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68952	0.4
57.56598	0.5
57.97539	0.4
70.56802	1.4
71.01385	0.9
85.37634	0.5
87.00858	0.5
97.06613	1.0
115.92128	0.8
116.05069	23.4
117.05412	1.0
119.08658	3.7
123.04563	0.6
125.09735	0.8
131.03804	2.4
132.04561	100.0
133.04924	3.0
144.04559	4.9
173.06047	0.6
197.90196	0.8
201.05573	1.0
209.45439	0.5
211.13371	6.5
214.92957	0.9
217.12367	1.3
261.03922	0.5
261.07883	0.8
261.11230	4.3
261.14862	3.8
261.17450	0.5
261.19495	0.5
261.22192	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	261.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	12.8
58.99572	2.6
59.01347	4.2
68.69814	1.9
71.01354	3.2
71.60328	3.3
72.04539	2.1
74.02476	33.9
80.05041	2.3
81.89976	1.9
82.02987	11.5
83.01362	5.6
83.04989	3.8
84.00852	2.9
85.04090	2.6
86.06090	3.3
87.05165	2.7
87.05637	34.5
90.00178	2.6
93.03438	6.1
94.06611	2.5
96.04001	2.3
96.04544	18.7
97.04082	15.9
98.02433	5.8
99.05639	26.7
100.00359	4.4
101.02406	4.0
108.04579	9.7
109.03989	2.4
110.02446	4.0
112.04049	22.2
112.07695	15.3
113.03577	11.9
114.05575	2.3
116.01780	2.7
117.02767	2.8
117.03475	33.9
119.05031	70.5
120.05277	2.9
122.03626	2.0
122.06039	5.9
124.04073	10.2
125.03539	3.0
125.04781	4.5
126.05553	2.9
127.05130	15.9
129.03410	6.3
130.04213	3.5
131.04520	3.3
133.04356	2.7
135.04425	2.7
137.07152	8.0
138.05577	2.7
140.06235	2.5
140.07170	24.2
142.03249	2.1
143.04688	7.5
143.08176	2.8
145.02864	8.2
145.06595	27.8
147.04448	4.0
152.03441	5.5
153.06677	3.4
155.04935	4.0
155.08282	39.7
160.00787	2.5
163.03989	18.7
163.11240	2.9
165.06689	29.3
166.04999	3.6
169.06082	5.8
172.05283	3.1
173.06096	70.5
174.06284	2.9
177.03339	3.8
183.07742	54.9
185.88770	2.1
186.02168	1.9
189.05492	2.4
197.05605	3.5
199.03894	7.3
209.05443	2.3
215.06564	6.4
217.05060	41.4
217.12193	3.1
217.15800	8.9
225.04987	3.6
227.06734	59.1
228.07082	2.4
228.11401	3.7
234.64967	2.5
243.13905	2.7
244.64217	2.0
261.03864	100.0
261.11246	4.2
261.14774	20.8
261.22076	7.9
262.04120	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	260.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34193	1.2
53.95956	1.1
55.60862	1.2
57.97551	2.3
59.01376	5.3
68.05062	2.1
71.01392	3.9
71.59600	1.8
74.02503	2.2
84.08185	14.9
85.02956	7.4
86.02495	3.0
87.00878	1.4
87.02747	22.5
87.05673	1.7
87.78703	1.1
88.04051	2.7
88.81880	1.2
90.29738	1.0
98.41364	1.1
99.57355	1.0
106.41518	1.1
114.05617	1.6
117.03486	2.3
119.05030	5.1
120.01263	100.0
121.01560	1.4
121.40491	1.1
127.05899	7.5
128.07172	4.7
129.07455	15.8
132.04521	2.0
134.47026	1.0
136.11322	2.7
138.12898	63.4
139.07707	5.6
139.13213	2.1
141.06715	2.1
158.06122	1.8
161.06067	2.2
163.04062	2.4
172.11638	6.2
173.06084	6.3
179.13065	1.2
179.29572	1.1
182.11870	12.9
184.04047	1.2
216.10634	33.7
217.05046	4.8
242.07922	4.0
260.05658	2.5
260.09613	47.2
260.12027	2.8
261.04013	8.6
261.09891	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	258.1459
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
57.97537	0.8
58.02979	6.9
59.01379	1.1
70.02984	9.4
70.13122	2.0
71.01376	2.2
72.00918	0.9
73.04068	1.6
74.02486	4.6
78.95926	5.5
82.02979	3.1
84.04539	0.9
87.00870	0.9
88.04046	9.3
89.83041	0.7
96.96004	1.0
96.96986	4.0
98.19912	0.8
99.79847	0.7
101.07226	2.6
102.05624	1.5
110.02467	2.1
110.68153	0.7
114.09247	1.4
115.00347	1.0
116.42415	0.8
126.09373	0.8
127.05148	3.6
128.03510	3.3
129.10364	0.7
130.08748	81.8
131.09090	1.6
135.04532	1.1
139.08784	0.9
140.07117	0.6
141.10359	2.5
142.99899	0.7
143.11911	10.2
145.06219	1.2
146.04698	0.9
155.11919	2.7
169.09842	3.4
171.15009	1.0
173.00931	1.7
175.02498	2.0
183.11398	1.9
196.14577	9.2
197.12961	12.5
213.08998	0.8
214.15601	5.3
214.19202	1.5
241.11932	9.1
258.14587	100.0
258.18079	5.0
259.02237	1.0
259.09760	0.9
259.12717	1.8
259.15356	3.6
259.17542	0.6
259.18097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01903	1.5
55.01860	1.7
57.03452	1.3
59.01390	1.0
61.98836	7.2
63.89587	1.0
66.03481	3.4
68.01417	8.3
68.05062	1.3
69.03477	1.8
70.02979	32.6
70.34883	3.9
71.01382	7.4
71.02501	2.0
72.00913	75.8
72.98981	1.4
72.99315	14.7
73.02960	6.9
78.91872	2.4
80.05063	3.1
81.03469	1.6
82.02986	12.9
83.01407	1.7
83.05033	2.6
83.74350	1.0
84.04552	2.9
85.02932	2.1
86.02492	14.1
87.00893	1.6
88.04044	3.4
93.03434	1.1
94.02979	8.5
94.06650	2.6
95.05025	2.6
96.00905	5.1
96.04563	34.8
97.02938	2.9
97.04060	2.3
98.02485	35.8
98.06123	3.1
99.00888	14.6
100.04062	9.8
106.06644	10.8
107.03765	5.2
107.05044	3.8
107.18113	1.0
108.04581	11.0
108.08250	1.0
110.02462	2.1
110.06121	3.2
111.00886	1.9
112.04058	3.4
112.98817	2.8
113.03581	5.1
115.00359	1.3
115.05121	8.6
116.03545	9.1
118.06624	1.4
120.04583	3.7
122.06124	11.5
123.03269	1.7
124.04034	10.1
124.07698	16.7
125.03613	2.5
128.03560	8.8
133.01460	1.5
134.06117	5.6
135.03259	1.5
135.04648	1.1
135.05644	1.3
136.04059	7.2
136.07692	1.5
137.07147	1.4
138.05618	13.0
139.08783	3.0
140.07195	4.3
142.01494	2.2
143.04631	19.1
144.03032	100.0
145.03445	2.0
149.07164	7.1
150.05623	24.1
151.08847	1.3
152.07162	4.3
153.06711	3.0
154.05156	5.1
161.05690	8.0
161.07193	2.9
161.91495	1.0
162.05617	3.9
163.54575	1.2
166.05069	1.7
167.08270	24.7
168.06700	8.3
170.08273	1.8
171.04123	1.4
172.06172	2.9
174.01299	2.8
179.08286	15.0
180.06688	11.0
185.09335	1.3
188.09219	1.8
194.04619	3.2
197.09314	15.1
206.04546	2.4
211.07224	3.5
215.10277	1.7
223.07237	2.2
224.05653	8.3
229.08228	2.0
241.08307	82.5
242.06773	4.0
242.08894	1.3
259.09351	87.1
260.09802	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	258.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.7
59.01374	1.8
66.72802	1.1
67.01911	1.3
68.99821	3.1
70.78950	2.4
70.79320	2.1
71.01389	9.0
72.99321	2.2
73.02953	3.4
83.01380	8.7
85.02942	1.9
87.00888	3.9
99.00882	15.7
101.02396	1.3
106.47330	1.0
111.00212	0.7
111.00885	40.2
116.05070	100.0
116.07205	3.0
117.05406	4.4
123.00901	5.9
128.01106	1.5
128.05074	6.0
129.01994	2.6
130.06630	20.5
136.07690	2.2
140.05054	2.2
141.01971	6.0
142.06639	15.6
144.04556	1.5
146.06146	12.0
154.06651	2.2
156.04575	10.5
156.08192	9.4
157.05331	9.6
158.06097	7.7
166.06615	2.7
168.08188	4.2
169.05302	1.7
170.06099	6.2
172.04034	2.8
172.07697	12.6
181.05383	1.1
182.06099	3.0
184.06044	1.8
184.07672	23.7
186.05682	3.7
194.06117	6.8
196.07703	2.8
198.05600	1.3
200.07172	20.4
208.26353	1.1
210.05588	2.2
212.07117	9.4
228.06660	29.2
229.07011	1.7
240.06656	18.1
254.43420	1.1
258.07687	14.3
258.10153	2.0
258.13425	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35680	0.3
56.42838	0.3
57.97565	0.7
59.01375	0.8
62.61655	0.3
64.94576	0.3
70.83440	0.5
71.01386	6.9
72.99312	0.3
73.02950	9.4
74.99385	1.2
82.02958	0.3
89.00930	0.3
95.95245	0.7
96.96033	2.5
98.95601	0.5
99.00871	1.2
110.02495	0.3
110.99426	0.4
113.00964	1.8
117.00539	2.7
117.01946	13.4
124.04095	0.3
128.03551	0.4
129.00446	6.3
131.02011	54.6
132.02116	3.3
139.00140	0.4
141.04099	0.6
145.03662	0.4
156.99934	100.0
158.00066	5.4
167.04623	2.0
169.03593	0.8
185.03046	2.4
187.04633	5.7
188.04755	0.3
195.01503	0.5
213.02469	0.4
215.00507	0.4
239.00533	1.3
256.23593	2.8
257.01541	7.6
257.24039	0.7
258.01755	0.7
258.06253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86465	0.4
51.86039	0.4
55.01868	0.5
56.53309	0.3
57.97562	1.4
59.01379	0.4
61.98833	13.5
63.99287	0.3
65.39507	0.4
71.01383	7.3
71.58464	0.6
72.99291	0.6
73.02950	39.2
73.10703	0.3
74.03308	0.5
77.63273	0.3
78.95905	1.4
78.98608	0.6
87.19733	0.3
95.95248	0.6
96.96030	0.8
97.05138	0.3
99.00890	7.9
110.06097	0.4
114.01950	0.5
117.01945	100.0
118.02299	1.6
124.98814	2.3
131.02008	4.4
133.02977	1.1
137.98898	0.4
139.00095	1.9
142.99864	3.7
145.06177	0.4
156.99915	7.5
173.00925	12.3
177.01973	0.8
182.97011	0.8
184.00182	3.0
197.05682	0.4
198.04204	0.5
231.18777	0.4
233.73961	0.4
256.23666	0.7
257.03207	3.3
257.07959	0.7
258.06055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0821
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
51.93531	0.3
58.84051	0.3
69.48825	2.8
98.20615	0.5
114.55589	0.3
124.01609	0.4
146.03755	0.7
157.06606	0.8
159.04507	2.5
160.05307	1.1
167.05057	1.0
170.03748	0.4
171.04507	2.7
172.05315	2.7
174.03218	4.2
180.05801	1.0
181.06586	2.1
183.04509	6.4
183.10257	0.5
184.05302	16.9
185.06068	7.6
185.09691	1.4
186.06589	0.4
187.04010	29.2
187.16487	0.4
188.04695	2.6
195.08141	1.9
196.05296	1.6
197.06081	31.8
198.06839	12.7
199.07314	0.6
200.04790	1.3
211.07648	2.4
212.08218	0.7
213.09216	100.0
214.09570	6.0
215.03467	1.0
231.10257	50.4
232.10631	3.6
241.05049	0.5
257.08197	32.4
258.08521	1.9
260.82864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.9956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00126	0.2
53.67167	0.2
70.80243	0.5
79.95744	7.2
79.96190	0.5
80.96508	0.3
95.94779	0.3
95.95240	12.7
96.96016	100.0
106.22281	0.3
139.73035	0.3
150.01028	0.3
183.03642	0.3
183.69270	0.3
255.20605	0.7
255.23296	11.7
255.99551	26.0
256.23602	6.3
256.99841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2174
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
56.27264	8.0
59.00477	6.5
69.71368	43.7
90.59354	7.7
98.20303	21.5
123.43129	7.3
152.42845	6.3
198.35439	7.1
213.46959	7.0
217.37314	7.3
222.38150	7.3
253.21733	100.0
253.28986	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	254.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74199	1.5
61.98833	100.0
69.99529	6.2
85.07723	1.3
105.14080	1.4
105.58083	1.4
142.99892	1.8
161.60875	1.3
189.17014	1.5
252.84355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.9779
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81794	0.2
71.27050	0.6
79.95744	5.9
80.96548	0.4
95.95239	100.0
96.96020	15.8
96.96654	0.5
101.27092	0.2
114.46962	0.3
122.97564	0.3
127.92430	0.3
178.98441	0.6
219.14296	0.3
255.23293	3.9
255.97783	23.3
256.23691	1.7
256.98010	0.6
257.97012	0.3
259.22592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	14.7
58.00583	9.5
58.61097	3.9
59.01380	86.8
61.98838	5.2
63.83688	3.1
69.03455	11.2
70.95994	9.9
71.01375	12.4
73.02960	4.7
78.44628	3.1
79.95734	4.7
83.05044	7.6
85.02943	3.2
89.02434	3.7
95.05039	5.5
97.02953	4.7
97.06599	20.4
101.02447	5.8
109.06599	14.5
110.47514	3.0
111.08166	78.9
113.06071	5.1
121.06620	7.4
125.06087	7.3
127.07656	9.3
135.08167	10.3
137.06084	11.2
139.07663	12.6
141.05588	100.0
142.05869	3.4
143.07144	18.3
149.09662	3.6
155.07126	24.5
155.10774	3.4
173.13390	15.2
191.14452	21.7
205.08539	3.3
207.13885	15.2
207.46925	3.5
208.59151	3.0
209.11774	3.9
235.13370	18.4
253.09152	4.8
253.14453	45.8
253.21706	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	253.1447
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
57.03437	14.7
58.00583	9.5
58.61097	3.9
59.01380	86.8
61.98838	5.2
63.83688	3.1
69.03455	11.2
70.95994	9.9
71.01375	12.4
73.02960	4.7
78.44628	3.1
79.95734	4.7
83.05044	7.6
85.02943	3.2
89.02434	3.7
95.05039	5.5
97.02953	4.7
97.06599	20.4
101.02447	5.8
109.06599	14.5
110.47514	3.0
111.08166	78.9
113.06071	5.1
121.06620	7.4
125.06087	7.3
127.07656	9.3
135.08167	10.3
137.06084	11.2
139.07663	12.6
141.05588	100.0
142.05869	3.4
143.07144	18.3
149.09662	3.6
155.07126	24.5
155.10774	3.4
173.13390	15.2
191.14452	21.7
205.08539	3.3
207.13885	15.2
207.46925	3.5
208.59151	3.0
209.11774	3.9
235.13370	18.4
253.09152	4.8
253.14453	45.8
253.21706	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	253.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.6
70.08831	2.3
71.01386	18.7
72.48685	0.6
77.71461	0.6
85.02941	1.6
89.02431	2.7
93.03462	44.9
101.02456	2.7
112.29311	0.6
113.02466	2.4
115.00367	10.6
118.18290	0.6
119.03492	0.9
121.02994	0.6
125.76982	0.5
133.01433	1.8
133.58304	0.7
135.04460	0.7
137.02451	100.0
138.02829	3.0
138.05591	1.3
140.56093	0.6
147.04504	0.7
150.05640	1.0
151.04147	0.6
161.04594	1.2
193.07208	0.9
253.09111	4.3
253.14577	0.9
253.21793	2.0
254.22510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1655
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03435	1.3
57.32952	0.5
59.01370	1.6
61.98832	1.8
67.85229	0.5
70.01337	1.5
70.01727	1.1
71.01371	0.8
82.43247	0.5
93.58107	0.5
97.06592	1.5
98.20488	0.8
99.08166	2.2
99.75761	0.5
107.05020	2.9
123.08186	1.4
125.09727	7.1
137.09721	0.6
154.05345	0.7
163.00378	0.8
178.85878	0.7
196.11337	1.2
207.17519	3.0
223.17027	3.2
224.10754	3.5
233.15501	2.6
251.16544	100.0
252.16827	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	251.1653
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03447	1.0
59.01386	2.5
61.14145	0.4
61.98850	0.8
62.56906	0.5
69.03436	0.6
70.92043	0.6
71.01394	1.3
71.15670	1.2
85.02961	0.6
86.40410	0.6
91.01904	0.6
96.96027	0.6
97.06593	2.5
99.08163	4.9
101.02450	1.1
107.05046	2.3
123.08175	1.1
125.09727	7.7
148.23705	0.5
153.09308	0.5
159.86037	1.0
177.94389	0.6
196.11255	0.6
205.16113	1.0
205.85222	0.5
207.17564	4.1
223.17056	7.4
224.10802	0.7
233.15517	6.1
251.16544	100.0
252.16904	7.4
265.79764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2017
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01372	1.4
59.54719	0.4
64.79200	0.4
67.07166	0.4
69.62035	1.9
81.52676	0.5
83.05055	0.4
84.55247	0.4
91.27587	0.4
93.80301	0.4
106.61185	0.4
124.53519	0.4
233.19160	1.1
251.20161	100.0
252.20474	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	251.1038
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
59.01377	1.2
61.98830	2.9
68.75115	0.7
71.01367	1.1
71.02523	1.7
71.59060	0.8
72.00913	2.2
73.04077	100.0
74.02469	2.2
75.57304	0.8
91.05560	1.7
99.02028	1.5
101.02459	0.9
103.05152	3.9
119.05145	1.1
133.02960	1.0
134.90216	0.7
135.04538	11.3
147.03476	1.4
147.04544	16.1
152.74678	0.8
161.02475	1.3
164.07179	24.3
164.08560	1.6
165.07593	1.2
177.05641	1.0
179.03575	1.0
189.05588	1.3
221.09319	47.6
222.09630	2.9
222.16469	0.8
233.09248	1.6
234.04727	0.8
251.06070	1.9
251.10400	47.6
251.14809	2.9
252.10649	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	251.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24921	1.3
54.90045	1.3
55.01883	10.0
57.03449	6.6
58.00599	3.4
59.01382	61.1
61.98834	13.9
70.26622	1.4
70.85268	3.0
70.85606	2.4
71.01384	100.0
72.00942	1.3
72.01691	1.4
72.99309	5.9
73.02952	32.3
73.04076	3.7
74.02473	7.5
75.00866	2.1
78.95918	3.3
83.01390	20.0
85.02958	49.2
85.04063	10.1
87.00877	5.2
87.04532	2.5
89.02451	18.7
95.01405	7.7
97.02958	2.6
97.04060	5.7
99.00879	13.3
101.02444	84.5
102.02768	1.6
104.03512	1.9
109.02967	1.4
111.02025	3.3
113.02455	42.2
119.03499	5.1
125.02436	2.1
129.01955	2.6
132.71992	1.4
134.02347	1.4
135.03134	3.9
135.04512	15.9
136.03970	1.7
143.03491	5.1
147.04512	3.0
159.03015	8.7
161.04564	39.6
164.07182	5.7
172.07671	1.8
177.02879	4.0
178.03711	13.6
189.10367	3.0
203.08252	1.7
221.09320	33.4
251.05637	1.7
251.10793	23.7
251.14879	4.1
252.07433	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	249.186
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01377	2.8
59.46040	0.6
70.03057	2.5
81.19982	0.6
81.27711	0.6
84.06897	0.6
164.37549	0.6
179.39296	0.5
205.19637	1.9
215.29173	0.8
231.17540	1.5
244.82904	0.7
247.17026	0.9
249.18597	100.0
250.18968	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	249.1861
Annotation	roughanic acid
Peak:m/z	Relative Intensity
55.33594	0.5
59.01382	3.7
61.82030	0.5
61.98846	0.8
65.80852	0.7
70.11987	2.5
75.32961	0.5
81.73764	0.6
83.05069	0.7
87.53628	0.6
90.30722	0.6
117.03513	0.7
129.04393	0.6
130.67921	0.7
161.02377	0.7
164.74060	0.6
184.00165	0.8
184.50330	2.5
185.00020	2.2
191.05652	6.8
205.19527	1.8
231.17497	1.8
233.10423	3.1
247.16910	0.6
248.58142	3.9
249.07887	2.2
249.13223	4.7
249.18596	100.0
250.14435	2.4
250.18927	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	249.186
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01377	4.4
61.98830	1.0
71.60094	1.4
72.58480	0.9
82.14510	0.9
83.97237	0.8
85.13057	0.9
99.44102	0.9
106.51532	1.0
117.16911	0.8
177.02025	0.9
178.18245	0.8
184.00278	1.0
204.78716	0.9
205.01373	1.5
205.19533	1.3
248.97238	1.4
249.07689	1.3
249.11351	2.3
249.15015	4.2
249.18596	100.0
250.14542	10.3
250.18842	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	249.1861
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.64639	0.8
59.01382	5.1
60.36380	0.9
61.98808	2.8
69.79001	2.2
69.79417	3.2
71.11032	0.8
72.63759	1.0
82.23101	0.9
83.05043	1.5
98.20630	0.9
116.92905	0.9
168.26622	0.8
177.42674	0.9
184.50327	1.5
192.07895	1.9
205.01443	1.2
205.12358	1.0
205.15938	2.1
205.19638	1.9
231.17650	1.3
234.01723	1.9
248.58179	1.5
248.97298	1.3
249.00246	1.3
249.04082	1.1
249.07869	2.9
249.11430	3.3
249.15077	8.4
249.18610	100.0
250.14523	12.4
250.18834	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	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.23761	0.3
59.01385	3.9
67.45532	0.4
68.30370	0.3
71.59586	0.5
76.49270	0.4
83.05024	0.4
105.03881	0.3
177.16496	0.4
205.19568	1.7
231.17566	1.0
247.17120	0.4
249.18599	100.0
250.14655	0.6
250.18939	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	249.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.4
59.01385	4.8
61.98829	1.1
63.02678	0.3
69.31396	1.2
69.31821	1.5
79.95751	1.2
83.05030	0.5
83.78529	0.3
86.84933	0.2
99.04528	0.5
117.03418	0.5
144.56850	0.3
149.09686	0.3
161.02361	0.3
177.16432	0.6
178.36732	0.3
182.28860	0.4
184.50496	0.3
187.11403	0.3
187.14977	0.5
195.23601	0.3
205.01457	0.5
205.15959	1.3
205.19591	1.8
231.17584	1.3
234.01723	0.4
247.16998	0.6
248.58191	0.4
248.97200	0.5
249.00423	0.3
249.07828	1.2
249.15048	5.3
249.18599	100.0
250.14610	3.8
250.18927	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	249.1497
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
50.38840	0.5
53.27018	0.4
55.88918	0.5
59.01369	1.1
71.60257	0.6
73.02951	0.7
79.05507	0.5
83.05040	1.8
90.37303	0.5
97.06591	1.8
107.05006	0.6
108.38120	0.5
109.02914	0.5
117.03486	1.1
119.08681	0.8
121.02967	0.9
121.06576	0.8
133.06589	0.7
134.07375	1.3
137.06049	0.5
137.09726	2.0
149.09688	1.4
161.02510	0.6
161.13420	2.8
171.11758	0.9
187.14944	18.7
188.15393	0.9
203.14372	0.6
205.01419	0.9
205.08746	0.7
205.12372	2.0
205.15985	10.3
234.01814	0.5
248.97278	0.7
249.14961	100.0
250.14952	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	249.1497
Annotation	Sch 601254
Peak:m/z	Relative Intensity
54.78770	2.5
57.03450	5.6
58.44106	2.5
59.01375	10.9
61.98840	5.7
66.03125	2.2
69.03458	29.0
71.59802	4.1
73.02966	3.6
73.34711	2.2
83.05050	3.9
90.43511	2.8
95.05051	3.3
97.06613	2.8
133.03012	2.6
133.45171	2.5
161.02386	4.9
193.12306	5.0
205.01466	3.5
205.08597	3.3
205.12354	10.8
205.15953	15.4
205.56540	2.5
221.15475	17.8
228.34479	2.8
231.13876	32.9
234.01764	3.3
248.97084	3.2
249.00365	2.6
249.04036	3.2
249.07628	4.3
249.11467	15.0
249.14978	100.0
249.18546	9.9
250.14491	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0406
Annotation	2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
59.01380	1.5
62.32000	1.1
71.01385	4.4
71.60298	1.2
85.02950	0.9
92.28408	0.9
109.02961	48.5
110.03333	1.5
115.00364	1.0
115.05517	1.0
117.82599	0.9
119.05024	3.0
119.36987	1.2
121.02970	3.1
122.03765	10.4
124.01675	1.7
129.03496	2.7
130.04247	1.4
133.02974	5.4
133.06606	1.6
134.03723	1.5
135.04503	2.4
137.02486	2.5
143.05020	3.7
145.02994	2.1
146.03746	20.4
147.04549	16.6
149.06070	5.0
154.02682	1.4
158.03745	2.8
159.04523	27.2
160.05182	3.5
161.06094	100.0
162.03310	1.2
162.06438	4.5
163.03976	1.6
174.03267	1.4
175.03999	14.5
176.04837	5.0
177.02005	1.0
177.05595	9.5
177.09186	4.1
187.03995	3.5
187.07605	1.4
193.05106	1.4
202.06374	1.3
203.03516	26.2
204.04056	1.4
205.05063	18.3
205.08797	5.3
221.04567	1.5
231.06593	1.5
231.10310	1.8
234.01709	2.0
249.04013	16.8
249.07742	2.6
249.11349	7.2
249.14900	3.5
249.18587	3.7
250.07129	1.5
250.14487	5.5
267.05081	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.7
61.98830	2.9
69.03478	2.6
71.01406	2.0
71.32149	2.5
73.02946	2.6
81.50574	1.7
97.78696	1.8
99.04515	2.2
119.46195	1.8
122.21407	1.8
123.04527	2.5
127.07639	4.6
151.11340	2.8
161.13403	4.0
181.12363	20.7
187.15002	3.2
189.05658	2.1
197.11766	2.0
201.08910	2.5
203.10527	7.3
205.08647	3.3
205.12335	5.9
205.15988	3.3
217.08525	4.6
219.10005	4.3
221.11542	4.3
223.13148	47.4
224.13515	3.9
233.07964	7.2
234.01756	3.4
235.09592	14.8
237.11116	25.0
249.11107	92.2
249.14958	16.3
249.18562	8.6
250.11824	4.1
250.14456	27.6
255.46857	1.8
265.10565	11.5
267.12161	100.0
268.12546	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	247.1703
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
58.48556	0.1
59.95697	0.1
62.91925	0.2
95.88857	0.2
97.06849	0.2
98.19867	0.7
135.84836	0.2
136.17360	0.2
139.01744	0.1
141.18773	0.2
184.00232	0.5
205.16014	0.4
230.05022	0.2
231.13889	0.4
232.14494	0.2
247.17030	100.0
248.07928	0.6
248.17374	7.1
250.79384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90349	0.5
53.93102	0.6
59.01384	19.9
61.98817	3.8
71.01386	1.7
83.05027	1.7
113.79438	0.6
115.53992	0.7
117.03503	0.8
121.02914	0.8
125.34595	0.7
135.11830	1.1
147.11816	0.8
149.06041	0.8
149.09723	0.9
149.13361	12.2
163.07690	1.0
175.14922	2.0
186.95634	1.9
190.10001	0.9
203.18048	31.7
204.18385	2.4
229.15881	3.1
246.98622	0.8
247.09836	2.2
247.17036	100.0
248.17393	6.5
262.20444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1292
Annotation	CHEBI:69739
Peak:m/z	Relative Intensity
50.59652	1.1
55.01869	3.6
59.01373	2.0
60.27574	1.1
61.98836	6.7
71.05038	2.2
71.12896	1.3
71.29884	2.1
79.95737	1.1
84.02197	1.1
99.65929	1.2
119.07421	2.4
134.09770	61.6
135.10092	2.3
148.11342	8.6
149.08470	1.5
171.28740	1.3
181.12408	1.5
186.12907	4.8
189.11617	5.6
204.13945	100.0
205.14240	7.1
205.15938	1.6
219.09988	1.6
221.11676	3.0
248.12915	10.8
249.11090	15.0
249.15002	6.7
258.67664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67403	0.6
56.50605	0.5
57.03434	0.7
59.01385	3.0
61.98836	48.6
71.01397	3.0
71.56734	0.9
72.99317	20.6
73.02952	1.7
74.02498	1.2
75.00912	0.6
78.95914	1.9
83.05045	0.8
84.58939	0.6
85.02966	1.2
87.00874	0.9
89.02465	1.0
93.03466	1.9
96.97042	0.8
99.00883	1.6
101.02456	2.5
102.05618	42.4
104.03540	2.5
105.01971	0.8
111.04513	1.4
116.03582	0.6
116.07646	0.5
116.93354	0.6
119.03529	3.2
128.03551	29.6
128.95972	0.8
129.01927	3.0
129.03877	0.9
131.08205	1.3
137.02481	1.0
139.80591	0.5
142.99915	0.8
145.06174	2.8
146.04608	100.0
146.96632	2.8
147.02979	3.5
147.04939	1.7
148.92303	2.3
150.02263	0.7
152.95967	16.1
154.95758	1.5
163.02455	0.7
163.06145	2.2
170.97023	21.5
172.96735	3.1
173.00989	3.1
173.04565	4.4
218.99339	0.6
246.90044	6.0
246.98961	3.0
247.04532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1083
Annotation	3,3'-Diindolylmethane
Peak:m/z	Relative Intensity
61.98828	3.0
69.33900	1.8
69.34325	2.1
72.51665	0.3
99.92609	1.0
100.92576	0.8
116.05071	100.0
116.92848	0.5
117.03474	0.8
117.05390	2.5
199.90120	0.4
245.10835	51.4
245.89409	0.7
246.11191	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1396
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
57.03451	2.0
57.32084	0.4
70.15012	2.3
70.46338	0.7
71.05029	1.8
72.78848	0.5
78.97591	0.5
83.05048	1.6
93.22678	0.4
97.06582	1.2
98.20489	0.7
111.08133	3.0
125.09718	0.8
133.15424	0.5
155.14423	2.2
163.11255	1.1
165.12852	20.8
166.13138	0.7
169.42120	0.5
171.10266	0.9
176.58804	0.5
183.13919	20.1
184.14262	0.8
199.13400	0.7
201.14970	10.7
209.11861	14.2
210.12183	0.7
225.11311	1.8
227.12907	52.7
228.13196	2.5
243.12320	1.1
245.13947	100.0
246.14272	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	245.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61808	1.2
57.03452	1.7
58.00595	6.9
59.01386	21.2
61.56609	1.3
66.18704	1.2
69.72159	7.7
71.01389	11.8
72.02167	3.2
72.99312	2.6
73.02953	3.1
75.00858	1.8
78.95917	8.9
80.33201	1.2
81.07094	1.9
83.05035	1.2
84.02184	1.9
85.02977	2.6
86.88460	1.2
87.00869	11.9
87.13549	1.2
89.02439	9.1
95.05058	3.5
97.06582	14.7
98.20621	1.7
99.08148	11.5
101.02448	2.8
105.01935	3.1
107.05009	1.4
108.02193	1.8
109.06618	6.5
112.01706	1.6
113.03607	2.0
121.06577	1.6
125.06084	4.4
127.07655	100.0
128.07970	2.2
129.01933	2.9
129.09222	6.5
129.10374	1.6
130.08740	16.7
137.06104	10.4
139.07657	7.0
140.07173	1.7
144.00681	2.2
147.03015	2.8
152.99571	6.3
155.07150	39.2
157.08679	4.4
167.07121	1.6
168.87827	1.3
171.00629	2.9
183.11407	3.2
185.08188	4.9
196.71909	1.3
199.09709	1.5
210.07739	3.5
214.10304	1.3
227.10402	4.3
245.04309	9.2
245.10301	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	245.0932
Annotation	N-Acetyl-D-tryptophan
Peak:m/z	Relative Intensity
58.02981	23.7
59.01363	1.4
63.87621	0.9
70.02987	15.0
70.81938	1.9
71.01369	3.5
72.00910	4.8
72.04552	4.3
73.15935	1.1
74.02480	100.0
75.02785	1.4
80.96523	2.6
82.96098	2.2
83.31454	0.9
87.00891	2.5
98.02483	24.0
114.15122	1.1
114.93307	6.4
115.00387	3.0
116.00719	2.1
116.03561	30.3
116.05072	35.8
117.05418	5.1
127.11283	1.6
128.73572	0.9
130.06651	6.1
131.07002	1.8
131.29822	0.9
142.06633	11.6
143.06981	16.8
144.08182	3.5
145.08537	7.3
152.99625	1.2
155.06989	2.8
158.06082	1.2
159.06491	1.4
159.09323	7.2
171.06563	1.5
171.10257	1.7
173.08020	1.1
174.73257	1.0
183.09285	2.0
186.05627	4.1
187.05977	8.1
189.07491	2.0
194.61879	1.0
201.10023	2.6
201.11331	7.5
203.08276	93.3
204.08556	3.7
209.11824	15.1
227.13016	1.3
245.04169	2.4
245.06523	5.4
245.09314	87.7
246.09776	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	245.0434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22275	0.5
59.01376	1.1
70.71933	1.1
70.72267	1.1
72.99310	0.7
78.95909	100.0
87.00882	3.7
95.21798	0.4
96.96964	8.9
105.80361	0.5
119.32815	0.5
142.96622	0.7
150.98061	0.7
152.99597	79.4
153.99947	0.9
158.08194	0.8
165.75873	0.5
171.00656	35.2
174.99242	4.3
184.97655	1.0
245.04314	82.3
246.04773	1.9
254.84940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0434
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
50.99178	0.7
57.97549	2.8
58.80680	0.8
59.01382	4.3
59.99116	1.0
61.98833	10.5
70.74110	2.6
71.01381	3.6
72.99306	7.0
73.02946	2.6
76.72447	0.9
78.95908	100.0
81.04575	2.5
83.01381	1.0
87.00883	1.3
88.04042	2.4
89.02450	1.8
96.54281	0.8
96.96963	8.5
97.06559	1.0
99.00855	1.8
101.02438	3.1
107.21927	0.9
115.00362	3.5
115.03376	1.8
116.07176	3.4
117.01949	4.4
118.00215	0.9
119.03493	2.5
127.05198	1.1
127.07645	2.8
128.03572	2.6
129.01949	1.2
129.10350	8.3
130.08740	4.5
144.03072	1.6
145.01480	4.6
145.06223	4.3
150.97890	0.9
152.95953	4.0
152.99593	76.7
153.99899	1.3
155.07092	1.7
169.08868	0.9
170.97031	7.6
171.00648	30.0
201.12407	2.3
227.10406	1.8
244.90089	1.2
245.04309	75.1
245.11298	5.6
246.04639	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0615
Annotation	Heliparvifoline
Peak:m/z	Relative Intensity
54.72314	1.0
58.00609	2.5
58.22952	1.0
59.01382	10.5
71.01386	16.4
71.24661	2.5
72.99327	7.6
74.68188	1.1
83.01377	1.9
84.20629	1.2
85.84404	1.1
87.00886	16.5
99.00876	3.7
113.99603	12.4
115.00384	44.8
116.05072	38.3
116.05919	1.4
117.05414	1.4
118.06660	2.8
128.05084	2.6
130.06621	9.7
142.06631	100.0
143.07011	5.0
144.04549	1.7
144.08205	47.9
145.08551	2.6
146.06111	6.9
153.05815	2.7
154.06633	11.6
156.04608	7.3
158.06146	6.3
170.06094	6.3
172.07690	11.0
182.06096	2.7
186.05624	42.0
187.05991	2.5
188.07140	9.2
198.05620	4.8
200.07176	4.1
216.06648	4.7
226.05145	2.7
234.51434	1.2
244.06151	33.0
245.06575	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1301
Annotation	H-Leu-Asn-OH
Peak:m/z	Relative Intensity
51.24622	0.7
57.16516	0.7
57.97562	2.2
58.00595	1.1
58.02978	8.1
58.65314	0.8
59.01373	3.5
66.03467	0.9
70.02973	3.0
71.01382	2.1
71.59377	0.8
72.04540	1.0
73.04079	1.5
74.02486	5.1
75.00873	1.0
78.95918	11.1
81.04575	3.5
81.51258	0.7
82.02966	1.6
83.01371	0.8
83.84325	0.7
87.00890	2.3
88.04046	1.3
89.02469	1.2
90.13585	0.8
95.05028	0.8
96.96980	1.2
97.06587	2.2
98.02489	22.2
98.89862	0.8
99.00833	1.2
99.08156	1.2
101.02438	0.8
102.05628	2.5
109.01702	2.2
110.02459	1.3
110.06080	1.0
112.07695	0.9
113.03578	27.8
114.09299	0.8
115.03365	2.2
122.62498	0.8
125.06103	1.2
126.04400	0.9
127.07658	13.5
128.03554	1.9
129.09258	0.8
129.10320	1.2
130.08749	100.0
131.09111	1.9
136.04117	0.7
137.06090	1.2
138.09276	1.2
139.07663	1.5
139.08714	0.8
140.07227	3.6
141.10342	11.8
143.11876	2.6
144.02969	0.9
146.04633	4.2
152.99571	7.7
155.07143	5.9
155.11925	0.8
156.10323	1.1
161.35031	0.7
165.10318	2.3
166.08725	1.7
169.09822	1.4
171.00674	3.1
182.12984	2.8
183.11385	9.1
185.08177	1.6
200.14026	1.6
210.07721	4.7
226.11893	1.2
227.10406	24.0
229.33632	0.8
244.02513	1.1
244.13031	39.2
244.16637	2.2
245.04251	7.5
245.13516	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	244.0615
Annotation	Heliparvifoline
Peak:m/z	Relative Intensity
58.00593	5.1
59.01380	17.6
61.98824	6.3
70.79340	3.8
71.01385	31.0
72.99310	18.7
83.01399	2.3
86.00095	3.4
87.00880	32.9
99.00886	5.5
99.92594	4.7
101.60565	1.3
105.19254	1.7
107.05090	1.3
110.41547	1.4
112.98818	3.0
113.99597	20.7
115.00381	82.5
116.00707	1.6
116.05067	57.9
117.05392	2.5
117.16284	1.3
118.06622	4.3
127.03915	1.2
128.05040	4.5
130.06619	22.5
131.03780	1.5
142.06627	59.5
143.06938	1.9
144.04517	3.9
144.08194	100.0
145.08551	4.5
146.06133	17.1
153.05885	3.5
154.06630	22.9
155.07101	2.9
156.04570	13.5
156.07425	2.5
157.05257	2.4
158.06114	16.1
170.06123	16.1
171.10249	13.4
172.04045	3.0
172.07684	23.2
182.06068	3.9
182.30798	1.4
184.10539	4.1
186.05627	5.5
188.07169	24.5
189.07442	1.9
198.05592	10.4
200.07098	7.1
200.13814	1.6
201.09113	1.7
216.03499	1.8
216.06581	10.3
219.48155	1.2
226.05092	7.7
226.11569	2.0
244.06140	70.1
244.12770	7.6
245.08206	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	243.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
58.02976	0.6
59.01372	1.2
66.03479	1.4
67.01891	0.7
68.99802	0.6
69.03444	0.8
71.01390	3.7
71.60343	0.9
72.99320	0.9
75.22665	0.5
79.95741	1.1
82.06626	3.2
83.05032	1.0
83.06424	0.5
84.08221	0.8
85.02946	0.8
86.66213	0.5
87.00883	0.6
97.06588	1.4
99.47937	0.5
108.17807	0.5
109.01724	0.5
110.02475	1.1
111.00905	0.7
111.04512	0.6
112.07732	1.7
114.09248	1.0
115.00311	0.4
119.05042	0.6
123.08186	0.7
125.06067	0.9
125.09730	4.8
127.77438	0.5
128.07166	0.8
129.05598	1.7
129.10370	5.5
130.08745	51.7
131.09053	0.9
135.04538	0.9
137.09760	0.8
141.10362	1.0
146.08266	0.7
151.07622	0.6
157.13472	9.0
181.08723	0.7
182.15511	4.5
185.06003	0.5
197.16646	0.6
199.04303	1.2
199.18167	27.3
200.05667	0.6
200.18384	0.8
201.12476	0.6
225.11278	0.7
239.81187	0.6
243.03206	0.9
243.06651	0.9
243.08798	9.7
243.13264	4.9
243.17136	100.0
244.09198	0.7
244.17473	5.4
247.23285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85881	0.7
59.01373	1.0
60.26422	0.5
61.98521	1.2
61.98832	20.3
71.60760	0.8
77.04452	0.6
83.05045	0.6
99.92589	4.7
110.02469	1.9
111.00865	1.0
114.05598	1.4
116.05027	2.4
125.09714	1.3
127.74452	0.6
142.06610	1.2
183.13875	0.8
186.05521	1.1
197.90582	3.1
211.13402	6.7
225.11388	0.9
235.55612	0.6
243.02808	0.8
243.06491	1.3
243.09402	2.4
243.15994	100.0
243.89993	4.5
244.16296	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	243.1602
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03435	1.2
59.01375	1.3
61.98831	1.4
67.01891	0.5
71.01392	0.6
82.74154	0.4
87.04514	0.9
98.20631	0.9
99.92596	0.9
108.80852	0.3
110.02483	0.5
111.00938	0.6
125.09677	1.0
127.11287	0.7
131.10574	0.5
141.12811	0.7
155.10760	2.6
168.87407	0.4
169.12379	1.0
171.10277	7.1
177.12831	0.7
195.13898	11.5
197.11823	0.7
197.15479	0.5
207.13896	2.2
213.15001	4.2
225.11507	0.5
225.14972	11.6
226.15285	0.8
241.14458	0.8
243.16000	100.0
244.16336	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
50.55780	2.1
57.03452	2.2
59.01104	3.2
59.01386	59.9
59.92567	1.9
70.96169	4.9
71.01367	3.2
73.02924	2.6
77.06335	2.0
85.36890	2.0
99.00892	2.9
115.00352	5.0
116.04987	2.9
117.05405	2.4
122.78876	2.1
139.11296	38.0
142.06644	3.6
144.08183	5.2
154.34315	2.2
163.11287	3.5
181.12329	23.9
183.10265	58.5
199.13409	16.9
200.07332	2.8
207.10257	4.3
225.11284	25.6
243.12367	100.0
244.06168	2.6
244.12862	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	243.1238
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
59.01376	1.0
61.98783	0.7
68.92945	0.6
71.01414	0.8
71.05022	1.8
72.99306	1.9
83.05034	1.0
97.02957	3.3
97.06615	1.1
99.00884	13.1
109.06567	1.0
110.02500	0.8
110.03748	1.2
123.08134	0.8
125.09739	4.6
135.08130	1.2
142.02692	0.9
153.12804	1.2
155.14433	1.4
163.11281	5.0
171.10286	4.0
181.12360	19.5
182.12674	0.8
197.11868	2.3
199.13425	15.4
200.13785	0.7
207.10272	26.5
208.10612	1.9
225.11330	57.4
226.11694	3.2
229.40358	0.8
234.17760	0.6
243.12373	100.0
244.12747	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	243.1601
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
56.15420	0.5
59.01389	0.6
61.98525	0.7
61.98833	12.7
67.01884	0.8
69.79356	2.7
72.99323	0.6
81.03909	0.5
98.20573	1.0
99.92584	2.8
110.02489	1.6
111.00877	0.6
112.24442	0.6
114.05586	0.9
116.05093	0.9
125.09743	1.4
181.16055	0.7
197.90630	2.1
199.11157	0.5
200.05739	0.5
211.13409	4.7
225.14977	0.5
227.02399	1.7
243.03131	0.9
243.06448	1.3
243.10260	2.1
243.15991	100.0
243.89906	3.0
244.16377	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
66.15291	1.9
69.65030	3.8
69.65431	7.1
71.05007	3.6
82.58965	1.6
96.04552	2.4
97.02940	6.2
97.06557	2.5
99.00886	22.9
114.05589	4.0
116.05048	2.9
125.09737	9.9
155.14424	2.4
163.11316	8.1
181.12328	27.1
199.13391	27.0
207.10274	49.1
208.10591	2.0
225.11317	97.2
226.11649	5.4
243.12372	100.0
244.12802	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	242.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.1
61.98833	13.9
69.82922	3.7
69.83327	7.0
71.18271	1.5
103.92041	31.1
110.02522	2.6
113.06096	100.0
116.05068	14.3
149.91356	11.0
193.25635	1.7
195.90646	3.0
213.91602	12.6
220.66418	1.7
225.14977	2.2
241.89903	1.8
242.08292	2.1
242.11877	3.7
242.17865	5.1
242.21179	12.9
243.15915	3.7
243.19722	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	243.0622
Annotation	Spongouridine
Peak:m/z	Relative Intensity
55.01873	1.1
59.01372	0.9
66.03491	15.1
68.01428	2.9
68.05074	1.1
70.02973	1.0
70.92715	1.7
71.01389	2.3
72.00922	4.2
72.99316	1.2
73.02938	1.1
81.02189	1.1
82.02988	33.6
83.01399	1.1
84.04568	1.0
94.02988	3.2
96.04546	2.0
98.02480	1.4
98.06124	1.1
99.00893	2.2
100.04047	2.2
107.03785	1.5
108.04559	2.8
110.02485	100.0
111.02021	5.6
111.02785	1.8
111.75001	0.9
116.10737	0.8
117.01942	2.0
120.04560	0.9
121.18559	0.7
122.02471	8.5
123.05602	0.9
124.04052	3.4
137.07213	0.9
140.03537	11.0
144.01891	0.9
144.03030	20.0
150.05621	2.1
152.03543	20.0
153.03023	8.7
164.07156	1.1
167.08257	1.5
195.07771	3.7
200.05647	37.4
201.05916	1.3
213.08800	2.4
225.08820	17.1
243.06216	22.5
243.09889	3.3
244.06445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0928
Annotation	3-(1H-Indol-3-yl)quinoline
Peak:m/z	Relative Intensity
59.01373	0.4
61.98528	0.3
61.98836	4.1
67.01891	0.4
69.42909	1.8
69.91714	0.2
76.59631	0.2
96.19564	0.2
99.92593	2.3
110.02473	0.4
111.00888	0.4
115.92024	0.3
116.05061	0.7
143.12143	0.2
145.09445	0.2
197.90622	0.7
198.47063	0.2
216.08188	0.5
241.07730	4.1
242.08299	0.5
243.09265	100.0
243.89958	0.6
244.09604	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	242.0824
Annotation	Isotaifine
Peak:m/z	Relative Intensity
55.01877	1.2
57.03445	4.8
57.97556	4.0
59.01367	6.1
59.94729	1.1
61.98821	1.6
67.01886	1.3
69.03463	7.7
70.12006	3.9
71.01389	4.4
75.08265	1.1
76.97198	1.2
80.96498	1.8
83.01382	8.4
84.02175	3.2
85.02955	14.0
95.01384	4.5
95.95226	3.2
96.96021	1.9
97.02950	9.3
99.08157	1.6
101.02450	2.4
103.92035	3.9
107.05051	1.3
110.02514	2.1
111.00894	1.8
112.01649	1.6
112.93703	1.2
113.02447	1.4
116.05074	100.0
117.05416	3.6
125.02475	15.0
125.83634	1.0
128.05080	10.2
129.05859	1.3
130.06631	41.8
131.06982	1.7
139.11244	1.2
140.05054	1.3
142.06635	17.7
143.61935	1.2
144.04526	3.4
146.06133	23.2
147.06415	1.7
154.06657	2.3
155.07153	5.3
156.04570	17.9
156.08179	11.1
157.05342	26.3
158.06128	36.2
166.06635	4.3
168.08202	5.1
170.06108	9.5
170.09828	2.2
172.04042	4.8
172.07692	5.5
180.08211	3.3
181.05452	1.3
181.12367	3.0
182.06137	2.9
183.06856	1.4
183.10274	5.1
184.04015	1.4
184.07713	11.1
186.05624	4.5
186.09242	2.5
194.06155	13.1
196.07651	4.8
198.05609	1.7
198.09274	2.6
200.07147	10.7
210.05553	3.1
212.07176	47.1
213.07521	3.2
213.91783	1.5
214.08798	9.9
224.07149	6.1
224.86746	1.3
225.11287	2.2
241.98067	2.1
242.08224	48.8
243.08498	2.2
243.12366	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	242.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03449	3.2
57.23964	1.1
59.01376	1.6
61.98820	4.3
67.01891	1.5
69.03465	11.1
71.01373	3.8
71.60380	1.2
76.49299	1.1
81.03445	1.3
83.01407	5.7
84.02171	2.9
85.02958	13.0
87.00893	1.2
95.01363	1.3
97.02961	12.5
101.02428	4.0
103.92030	12.8
109.36496	1.1
113.02431	1.3
116.05070	100.0
117.05423	2.7
125.02446	21.3
128.05072	8.5
130.06638	29.2
131.06973	1.4
139.11334	1.4
140.05075	1.4
142.06616	6.1
144.04562	3.4
146.06097	10.1
149.91299	4.9
156.04565	13.7
156.08203	1.6
157.05357	18.7
158.06126	32.0
159.06389	1.2
168.08145	2.0
170.06100	8.4
170.09676	3.9
172.04028	4.4
174.05643	1.3
180.08136	3.6
181.05389	1.2
184.03966	2.5
186.05580	4.4
186.09181	2.7
194.06223	1.8
195.90480	1.8
196.07698	5.4
198.05547	1.4
198.09216	4.3
202.76810	1.0
211.13419	2.9
212.07152	2.4
213.91673	6.3
214.08752	9.6
224.07169	6.0
225.15002	2.1
242.08208	32.4
242.15184	1.5
242.17470	6.3
243.08591	1.6
243.15956	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	241.9953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.7
59.34775	0.7
61.62712	0.6
63.96250	3.1
71.15043	1.3
74.02500	0.5
79.52785	0.5
79.95743	19.7
80.96521	81.9
81.80903	0.6
85.39040	0.5
101.64714	0.5
102.54359	0.6
111.92950	5.1
112.93742	100.0
113.93671	0.6
116.05058	1.8
130.06615	1.3
157.05371	0.6
160.02275	17.0
162.03847	9.9
176.23882	0.5
180.11047	0.6
189.61458	0.6
198.12305	0.5
200.07187	1.1
222.45680	0.7
231.24844	0.5
241.99525	22.0
242.08238	1.3
242.11775	0.7
242.99730	1.0
243.12355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
68.56142	7.6
70.49457	25.4
70.49812	8.5
85.31579	7.0
116.81232	7.1
128.94827	7.3
168.02811	24.3
170.20166	7.1
187.36021	7.9
234.88840	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	241.2173
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
59.96674	0.4
60.60534	0.4
61.98812	1.2
70.19305	0.9
70.19659	0.8
71.44971	0.4
83.01338	0.4
91.21242	0.3
92.99786	0.4
94.70214	0.4
99.92585	0.4
103.91994	0.6
134.89432	0.6
153.96257	0.4
166.19290	0.4
190.49950	0.4
204.97795	1.0
213.91644	0.6
222.98775	0.7
241.21733	100.0
242.22057	7.6
259.39990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1447
Annotation	Annuionone F
Peak:m/z	Relative Intensity
51.30243	1.0
57.03452	4.9
59.01382	4.6
61.98837	11.1
69.03453	1.1
71.01411	1.2
71.05026	4.0
71.60648	1.0
72.26259	0.8
83.05062	0.9
85.06596	1.4
85.65685	1.1
97.06580	2.0
103.92031	7.7
118.91817	1.1
125.09709	2.2
148.09480	0.8
149.09659	1.3
149.91330	2.0
175.08357	0.9
179.14424	35.3
180.14693	1.7
181.12456	1.1
185.80511	0.9
195.13962	1.4
197.15472	19.0
204.97688	0.8
205.12408	0.8
213.91629	4.0
222.98842	1.1
223.13414	28.5
224.13744	1.9
226.06546	0.9
241.00101	1.0
241.14471	100.0
241.18326	2.8
241.21637	9.2
242.14813	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	241.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92581	0.4
56.30209	0.4
57.03452	2.8
57.97564	2.1
59.01385	1.3
60.99316	1.1
69.03455	2.0
70.50525	0.4
71.01398	1.1
71.60142	0.5
73.29477	0.4
77.90716	0.4
79.98804	0.5
81.03482	0.6
82.02998	2.4
83.05029	18.7
84.59602	0.4
85.02975	0.8
85.06595	0.4
97.06597	4.4
103.96953	0.5
109.06601	5.7
111.08203	0.7
112.02301	0.5
113.06081	4.1
116.05061	3.4
121.06659	0.7
122.65841	0.4
125.02471	0.7
125.09666	0.5
128.05035	0.7
128.47450	0.4
130.06630	1.8
130.08771	1.2
133.10248	2.1
137.09731	7.0
138.10049	0.4
141.01302	1.5
142.06686	0.9
146.06123	0.8
151.11269	1.5
153.09253	4.7
153.12883	4.0
155.09039	0.7
156.04520	0.5
157.05292	1.2
158.06102	1.5
161.13406	0.8
163.11296	0.5
166.45691	0.4
169.10583	1.4
170.06236	0.4
179.10809	1.3
179.14412	0.7
182.40681	0.4
184.07721	0.5
186.05516	0.4
194.06247	0.5
197.11835	100.0
198.12198	4.0
199.18050	2.0
200.07076	0.5
212.07179	1.8
213.05540	0.5
214.08704	0.5
223.13382	17.5
224.13715	1.1
241.04988	1.0
241.10843	1.0
241.14456	15.0
241.19452	0.8
241.21735	1.4
242.08221	1.9
242.14711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09502	0.7
52.24254	0.5
53.45377	0.5
56.98018	0.6
59.01366	1.0
64.55032	0.6
74.02499	0.7
79.95739	15.5
80.96520	25.5
82.02974	0.8
84.00914	8.1
95.95238	100.0
96.96014	82.3
109.01192	1.5
110.99030	0.7
112.04056	17.8
121.02955	1.6
123.99889	0.8
135.99738	0.6
137.00676	10.1
148.04823	1.1
149.02435	6.2
159.84837	0.6
163.96603	5.1
163.99394	1.1
165.00156	15.4
166.08676	1.6
167.01775	0.6
180.99669	4.1
182.00441	19.0
184.99054	0.7
191.99731	44.4
192.99910	0.8
207.98315	1.5
208.99150	2.4
213.85106	0.6
224.98596	1.1
225.99416	71.9
228.35378	0.6
240.00066	40.7
241.01839	15.9
259.05203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
54.46035	0.6
56.92734	0.6
57.03451	1.2
59.01367	0.9
61.98818	0.7
69.03461	3.0
71.05020	4.2
77.12106	0.7
81.03433	1.2
83.05038	4.2
84.70559	0.6
97.06606	1.5
98.20660	1.2
123.08138	1.0
125.09703	2.1
146.24132	0.6
151.11281	1.4
153.12823	2.5
161.09608	1.2
169.12263	0.7
179.10765	7.1
197.11833	100.0
198.12181	4.4
213.16133	1.3
223.09734	2.7
241.00056	0.8
241.10817	74.8
241.14670	2.0
241.21748	2.7
242.11189	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	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.21742	0.4
55.43483	0.3
59.01385	3.3
61.98835	0.9
70.91388	0.5
70.91733	0.8
83.05051	0.5
97.06596	0.6
112.16493	0.4
113.71569	0.4
133.41653	0.4
141.09164	0.4
146.20099	0.4
177.12871	3.1
179.05594	1.2
182.61658	0.4
195.13921	100.0
196.14246	4.6
221.11864	0.7
239.12903	10.5
239.16466	1.8
240.13373	0.4
253.34541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01371	1.3
60.40421	0.4
61.98831	0.7
70.12312	1.1
70.12690	1.6
95.05033	0.9
98.20602	0.6
101.06094	8.7
109.06578	3.9
111.08162	5.2
117.27484	0.5
122.03752	0.9
125.09708	0.8
138.27287	0.5
139.04016	13.2
140.04399	0.5
151.11302	0.5
154.06361	33.9
155.06718	1.1
160.84225	0.5
167.14417	9.6
179.05635	1.2
179.10789	5.0
182.05869	3.7
185.15482	0.6
195.13902	100.0
196.14259	4.9
223.02788	0.7
239.12866	7.0
239.16525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1653
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
51.12896	2.0
52.26484	1.7
53.64254	1.8
57.03442	2.8
59.01383	36.0
61.98833	16.3
68.84978	1.7
70.01079	6.3
70.01500	3.2
71.01386	2.8
74.99081	2.2
82.20225	1.6
83.05027	2.9
87.00892	5.2
91.02196	3.0
92.17308	1.6
99.00905	1.8
101.92490	1.8
116.05061	7.1
123.00888	3.1
123.08140	2.2
161.04582	6.0
179.05603	26.0
183.13893	25.6
185.02058	1.7
195.13916	5.4
196.11382	2.0
209.15475	21.2
211.07721	3.2
211.17041	3.3
221.15468	79.4
222.15730	4.5
223.02817	28.9
224.02846	2.7
239.07272	11.2
239.12779	4.9
239.16534	100.0
240.10368	8.9
240.16869	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	237.1498
Annotation	OPC-4:0
Peak:m/z	Relative Intensity
57.03443	1.1
59.01382	21.5
60.41787	0.3
61.98827	2.2
70.13706	0.7
70.14092	1.3
71.01389	0.5
71.05027	0.4
80.02682	2.3
81.02995	0.4
81.03466	6.7
83.04980	0.4
85.02959	1.0
87.04477	0.5
88.30238	0.4
93.03442	0.4
95.05013	0.6
100.88013	0.3
101.84484	0.3
106.04247	0.3
109.06588	0.7
111.08087	0.5
121.02986	0.4
121.06570	0.4
122.03741	0.4
123.08170	9.2
125.09734	12.4
135.08192	0.7
137.02464	0.4
137.09718	4.3
149.09717	3.8
158.43175	0.3
163.11302	1.8
165.12859	14.2
166.13181	0.4
169.08742	1.7
175.14922	1.0
177.12863	0.4
179.10793	2.4
191.14383	2.2
193.15987	3.3
219.13881	1.4
237.14972	100.0
238.15311	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	239.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55950	0.2
59.01382	1.3
59.96723	0.7
61.98843	0.5
64.95243	1.5
70.60855	0.5
74.99077	12.0
75.96226	0.7
85.03030	0.2
91.02215	10.0
93.00136	4.5
125.90234	0.2
127.04042	0.2
149.00958	5.3
150.00917	0.3
150.98906	0.5
161.04559	0.2
179.05615	0.7
193.79488	0.2
206.99725	3.0
223.02843	100.0
224.02896	7.4
239.06021	0.8
239.12965	0.3
239.20099	0.2
241.03908	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	236.0049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97556	1.9
61.24805	1.4
61.98834	100.0
62.57019	1.4
63.53570	1.3
71.01394	3.3
71.58497	1.7
71.73032	1.5
72.99341	1.8
75.00875	3.5
86.02455	1.6
87.00880	7.3
112.19178	1.4
115.00394	3.3
117.01968	3.5
129.01967	2.3
133.01398	7.2
135.02007	1.8
135.02994	8.0
136.98535	1.8
139.00153	14.3
142.58948	1.5
142.99908	7.3
154.99573	1.7
168.47481	1.6
187.72737	1.3
199.68536	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24593	0.2
58.43048	0.2
59.01379	0.6
61.98824	1.4
69.74133	1.3
77.91242	0.2
116.92876	0.2
134.03764	0.5
135.04512	0.6
136.05296	0.4
148.05313	9.5
149.05960	0.5
149.09785	1.1
151.07619	0.2
162.06909	0.4
175.07642	0.5
176.08420	0.7
177.09216	45.9
178.09537	2.2
190.09998	1.7
191.10817	1.1
192.11568	34.5
193.11974	1.5
201.09392	0.4
203.07129	0.6
206.09444	0.2
217.08684	3.3
218.09480	9.7
219.09853	0.5
236.10541	100.0
237.10924	6.0
237.14960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28266	0.6
59.01368	1.2
60.43135	0.6
60.83438	0.6
65.68292	0.6
66.53061	0.6
71.01387	17.9
75.00299	0.7
115.00371	8.6
121.02963	100.0
122.03278	3.3
131.67987	0.7
134.03773	5.7
135.04518	1.0
139.83592	0.7
149.06075	3.8
152.10605	0.6
200.78093	0.7
237.07727	1.4
237.11433	0.8
237.15103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.2
59.01385	1.5
62.66684	0.7
70.93848	1.4
71.01389	2.1
72.99314	28.7
78.95911	9.9
85.02957	2.7
87.00881	100.0
88.01218	1.1
104.03534	1.5
112.98566	7.5
129.01953	18.7
136.98570	56.6
154.01253	0.9
154.99638	56.6
155.99995	1.2
194.98872	5.0
211.00975	1.9
223.24768	0.9
236.99960	6.5
237.06215	3.8
244.83051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1497
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
53.27950	1.9
57.93404	1.8
59.01095	3.8
59.01382	66.2
61.98830	12.6
62.09443	1.9
63.15903	1.8
69.03456	17.2
71.01388	2.2
71.30264	2.5
72.99270	2.2
85.02952	3.7
97.06601	44.4
116.92831	3.2
121.10245	7.4
122.03759	5.0
123.00883	5.1
123.08177	45.2
124.01723	1.8
125.09827	2.6
139.07626	6.9
147.11800	11.7
147.26111	1.8
164.89595	2.0
165.09106	2.0
167.07162	5.3
173.95198	2.6
175.14928	10.1
179.10802	24.5
193.08670	2.4
193.12256	2.9
193.16069	3.7
219.13971	9.7
226.33215	2.0
237.11232	6.1
237.14948	100.0
238.15363	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	235.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98823	3.5
63.96238	0.6
65.04596	0.7
69.74869	4.0
71.01395	2.4
94.03006	1.9
95.05039	1.1
98.20715	0.6
140.93793	0.6
145.77318	0.6
146.07535	0.6
147.08136	1.3
148.05258	0.7
148.93867	0.8
149.09721	1.1
149.34718	0.7
150.91896	0.6
162.89319	1.0
163.00374	1.1
163.11296	32.4
164.11635	1.9
174.05563	0.8
175.11366	0.8
189.12833	1.3
191.07074	0.8
191.14439	13.2
192.14716	1.0
207.95361	0.7
209.81664	0.7
217.06349	1.1
217.12302	4.5
235.13399	36.5
236.13826	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1703
Annotation	Bicyclohumulenedione
Peak:m/z	Relative Intensity
51.53598	0.7
51.60713	0.5
59.01384	12.8
59.48995	0.6
59.54964	0.6
60.82714	0.6
61.98827	2.6
67.70365	0.6
70.23814	0.7
71.01377	1.2
71.08144	0.9
71.08455	0.9
83.05015	1.1
85.02964	0.9
94.02991	3.2
95.05109	0.6
99.70950	0.7
101.02465	0.8
119.01397	1.0
126.89278	0.6
142.91765	0.7
145.26741	0.7
148.05298	0.7
162.89403	1.0
163.00276	0.8
163.03981	0.7
163.14932	0.7
174.05521	0.8
177.09268	1.3
191.07140	0.8
191.18040	1.8
192.06514	0.8
192.11465	0.7
217.06174	2.4
217.15976	1.8
233.15540	1.0
235.17041	100.0
236.10631	1.4
236.17337	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	235.1704
Annotation	Bicyclohumulenedione
Peak:m/z	Relative Intensity
53.01191	0.6
59.01385	17.9
61.98833	4.0
71.01415	1.0
71.60648	1.1
79.95750	1.2
85.02962	1.0
94.02997	4.2
148.05322	1.1
151.72238	0.7
162.89362	0.9
163.14893	1.3
174.05505	0.9
177.09239	1.2
181.23427	0.8
187.64648	0.7
191.18050	2.5
192.11618	0.7
217.06227	2.6
217.15929	0.9
233.15559	0.9
235.17050	100.0
236.10567	1.6
236.17354	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	233.9658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20102	0.7
50.55129	0.7
54.90594	0.7
61.98832	16.7
70.71130	2.1
71.01389	18.2
71.01770	1.4
72.99311	4.1
73.02946	0.7
87.00894	1.0
89.02460	4.7
109.29102	0.7
111.72781	0.6
115.00383	53.5
116.00730	0.7
131.03519	0.8
132.02997	0.7
133.01445	100.0
134.01796	1.4
135.95645	7.8
149.04558	5.4
150.02367	0.9
191.94653	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	234.1501
Annotation	Huperzine W
Peak:m/z	Relative Intensity
57.00887	0.2
59.01375	2.5
60.01724	0.3
60.22768	0.3
61.98833	0.5
70.01775	0.3
93.67923	0.2
98.19829	0.7
102.79408	0.3
139.02908	0.3
162.89255	0.3
163.00240	0.4
179.07095	1.0
196.62769	0.3
199.82210	0.3
207.13858	0.6
218.11790	2.3
234.14998	100.0
235.15335	5.9
251.11647	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	235.0725
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
55.84252	1.6
59.01381	17.3
60.07064	1.9
61.98833	16.2
63.57752	1.5
71.01388	2.7
71.59360	2.3
72.00911	16.8
72.99308	4.6
83.06332	1.5
85.02952	1.9
88.04045	3.4
88.05369	1.7
94.02979	3.6
100.41776	1.6
117.45703	1.7
118.02950	2.3
118.06630	5.6
119.02863	2.1
119.05024	3.6
128.05058	5.4
129.05841	2.5
130.06638	100.0
131.03795	9.0
131.05063	2.8
131.06950	4.5
133.02910	2.1
133.06609	2.1
135.04506	2.4
144.04564	26.1
145.07686	2.3
146.06155	17.3
147.04546	3.7
147.09229	2.9
151.04056	2.6
163.04056	1.9
164.07147	4.4
172.04071	3.3
173.07298	2.2
174.05614	78.6
175.05917	5.6
183.05560	1.8
190.05118	44.0
191.05516	4.0
191.07118	2.2
218.04518	4.7
235.15979	2.4
236.05806	3.2
248.97176	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	231.1603
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
50.68549	0.3
57.03432	0.9
59.01365	0.8
61.76970	0.3
69.52405	1.7
71.01376	2.9
83.05046	0.4
87.04517	0.3
91.77837	0.3
93.38758	0.2
95.50590	0.2
115.00352	0.5
115.07651	3.3
125.09749	0.6
127.11304	2.6
129.57388	0.3
133.02994	0.3
134.03735	2.9
135.04472	0.3
155.14401	0.6
158.03792	0.3
159.04495	1.0
171.10277	4.4
172.05321	1.3
172.98763	0.3
173.06136	1.3
174.03140	0.5
174.06857	0.9
175.07716	0.3
183.13887	0.6
185.15369	0.4
187.04085	1.5
187.07626	2.9
195.13931	0.4
197.06111	0.3
201.05566	0.6
202.06337	2.3
203.10808	1.0
207.98190	0.3
213.09233	5.3
213.11140	0.6
213.14954	4.3
229.14436	3.4
231.10350	7.3
231.16008	100.0
232.16321	4.9
232.46976	0.3
237.61568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2119
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
59.01398	24.3
61.98819	7.9
71.69112	3.2
73.93537	3.4
94.06052	3.4
99.92571	5.1
115.92040	3.8
144.09680	3.8
195.10341	4.3
197.65889	3.3
231.10207	8.1
231.17528	9.6
231.21173	100.0
232.21515	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.1
57.97562	3.3
59.01384	40.7
59.29125	2.4
61.98837	66.6
69.05421	2.6
69.67984	16.0
71.01385	48.3
72.99307	15.8
73.02957	8.8
75.00865	3.7
83.01375	5.8
83.83648	2.7
85.02945	6.9
87.00877	5.4
88.04046	20.4
89.02431	5.1
98.20660	3.1
99.00871	11.6
111.00890	9.9
115.00384	58.8
129.01941	16.6
132.03036	53.8
133.01437	100.0
133.05081	15.7
135.95663	19.2
143.04619	3.2
149.04527	10.2
156.97275	3.0
165.54803	3.3
173.00925	10.4
189.96658	4.4
191.94635	24.3
233.00754	3.5
233.15486	55.5
234.15866	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	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	13.1
59.01383	100.0
61.98827	11.3
67.01882	5.6
69.85754	12.0
69.86171	12.3
71.01389	60.8
73.02936	9.1
74.02528	5.5
78.95873	7.1
83.01375	13.7
85.02928	8.9
92.72450	4.6
96.26748	4.4
96.95997	5.6
96.96951	5.6
99.00890	21.5
111.00919	22.9
115.00332	11.6
116.07140	4.4
116.57241	5.6
129.01964	28.9
132.03043	6.2
133.01450	11.2
145.62497	5.0
160.89262	7.5
169.22437	5.0
173.00880	5.0
200.04930	4.7
232.98833	4.9
233.15468	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73678	0.3
54.33134	0.3
59.01389	1.7
59.96731	0.3
60.97516	0.4
74.99065	6.9
91.02232	0.9
93.00138	2.8
98.20705	0.8
103.38566	0.3
104.51317	0.3
118.96289	1.4
123.88901	0.3
130.41856	0.3
134.99399	6.8
136.97342	1.8
141.07462	0.4
143.05252	0.4
149.00961	73.6
150.00891	2.9
150.98898	1.1
159.08447	2.8
161.06400	3.7
165.18248	0.3
215.05664	1.3
217.07211	99.6
218.07321	6.4
233.10341	100.0
234.10512	6.7
234.15775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1028
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
55.67896	0.4
59.01349	0.6
60.76225	0.4
61.82582	0.4
70.22707	1.2
70.23111	0.7
73.44607	0.4
74.27315	0.4
78.77210	0.4
97.61118	0.4
98.19862	0.6
107.14771	0.4
110.00056	0.5
113.05992	0.4
114.62514	0.4
123.82321	0.5
124.01585	0.5
129.07112	0.6
129.71367	0.5
131.05008	2.1
134.03752	2.0
137.02504	0.7
143.05054	0.5
144.05791	2.0
145.02913	0.6
146.03703	1.4
156.05780	0.9
158.03717	0.8
159.04520	7.9
160.05293	2.6
161.02434	1.3
169.10231	0.6
171.04510	1.5
172.05283	5.9
173.02351	0.5
173.06038	1.9
174.03229	24.6
174.06792	1.5
175.03732	1.5
175.07596	0.7
183.04503	4.2
184.05315	8.8
185.06104	3.6
185.09726	8.7
186.10249	0.6
187.04008	54.5
187.07564	5.2
188.04550	4.3
196.05330	1.1
197.06079	22.6
198.06836	7.0
200.04749	1.5
201.05711	1.1
202.06395	2.5
203.10823	2.1
211.07678	1.3
213.09212	91.9
214.09572	5.1
215.03561	3.9
215.07053	0.5
216.07938	1.7
229.08708	1.8
231.10266	100.0
232.10619	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03446	1.6
70.31635	0.3
70.35289	1.3
71.05003	0.4
74.20035	0.3
78.02074	0.3
83.05025	0.6
83.36069	0.3
85.02938	0.8
97.06575	0.6
99.69248	0.3
125.09746	2.1
127.11295	4.0
155.14444	1.8
163.11180	0.3
165.12875	0.6
167.14410	1.4
171.10286	5.5
174.24516	0.4
183.13876	1.1
201.14946	0.5
209.11833	2.7
211.13399	6.0
222.04494	0.4
229.14442	100.0
230.14755	6.1
237.16132	0.3
245.46417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94707	0.6
53.03265	0.6
58.77179	0.6
59.01381	1.2
61.98833	83.8
62.98540	0.9
70.02995	1.1
70.32799	1.3
71.01392	4.7
72.00909	0.7
72.99311	20.5
73.02953	1.0
74.02492	2.6
84.04570	1.0
85.02955	2.1
87.00887	9.3
88.04058	1.9
90.97137	0.9
93.03481	2.0
96.00359	0.6
98.20481	0.7
99.00886	2.1
100.95908	0.9
101.02441	1.3
102.05618	42.4
103.05932	1.0
104.03568	3.6
105.01980	1.4
111.04523	0.7
112.98577	1.7
115.00374	2.3
115.08772	4.4
116.03535	1.2
116.07172	1.3
119.97902	1.8
128.03552	37.5
129.01955	5.8
129.03859	0.8
130.95171	1.3
131.04645	0.8
131.08232	1.1
132.94884	3.9
132.98210	5.1
133.01476	1.1
136.98575	18.9
137.02545	0.7
142.99843	1.7
144.97374	0.9
146.04601	100.0
146.06522	2.5
146.96587	2.5
147.02994	5.5
147.04916	2.4
152.95953	0.9
154.99637	18.6
156.97572	0.8
168.02809	2.8
168.99786	0.6
170.97050	0.7
171.97394	1.2
172.02577	1.5
173.00871	5.4
173.04549	2.6
174.98470	0.9
177.00572	0.8
185.00542	0.7
187.10867	1.7
188.91678	1.2
188.97183	12.5
203.01598	2.5
205.03195	2.5
212.99968	12.1
214.00208	1.8
230.92680	4.2
230.98372	1.0
231.00912	15.4
231.06041	0.7
231.09941	2.5
232.01146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03459	1.4
57.76660	0.2
71.05022	0.9
71.20634	0.5
76.88406	0.3
83.05035	0.6
84.02198	0.4
85.02962	1.1
88.78158	0.3
97.06595	0.8
100.26688	0.2
119.13696	0.2
123.08176	0.3
125.06087	0.7
125.09739	4.2
125.45223	0.2
126.10046	0.2
127.11296	5.0
129.09277	0.3
152.68784	0.2
155.14456	2.5
165.12842	0.5
167.14371	2.2
171.10272	0.5
183.13893	0.7
185.06105	0.3
185.15466	0.5
200.04781	0.5
201.09166	0.6
209.11848	1.9
211.13391	3.7
224.24825	0.2
229.14445	100.0
230.14775	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	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03452	0.2
58.00591	1.2
59.01375	0.4
66.23164	0.2
66.58212	0.2
70.08203	0.4
70.08613	0.6
71.01400	0.2
71.05003	0.2
72.99325	0.2
83.05008	0.2
85.02940	0.3
92.28562	0.2
92.57824	0.2
92.93973	0.2
99.92622	1.0
114.80231	0.2
115.92136	0.2
116.92844	0.4
124.09235	0.2
125.09711	0.3
153.12865	2.3
155.14444	5.8
165.12881	0.3
167.14395	0.9
169.12372	0.2
171.10361	0.2
181.12427	0.4
183.13927	7.2
183.17502	0.2
184.14291	0.2
185.06055	0.3
185.15433	0.4
193.12343	0.5
199.13406	4.6
200.13606	0.3
209.11990	0.3
211.13412	5.7
212.13783	0.4
227.12923	3.3
229.14453	100.0
229.18147	3.5
230.14784	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	229.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
57.94050	0.4
67.01931	0.5
69.03467	0.4
71.05011	0.3
71.60274	0.5
83.05034	1.0
84.02174	0.4
85.02960	0.8
88.86220	0.4
97.06609	0.5
117.58363	0.4
123.66061	0.4
125.09736	2.2
127.11299	4.0
130.70433	0.5
145.03015	0.5
155.14426	0.8
165.12825	0.7
167.14421	2.1
169.99559	0.6
171.04591	0.5
171.10287	3.8
172.05267	1.9
173.02437	1.4
174.03247	0.8
183.13847	1.8
186.06866	1.0
193.12401	0.9
199.04021	0.5
200.04759	4.3
200.08337	0.7
201.05618	0.4
201.09180	2.5
209.11858	2.8
211.07684	0.6
211.13408	11.3
212.13657	0.7
214.06358	3.0
229.08704	15.3
229.14449	100.0
230.09036	0.5
230.14821	4.5
246.05209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
58.00584	0.7
59.01374	1.3
70.60919	1.1
70.61284	0.9
71.01389	7.8
73.02937	1.1
84.02169	5.6
95.05007	1.3
97.02937	1.2
97.06599	33.9
98.06929	0.6
99.92573	0.7
107.05012	3.2
110.03753	2.2
123.04515	0.7
125.06091	100.0
126.06455	3.2
130.15587	0.5
141.05620	0.6
145.03140	0.5
172.05344	1.8
173.02434	1.3
173.06029	0.8
185.06125	2.2
185.11906	0.7
186.06877	1.7
199.04051	0.8
200.04779	7.0
201.09183	2.5
211.07703	1.1
211.13503	1.1
214.06369	3.3
229.05217	1.0
229.08719	16.8
229.10765	1.8
229.14534	6.1
230.09068	0.9
230.15257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	5.6
59.01364	0.9
67.64863	0.6
68.76469	0.6
69.58868	0.6
71.01373	1.0
71.60010	1.0
72.04540	0.7
72.99327	0.8
73.39657	0.6
74.02478	64.8
78.48589	0.8
85.04047	1.0
87.00890	1.9
98.50912	0.6
110.38708	0.6
111.08132	0.6
111.78255	0.6
112.02808	1.5
112.07713	0.6
119.05026	0.9
126.09257	2.4
130.08763	1.6
143.11909	100.0
144.12222	2.6
154.08757	10.6
156.89546	0.7
167.11938	1.6
179.03616	0.6
180.01076	0.6
185.06056	0.6
185.12958	14.2
186.13239	0.8
187.10872	4.2
201.05498	0.8
229.05139	1.5
229.08734	2.4
229.11974	32.8
229.14079	1.1
230.12289	1.9
239.54251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2017
Annotation	Myristic acid
Peak:m/z	Relative Intensity
50.65230	0.5
59.25190	0.4
66.91574	0.5
69.03049	0.5
69.61647	2.7
80.05700	0.4
86.41783	0.4
104.66343	0.5
124.85302	0.5
225.10191	0.6
227.20169	100.0
228.20508	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	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22816	0.3
57.03440	0.5
57.97551	0.7
71.03802	0.6
71.04157	0.3
111.08193	1.0
126.99767	0.4
130.69402	0.3
154.66774	0.3
165.12854	19.7
166.13141	0.4
183.13905	100.0
184.14238	4.4
209.11789	1.9
227.03130	0.7
227.12901	17.5
228.13181	1.0
234.31982	0.3
234.67004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1655
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
50.58670	0.4
51.27404	0.4
51.30050	0.3
57.03455	0.7
58.00597	1.4
59.01379	0.8
61.98825	1.4
65.00313	0.5
70.66371	1.0
71.01401	0.6
71.05014	0.4
73.02943	0.6
74.11857	0.4
80.30696	0.4
81.03438	0.5
83.05032	1.6
84.02179	0.7
84.42959	0.4
85.53181	0.4
93.03419	0.5
95.05026	0.4
97.02964	0.7
97.06565	0.8
99.92596	2.1
111.00877	0.6
116.05067	0.6
125.09721	0.6
139.00288	0.5
139.11205	0.5
143.86508	0.7
145.86319	0.4
153.12828	1.0
155.14442	0.8
163.11311	0.6
165.12865	2.4
169.12308	0.8
171.13901	0.7
179.14340	0.6
180.83136	1.6
181.12323	1.3
183.13911	6.1
191.10841	0.6
197.15471	1.8
199.13417	16.2
200.13747	1.0
208.93437	0.5
209.11852	14.9
209.15427	2.8
210.12289	0.8
225.14958	1.6
227.03648	0.7
227.13020	37.3
227.16534	100.0
227.19798	7.1
228.13168	1.9
228.16811	5.2
228.20456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
56.45934	0.4
60.25214	0.4
60.72392	0.4
69.03477	0.4
69.45560	0.7
69.45979	2.1
70.33485	0.3
73.22495	0.4
75.93630	0.3
86.54302	0.4
95.05032	1.6
98.05978	0.3
112.49890	0.4
139.11275	0.8
151.11330	1.8
153.12848	6.1
158.98257	0.4
163.11284	1.4
165.12842	2.6
179.10759	0.6
181.12404	2.7
199.13402	4.5
209.11905	3.0
218.93690	0.4
225.11307	0.7
227.12891	100.0
228.13199	5.7
237.32161	0.4
238.58154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
54.09934	0.5
67.52969	0.6
70.40600	0.6
70.40952	1.8
80.02680	1.9
81.03457	1.9
83.05023	6.3
84.02170	4.1
95.05027	1.2
101.14447	0.6
109.06662	0.7
125.06027	0.7
132.07088	0.6
135.08127	1.0
153.88223	0.6
163.11305	6.2
165.12817	3.8
181.12416	0.9
191.10793	1.5
199.13390	1.8
209.11829	100.0
210.12196	6.2
216.98457	0.6
227.06970	0.9
227.12939	7.1
227.20227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	7.4
60.15433	1.0
70.85953	0.9
73.02940	1.4
75.20259	0.9
84.02164	1.3
98.19807	1.4
101.75041	0.9
153.12877	1.9
155.14438	2.6
163.11221	1.2
165.12874	1.9
169.12376	1.4
171.13901	2.0
181.12378	5.2
183.13901	2.0
191.10809	1.1
199.13403	50.5
200.13742	2.5
209.11948	10.1
227.12910	100.0
228.13260	4.1
229.28099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
57.03459	0.8
57.97565	0.5
58.00599	7.3
59.01381	0.9
61.98825	0.7
68.99459	0.3
70.39561	0.6
70.39912	0.9
71.01388	0.8
71.05039	0.6
73.02952	1.2
74.63271	0.3
80.78155	0.3
82.68510	0.3
83.05025	0.5
84.02171	2.3
89.11371	0.3
91.24715	0.3
95.05057	0.5
97.06566	0.6
98.20017	0.4
99.92580	0.6
101.26839	0.3
104.52412	0.3
111.08182	0.6
111.58104	0.3
123.08172	0.4
125.09732	0.6
137.09743	0.4
147.11865	0.3
151.11292	0.7
153.09225	0.5
153.12843	1.7
155.14406	1.8
163.11293	1.1
165.12842	3.1
169.12386	1.6
171.13910	2.9
181.12346	4.4
182.12689	0.4
183.13910	3.8
191.10793	1.1
197.11868	0.5
199.13406	55.0
200.13722	1.9
207.71321	0.3
209.11839	11.7
210.12216	0.9
225.11247	0.4
227.12898	100.0
227.20154	2.4
228.13234	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	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07444	0.7
62.97992	0.7
70.35657	2.0
83.05004	1.3
111.08128	1.3
124.19439	0.7
165.12831	16.9
166.13226	1.0
181.12416	1.0
182.20953	0.8
183.13910	100.0
184.14243	3.7
209.11861	9.8
227.12920	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09837	0.3
51.10745	0.4
52.39571	0.4
53.05119	0.4
55.01860	0.5
57.03419	0.7
57.97538	0.6
58.00595	7.4
59.01357	0.8
67.75449	0.4
68.50965	0.4
69.03444	0.7
70.05148	0.7
70.05542	1.1
71.01370	0.8
72.98666	0.4
73.02908	1.3
75.88482	0.4
83.04994	0.9
84.02139	1.4
88.78453	0.5
95.05013	0.4
99.92517	0.5
111.08173	0.5
118.65671	0.4
137.09743	0.4
151.11284	0.8
153.09222	0.6
153.12863	2.0
155.14412	2.2
163.11259	1.3
163.46269	0.4
165.12843	3.5
169.12364	1.4
171.13947	2.4
180.83131	0.6
181.12389	3.8
183.13907	4.4
191.10765	1.6
197.15480	1.0
199.13409	59.2
200.13788	2.7
209.11838	14.4
209.15465	1.3
210.12144	0.7
227.12920	100.0
227.16447	47.3
227.20203	2.5
228.13228	5.0
228.16779	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	226.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
56.04735	0.5
56.17669	0.5
57.03453	9.2
57.97558	1.0
59.01382	5.9
60.99306	1.1
61.98836	35.1
64.65824	0.6
65.85606	0.5
67.01894	1.5
68.99821	5.2
69.03464	1.5
71.01389	32.6
71.58772	0.9
72.99313	4.4
73.02957	4.5
74.02466	0.8
75.00861	0.8
76.06775	0.5
82.02996	2.1
83.01389	11.7
84.04527	0.6
84.99323	0.8
85.02956	12.9
87.00889	5.9
88.04064	1.2
96.04559	0.6
96.99319	1.7
98.02499	1.1
99.00890	26.1
100.04050	1.0
101.02451	2.4
109.04107	0.8
111.00893	37.9
112.01220	0.6
112.98819	100.0
113.99161	2.1
115.00407	3.3
116.07176	1.5
124.00403	1.9
124.04072	0.5
124.98812	1.3
127.00407	0.7
127.05138	3.3
128.03578	1.8
129.01949	23.3
130.08762	0.8
140.03558	3.6
142.99869	12.3
145.01410	2.4
145.06195	15.3
146.04666	1.0
151.00128	0.7
152.95976	0.9
153.58650	0.6
154.01167	2.7
166.99640	1.0
168.01556	0.7
168.02977	9.3
169.01198	0.8
172.99417	1.2
173.00919	24.0
173.03098	1.0
174.01266	0.8
178.29333	0.5
183.00667	1.0
189.00018	0.6
191.01987	4.2
208.98601	1.6
210.02551	0.7
226.99651	8.1
227.01688	0.7
228.05228	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	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10862	2.5
59.01361	11.1
61.98818	7.2
71.05009	2.8
73.02942	4.8
93.03431	8.1
95.05038	6.0
98.19858	8.6
109.06599	6.0
163.11349	16.9
181.12347	52.4
207.10265	16.0
225.00502	4.0
225.11317	100.0
226.11691	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	225.1497
Annotation	Annuionone E
Peak:m/z	Relative Intensity
53.24250	0.5
59.01386	3.5
61.98825	2.3
69.03475	0.7
70.90911	0.9
70.91240	0.7
93.03513	0.6
97.06596	0.6
123.64730	0.6
131.49965	0.5
132.06001	0.7
143.07141	1.2
163.14891	0.8
178.83464	1.1
181.12372	1.8
181.15942	1.0
189.12854	0.8
195.13896	7.7
196.14171	0.6
197.15480	5.0
207.13892	25.4
208.14253	1.9
225.00438	0.7
225.11320	2.7
225.14963	100.0
226.15291	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	225.161
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
59.01377	2.3
62.14227	0.5
69.78111	1.1
69.78515	1.9
71.01364	0.6
72.99300	1.4
74.76823	0.5
75.74374	0.6
80.05035	0.6
81.03463	13.5
82.20418	0.5
83.05026	75.7
84.05360	1.8
87.16230	0.5
87.35479	0.5
89.00671	0.7
93.03456	7.3
94.06616	2.3
95.05022	1.0
95.05956	0.6
96.00936	0.6
105.03464	2.2
107.06149	0.7
108.04531	1.3
111.04497	0.8
119.05036	5.3
121.02988	1.7
123.04533	0.7
125.07225	3.2
133.02992	0.6
134.03737	1.1
135.04541	2.2
137.00664	1.9
137.02437	1.9
137.09741	0.5
138.05591	1.7
143.08249	2.9
149.02434	2.3
151.02882	0.6
153.34106	0.5
163.04015	4.0
165.00146	9.0
166.00938	2.1
166.12318	0.6
177.01955	0.6
180.99718	0.9
181.03407	0.8
181.05171	1.2
181.12317	1.0
182.04565	1.3
195.03107	0.7
207.03061	0.8
207.15053	10.1
210.50740	0.5
225.00421	0.7
225.02202	2.5
225.04080	5.4
225.11578	2.8
225.16086	100.0
225.99486	1.6
226.16400	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	225.1133
Annotation	Chloriolide
Peak:m/z	Relative Intensity
59.01379	3.3
68.30146	0.6
69.03437	0.8
69.66409	0.6
71.01372	2.7
71.05017	1.1
71.21456	1.2
73.02944	2.1
80.02677	1.0
81.03458	1.1
83.05021	2.7
84.02155	0.9
89.50301	0.7
92.06580	0.6
93.03444	1.3
94.70388	0.7
95.01386	2.6
95.05038	8.0
97.02975	3.7
97.06538	1.0
99.04516	2.5
106.04254	1.8
107.05003	0.9
109.02974	1.4
109.06597	8.9
110.03761	6.2
111.04538	1.5
111.08179	0.7
121.06593	1.7
125.09705	0.8
129.44876	0.8
135.08195	1.4
145.10217	0.9
149.09663	0.6
151.11351	1.1
153.12820	1.7
161.09721	2.1
163.07571	0.7
163.11290	17.6
169.12350	1.3
171.08150	0.6
179.10741	3.4
181.12349	13.9
189.09212	7.2
197.11795	1.9
207.10260	38.9
208.10577	1.6
225.11316	100.0
226.11603	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	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00460	0.4
59.01389	3.4
61.64364	0.4
61.98847	0.6
65.31949	0.4
69.03496	0.5
69.72777	1.4
69.73183	1.0
71.05033	0.5
81.03501	0.5
83.05043	0.8
93.03465	0.8
95.05064	0.4
97.02957	10.0
99.00911	3.5
99.01484	0.5
106.04316	0.5
109.06609	4.3
110.03736	5.0
121.06578	0.7
125.09731	1.0
135.08192	1.7
136.05309	2.3
137.02486	0.7
142.02715	5.9
161.09752	1.0
163.11296	11.3
164.11661	0.6
178.83409	0.7
179.10791	1.0
181.12354	27.7
182.12709	1.4
189.09172	0.7
197.11826	1.5
207.10272	71.1
208.10623	4.1
225.11328	100.0
226.11661	4.1
246.78247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
52.53754	0.6
52.86769	0.7
54.55309	0.6
55.73528	0.7
57.03455	1.4
59.01379	5.4
61.98837	0.9
69.03457	6.6
71.05025	2.1
71.09302	1.4
83.05022	1.5
83.20410	0.7
85.06567	1.3
86.93694	0.7
89.59449	0.7
91.54364	0.8
94.27870	0.7
95.05032	1.3
97.06618	1.3
108.05676	0.7
109.06589	1.1
122.08215	0.7
125.09760	1.5
141.09192	1.0
149.09756	1.6
153.09187	0.9
161.13405	0.8
166.06409	1.2
167.10780	9.2
176.83681	1.6
177.12891	2.5
179.10797	3.0
179.14395	9.9
195.13901	32.6
196.14232	1.4
205.12325	24.1
223.02834	3.1
223.13393	100.0
224.13725	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	225.077
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
57.03448	2.3
57.04647	1.6
59.01382	11.2
65.03958	2.4
66.10912	1.6
66.52385	1.6
67.01898	3.4
68.99821	17.4
69.03472	3.4
70.24580	5.2
71.01388	9.7
71.05043	1.9
73.02940	1.8
75.00890	3.0
75.07478	1.4
79.05554	5.4
80.02684	4.2
81.03478	4.1
83.05022	2.4
84.02189	1.5
85.01376	1.5
88.36561	1.5
91.05549	4.9
93.03462	12.7
93.07107	4.0
95.01373	3.0
95.05039	10.8
97.02948	7.1
97.06583	6.2
99.00877	4.0
99.04509	3.3
100.08704	1.7
103.05555	5.5
105.07104	23.5
106.04272	9.6
107.05031	11.8
108.02184	10.9
109.02987	4.2
109.06583	14.7
110.03754	4.9
111.08159	2.1
119.05026	11.9
120.05819	52.5
121.02969	16.8
121.06609	78.1
122.03785	1.9
122.06915	3.7
122.84472	1.7
123.08166	31.3
125.09719	1.9
125.25106	1.8
130.04352	1.6
131.05019	11.4
133.06601	4.5
134.03706	8.4
134.80940	1.7
135.04549	7.7
135.08170	42.1
136.01747	2.3
136.05339	2.5
137.02481	9.2
137.06084	16.0
137.49907	1.6
138.06891	5.4
139.07626	5.8
142.27776	2.0
147.04517	5.4
148.05305	3.7
149.06084	82.2
150.06403	2.8
151.07649	10.6
151.11301	1.7
152.04811	2.1
153.09253	3.3
163.07655	7.8
163.11273	10.5
164.04695	2.7
165.00226	5.3
165.01857	3.6
165.05563	10.4
165.60822	2.0
166.06351	60.7
167.06931	3.3
170.26070	1.6
175.04068	3.1
179.07103	8.2
179.10753	2.2
180.04401	3.1
181.08719	100.0
181.12270	4.6
182.08989	2.6
189.09274	3.3
193.05077	16.2
195.02989	2.0
195.06633	2.7
199.09744	2.5
207.05171	6.0
207.06863	4.0
207.10226	23.9
210.05344	20.5
225.00522	2.2
225.07724	95.1
225.11261	65.6
225.14975	3.8
226.08005	3.3
226.11674	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0976
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
60.76781	3.3
62.42215	3.6
63.48796	3.8
69.34498	37.0
69.34818	6.4
98.19903	6.1
135.11816	39.6
161.09721	7.3
179.10773	100.0
196.38174	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	223.0977
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
50.53868	5.1
62.06676	4.8
63.71139	4.4
71.37708	9.0
83.94101	4.8
84.83939	4.9
106.63627	4.8
135.11827	28.7
149.02409	5.2
154.53424	5.5
161.09622	5.7
179.09311	8.7
179.10767	100.0
193.01277	6.3
208.03662	10.3
223.09811	6.2
223.13409	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	223.0977
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
54.15569	4.1
59.01371	6.2
62.37436	3.0
67.07652	3.8
69.62177	20.2
80.50729	3.2
92.16931	4.3
95.01393	3.3
95.04985	3.7
135.11821	28.2
141.86916	3.3
161.09750	4.7
176.83714	6.0
179.10776	100.0
186.24762	3.7
193.01314	4.8
223.09799	5.9
223.13403	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	223.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97578	0.4
65.00332	0.8
65.97312	0.3
70.54166	0.4
71.51068	0.4
89.03968	0.9
91.05548	0.6
93.03461	5.8
100.81272	0.4
105.11366	0.4
117.03456	1.4
119.05064	1.5
121.02960	33.3
122.03286	0.6
122.67753	0.5
132.02170	1.6
134.03787	0.4
135.04536	4.6
137.02419	0.9
147.04503	4.4
148.01671	0.5
148.94472	0.5
149.02446	100.0
150.02820	2.2
151.04033	0.6
152.01131	5.7
163.04016	6.1
164.04797	53.6
165.01900	4.2
165.05112	1.4
167.03436	0.8
169.05069	3.0
179.07158	5.8
193.01427	21.1
194.01744	0.7
208.03777	27.7
209.04115	1.1
223.06119	29.2
224.06476	1.1
230.15208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00313	0.6
69.71690	1.6
85.65140	0.2
89.03989	0.9
91.05534	0.6
93.03478	2.4
96.56077	0.3
98.20602	0.5
104.02728	0.3
117.03464	1.0
119.05042	0.9
121.02962	30.4
122.03284	0.9
132.02179	1.5
135.04552	1.2
136.38300	0.3
141.46359	0.3
142.31569	0.2
147.04524	3.7
149.02449	100.0
150.02768	2.8
152.01158	0.8
163.04021	1.0
164.04799	72.0
165.01926	0.9
165.05077	2.2
175.41425	0.3
179.07132	2.1
193.01424	2.5
208.03749	3.0
223.02734	0.6
223.06122	11.6
224.06454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0772
Annotation	Acetyl-L-tyrosine
Peak:m/z	Relative Intensity
54.07904	0.8
57.03442	1.1
58.02978	27.7
59.01376	2.5
63.41970	0.7
69.45010	5.8
70.02991	6.1
71.01363	1.6
72.00909	3.6
72.99292	0.8
74.02477	2.8
78.95915	0.8
81.43692	1.0
85.02959	4.6
85.66135	0.8
86.87204	0.8
87.23746	0.8
93.03462	3.9
96.04508	0.9
98.02544	1.1
98.03927	0.8
101.02439	1.4
106.04228	2.0
107.05039	21.8
108.02203	1.4
109.02963	1.6
111.00909	2.1
112.98833	2.0
116.03532	1.4
119.05038	18.0
121.02969	1.2
125.81428	0.8
129.01932	1.1
135.04504	1.3
146.04645	1.4
151.04034	1.8
163.04034	18.4
178.08746	14.7
180.06670	100.0
181.06987	3.3
199.93974	0.7
205.03561	0.9
207.98448	0.9
222.07726	43.8
223.04482	1.0
223.08031	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	223.0285
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
50.34605	0.2
56.05983	0.2
59.01366	0.3
59.96717	1.1
61.98832	0.8
71.09184	0.3
73.01146	0.2
74.99077	17.8
75.96233	1.0
75.99064	0.2
89.07206	0.2
93.00144	7.5
95.01373	0.2
107.82792	0.1
122.17146	0.2
123.25995	0.2
141.86816	0.3
149.00966	12.2
150.01030	0.3
150.98891	0.7
152.96825	0.2
176.83723	0.7
193.01457	0.3
206.99718	5.6
207.99854	0.5
208.03784	0.3
208.97681	0.2
223.02853	100.0
223.13344	0.9
224.02908	7.4
225.00726	0.3
241.03952	2.0
243.20789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.049
Annotation	2-(3'-Methylthio)propylmalic acid
Peak:m/z	Relative Intensity
57.03447	1.5
59.01383	4.5
67.05528	1.0
69.61594	5.2
85.02966	1.2
101.00040	1.6
101.00671	24.3
111.04526	11.7
113.02463	5.0
129.05562	1.1
131.05365	15.7
133.06601	4.3
140.73215	0.8
159.04869	18.7
161.02792	100.0
162.03143	2.4
177.05914	4.8
199.39896	0.9
203.03857	7.9
217.25543	1.1
221.04884	64.7
222.05264	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0667
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
59.01098	5.6
59.01383	100.0
63.92065	3.2
69.81569	21.9
70.86522	3.8
71.01388	44.4
72.99310	4.1
73.02951	35.9
83.01375	9.4
85.02959	20.4
87.00876	10.0
89.02468	9.5
101.02460	30.9
104.41624	3.5
113.02461	34.6
115.87849	3.3
131.03499	6.0
174.42865	3.5
206.02179	6.2
221.06627	12.4
221.11801	10.8
230.12543	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	221.1547
Annotation	Kobusone
Peak:m/z	Relative Intensity
52.66370	0.1
56.78053	0.2
59.01375	0.6
70.33601	0.1
77.84850	0.1
87.00893	0.2
105.14909	0.1
127.07650	0.7
133.41800	0.1
148.05324	0.3
149.06049	0.4
151.07639	0.5
164.08437	1.9
165.09090	0.2
205.12370	1.8
206.12663	0.9
207.13918	1.6
220.14700	4.0
221.15459	100.0
222.15814	4.9
228.23056	0.2
235.13387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0777
Annotation	2-hydroxy-DL-tryptophan
Peak:m/z	Relative Intensity
55.29873	1.3
57.03430	1.9
57.97567	1.7
59.01374	4.6
59.97146	1.7
61.98834	6.4
65.73910	1.1
67.03015	4.6
70.80537	3.4
71.01391	1.6
72.00916	9.8
73.59330	1.2
74.02479	21.1
75.00856	1.9
81.03459	4.0
83.05025	21.0
86.02503	8.0
92.05091	1.3
101.01828	1.8
101.06091	4.7
103.01439	1.6
106.51391	1.2
107.22527	1.2
116.05116	1.7
118.06631	1.8
124.94576	1.2
127.04046	1.9
130.06633	2.1
131.03793	4.2
131.04942	1.1
132.04562	69.7
133.04933	3.3
135.04498	1.9
144.04556	47.6
145.05099	10.9
146.06125	2.4
147.04514	3.3
157.07713	27.6
158.06117	13.4
173.13986	1.4
175.03972	1.5
175.07509	2.0
175.08774	16.3
176.07150	1.7
201.06734	4.3
219.03093	3.8
219.07802	59.2
219.10226	5.0
219.12236	2.2
219.17548	100.0
220.06229	2.6
220.08078	2.5
220.17880	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	220.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92136	0.5
59.01380	3.7
61.98845	2.5
70.17377	2.1
71.01379	1.8
72.99306	2.9
74.02478	0.6
79.95747	0.6
85.02966	0.7
87.00881	1.4
87.02757	2.1
93.03460	0.6
98.02499	0.4
100.00422	2.9
101.00665	0.7
109.02946	0.6
113.02467	1.0
119.05018	6.8
121.03020	0.9
124.00755	0.6
131.05392	2.3
132.04582	1.7
133.06938	100.0
134.03722	0.5
134.06108	1.3
134.07269	2.0
135.04538	2.3
141.60881	0.5
145.02954	0.6
147.04539	2.0
149.06071	1.5
158.06120	1.3
159.04697	1.9
161.02786	4.0
176.03568	0.9
176.07158	0.7
177.05595	0.9
178.05115	0.6
179.03481	0.6
179.10851	0.6
203.03659	0.6
206.09512	0.6
220.02658	0.8
220.06209	6.1
220.10118	5.7
220.12683	1.3
220.14667	1.1
220.17886	7.3
221.04852	3.2
221.06613	1.4
221.11955	1.3
235.60428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44969	0.6
59.01382	0.7
61.98832	28.3
70.22278	2.3
71.01386	16.9
72.99309	5.6
73.02953	53.0
74.03291	0.8
76.89482	0.6
85.02953	1.1
87.00891	1.1
88.04044	2.4
89.02459	2.3
98.24423	0.6
99.00897	6.8
115.00381	44.5
116.00718	0.7
117.01950	100.0
118.02284	2.2
119.64200	0.6
119.97897	4.6
133.01443	86.7
133.05034	6.3
134.01762	2.0
145.06204	1.9
146.08249	0.7
149.41870	0.6
175.96870	10.0
189.96748	2.7
191.98267	1.4
217.96164	5.5
218.10376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.9918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
61.98834	9.6
69.65578	1.6
70.27273	0.3
71.01385	15.2
72.01716	0.4
72.99310	4.6
84.28204	0.2
85.02967	0.3
87.00897	0.8
89.02438	2.6
98.19920	0.3
103.98406	0.7
108.81470	0.3
115.00380	50.8
116.00724	1.0
118.05119	0.4
119.97903	4.7
120.98028	0.4
133.01439	100.0
134.01813	1.6
145.06190	1.5
154.32175	0.3
169.35327	0.3
175.96875	10.0
176.96883	0.6
217.97734	0.5
220.59261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1035
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
54.65490	0.5
57.01375	0.5
59.01379	2.1
60.97765	0.5
61.68130	0.5
71.01389	10.9
71.05025	19.3
71.18763	1.3
72.00928	0.6
72.05388	0.5
79.90176	0.5
88.04044	100.0
89.04344	0.7
99.04538	6.2
115.00423	0.7
116.03557	0.7
116.07151	2.8
129.05569	1.2
146.08237	49.6
147.04445	0.6
147.08574	1.1
161.97411	0.6
185.78316	0.6
218.10338	27.3
219.10739	0.8
219.17491	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30070	1.2
56.98024	2.5
57.83411	1.1
58.02970	1.3
59.01368	3.0
60.97529	1.6
72.00396	24.6
73.98335	6.8
74.02467	3.6
80.05065	1.4
82.06625	13.7
84.04552	6.3
85.01173	4.1
86.02467	1.7
86.45239	1.3
87.02736	6.3
90.59467	1.4
97.06599	3.0
116.05068	4.7
116.12001	1.2
122.06163	3.0
124.07687	51.5
125.07980	1.3
126.05640	8.1
150.18672	1.2
153.97664	1.2
156.04854	1.3
157.03265	2.9
168.06703	2.0
174.05940	100.0
175.06284	2.3
216.01263	3.8
216.04813	2.9
216.06985	56.9
217.07121	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	217.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01722	1.2
68.92490	0.4
70.19684	1.6
70.20051	0.7
75.34483	0.5
90.97146	1.3
101.34465	0.4
114.98885	1.0
118.96602	0.6
120.71749	0.4
121.25993	0.4
132.98215	2.9
147.78157	0.4
156.99977	1.0
174.99257	28.1
175.99673	0.5
193.78966	0.5
204.55957	0.4
212.83795	0.5
217.00322	26.8
218.00609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17526	0.7
59.01384	48.3
69.30258	6.3
71.01384	1.5
71.05016	1.9
73.04069	13.0
85.02955	2.5
87.00884	1.7
88.04050	9.9
99.04538	0.9
114.09246	0.9
130.08749	83.7
131.09091	1.9
132.98250	2.0
133.01448	1.2
134.03743	3.1
136.43452	0.9
141.10379	1.3
143.11908	22.0
144.04617	0.8
146.08199	4.6
147.04501	1.3
155.11914	0.9
164.50366	0.9
173.06273	0.8
174.05589	1.1
174.99258	13.9
187.10884	100.0
188.11305	1.9
199.10942	1.6
217.00351	9.4
217.05185	1.1
217.11942	42.6
218.10393	1.8
218.12280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1288
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
52.01847	0.7
52.38037	0.6
57.03437	1.4
61.98825	2.2
69.50464	3.2
69.50872	2.0
99.92622	1.1
122.89433	8.6
125.09728	1.9
132.55585	0.8
139.56544	0.8
144.00917	4.3
151.11320	1.0
153.12857	49.4
154.13242	2.3
168.88635	0.8
171.01909	0.9
186.89807	5.0
197.11836	44.5
198.12163	1.9
200.04778	9.7
214.98917	1.6
215.01015	32.2
215.07143	35.5
215.12875	100.0
216.01396	2.0
216.07309	1.3
216.13208	4.5
232.03766	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	216.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96859	0.5
55.94809	0.6
57.97556	0.7
59.01378	3.4
67.03027	0.7
69.28238	2.4
69.28674	2.7
78.34395	0.5
87.00881	100.0
88.01237	1.3
91.74810	0.6
95.95238	1.7
99.00887	2.0
116.05060	8.5
123.98701	0.6
130.06615	0.9
131.91710	0.6
144.04549	1.1
146.06111	1.6
156.04642	0.9
158.06129	0.9
165.00169	1.7
174.99193	0.7
188.07248	1.1
201.05429	0.6
214.35876	0.6
216.01289	1.8
216.06728	2.1
216.13284	0.7
217.07185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.9875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21258	0.6
57.97567	0.7
59.01380	11.1
63.79353	0.6
71.01382	6.7
71.14549	1.0
72.99315	6.6
73.02958	1.0
73.12483	0.5
77.46980	0.6
84.04546	0.5
86.01983	0.7
86.02471	3.7
87.00904	0.9
89.02432	0.8
89.96333	0.7
90.97132	5.1
93.83070	0.6
99.00902	1.0
114.98900	1.4
116.07200	1.4
116.98708	0.8
117.00479	1.9
117.27981	0.6
118.96661	3.6
132.98227	9.2
133.01761	0.8
144.00899	2.3
144.98203	13.2
146.99736	1.5
158.99776	1.2
160.97682	7.5
161.98462	3.2
162.95511	0.8
170.92018	2.1
170.99828	0.6
171.01541	0.8
171.15126	1.4
172.06201	2.0
172.97697	49.1
172.99371	6.0
186.99252	64.5
187.96396	9.6
187.99696	0.8
188.97229	0.7
189.00832	23.9
209.48788	0.6
214.98781	100.0
215.00928	16.0
215.14163	3.6
215.99115	2.8
216.01083	0.8
216.90486	0.6
230.98262	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0715
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
57.03447	0.4
61.98838	0.5
62.83076	0.2
70.01839	0.9
75.14126	0.2
88.92423	0.2
90.08765	0.2
93.17046	0.2
122.04262	0.2
122.89456	3.0
144.00906	1.4
151.11299	0.2
153.12868	11.7
154.13181	0.5
165.22791	0.2
168.88634	0.2
171.01978	0.3
171.13951	0.3
172.05307	3.0
186.89769	2.3
187.07616	0.6
197.11850	9.7
198.12201	0.4
200.04799	27.4
201.05211	1.4
215.01085	9.8
215.07133	100.0
215.12846	23.0
216.01257	0.5
216.07491	4.8
216.13148	1.2
232.03772	11.6
233.04123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
57.03455	0.6
59.01384	0.5
65.17007	0.5
69.03465	0.7
69.63620	3.0
71.98965	0.4
97.06557	0.5
126.18675	0.4
132.82954	0.4
149.24666	0.4
151.11301	13.0
152.11626	0.7
157.44359	0.5
169.12349	100.0
170.12686	3.9
194.99304	0.5
197.99202	0.5
209.28951	0.5
213.09297	1.4
213.11311	13.5
213.14738	2.4
213.18587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
59.01361	1.3
64.15628	0.5
69.03437	0.7
74.82272	0.7
83.64940	0.5
98.20655	1.3
141.97523	0.6
151.11279	11.8
165.47034	0.6
165.58708	0.6
169.12343	100.0
170.12650	4.1
195.10243	1.8
195.13927	0.9
197.99097	0.6
213.09239	2.3
213.11311	17.7
213.14854	4.9
213.18510	1.0
214.11717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
51.49603	0.3
53.53253	0.3
56.06873	0.3
57.83813	0.3
59.01391	0.5
60.56912	0.3
68.33833	0.3
69.50645	2.3
73.17335	0.3
76.69693	0.3
82.52545	0.3
83.05091	0.4
93.03469	0.5
98.20659	0.6
115.76471	0.3
119.66629	0.3
144.77844	0.3
167.25444	0.4
183.13907	28.0
184.14238	1.1
195.13913	23.9
196.14265	0.9
199.51369	0.3
203.03673	0.3
211.13507	0.6
213.14969	100.0
214.15349	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	214.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41167	3.5
59.01394	17.3
65.03965	5.2
69.03455	8.9
71.01376	9.0
71.26504	9.9
72.00918	28.0
73.02962	4.3
74.02483	9.4
79.95757	4.0
81.03462	11.9
83.05050	6.5
84.04551	3.9
85.02969	6.8
87.00846	5.0
90.59447	4.2
92.05069	3.6
93.03475	14.2
95.01378	3.9
95.05042	11.1
96.04564	4.8
99.00894	4.4
106.04290	6.5
106.06620	4.9
107.05045	76.9
107.05775	3.8
108.02199	28.1
108.04604	8.7
109.02956	17.5
110.02477	6.1
110.03728	9.6
110.06203	3.7
114.05579	8.8
116.05067	12.2
118.06641	32.2
119.05034	71.3
121.02970	8.3
122.03773	5.3
123.04527	21.1
128.03523	3.9
133.05365	8.1
134.06142	34.8
135.04546	24.7
136.07693	71.1
142.05109	5.1
144.00887	11.6
147.04564	18.4
152.07162	15.6
162.05605	4.0
163.04004	13.2
164.07176	81.6
170.08154	4.9
180.06682	68.6
196.06168	5.9
214.01549	5.8
214.07156	23.3
215.00995	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	213.1133
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
52.20269	0.5
56.76361	0.4
57.03448	3.9
59.01375	1.4
69.03459	1.0
79.95749	1.4
83.05005	2.2
88.81459	0.4
93.03537	0.6
97.02957	0.5
99.04556	0.5
111.04521	0.5
111.08166	9.7
123.08172	46.9
124.08498	2.0
125.09735	4.6
135.08156	0.6
137.09741	8.6
139.11298	68.2
140.11667	2.4
141.09210	0.4
149.09695	0.6
151.11290	12.4
151.53224	0.5
153.09264	0.7
163.19266	0.4
167.10762	1.6
169.12341	7.9
170.12598	0.5
213.01210	3.8
213.11324	100.0
213.51418	0.4
214.11668	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	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.18383	0.4
55.98895	0.3
59.01363	0.7
61.98827	2.3
66.34929	0.3
69.03461	0.9
70.80866	0.5
70.81198	0.6
74.47636	0.3
83.05022	0.6
93.59231	0.3
95.01389	0.3
97.16085	0.4
100.24113	0.3
122.26788	0.3
123.04533	0.4
124.04043	0.5
137.02464	0.5
137.09729	0.4
155.10776	0.6
165.12869	0.6
166.93655	0.3
167.10796	1.4
167.14377	1.1
181.59473	0.4
183.13904	14.4
184.14166	0.4
193.12312	3.5
211.13402	100.0
212.13770	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	211.0249
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
59.01381	0.9
63.93964	0.5
70.17079	1.0
70.17495	2.1
72.99303	3.1
74.04163	0.5
78.95883	0.6
80.02686	1.7
85.02951	0.9
93.07103	1.6
95.01404	1.6
103.46619	0.5
108.02182	62.4
109.02504	1.7
109.06618	1.2
111.00873	0.7
111.04576	0.6
112.98812	0.7
113.99597	1.9
117.03360	0.7
121.02963	0.9
121.06619	1.2
123.00903	1.7
123.04530	14.2
123.08186	1.7
134.03752	5.0
137.02417	1.8
137.06133	0.9
139.04016	1.2
139.07668	0.6
149.02448	1.3
149.06105	1.5
150.03189	3.9
151.03993	0.7
152.01160	100.0
153.01459	2.7
165.05583	1.8
166.99945	0.7
167.03494	14.4
178.02625	0.7
193.05060	3.9
196.00130	6.6
196.03581	0.6
211.02489	49.7
211.05847	7.2
211.09741	0.7
211.13515	1.3
212.02895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40309	1.5
55.01883	1.5
57.03446	4.2
59.01366	2.5
64.75054	1.5
66.22537	1.4
67.01892	4.5
68.99828	3.5
69.03462	12.3
69.55917	1.5
71.01382	5.9
71.05040	2.2
71.60487	1.6
71.60838	1.5
72.99317	5.2
80.02688	5.5
81.03461	1.5
83.01377	3.8
83.05027	11.6
84.02171	6.8
85.02950	2.6
85.06625	1.6
87.00880	1.8
93.03478	3.5
93.07104	5.7
95.01398	8.7
95.04987	6.7
97.02956	12.9
97.06599	3.1
105.07105	4.7
106.04256	4.3
106.62041	1.6
107.05043	2.5
108.02193	8.8
109.06597	21.4
110.03739	11.9
111.04540	4.3
111.08163	77.6
112.01662	12.6
112.08483	2.6
112.98785	4.4
113.98883	1.5
113.99603	8.8
115.00340	1.6
121.02926	3.2
121.06607	35.7
122.06940	1.4
123.00867	2.2
123.04539	4.6
123.08175	31.8
124.00833	2.5
124.01673	38.5
124.08578	1.9
125.06096	3.0
131.04930	1.9
134.03732	5.3
137.02461	6.4
137.06084	10.3
138.03246	5.2
138.06818	1.5
139.07658	99.0
140.08000	3.6
140.13680	1.5
146.09778	1.4
147.04433	1.6
149.02393	5.5
149.06091	66.7
150.06412	3.1
153.05600	1.9
155.07141	2.4
164.98288	2.4
165.05557	2.0
167.01726	1.9
167.07153	67.4
167.08861	5.5
167.10852	2.4
167.14429	2.4
183.06642	2.9
183.13889	12.7
193.05005	1.7
193.12340	5.0
196.03809	1.6
196.98856	1.4
211.04132	2.6
211.06104	17.7
211.07851	5.0
211.13402	100.0
212.13750	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	209.1184
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
57.03449	0.6
59.01379	1.2
61.92921	0.3
61.98817	0.4
65.00330	0.5
69.03483	0.3
71.01389	0.8
71.15448	0.7
80.02689	2.3
81.03460	2.6
83.01398	0.5
83.05026	8.5
85.02940	2.0
89.02453	0.4
91.01891	0.7
93.03465	1.1
94.03008	1.3
95.01379	0.5
95.05042	1.4
98.89043	0.3
109.06599	0.8
111.08251	0.3
113.34171	0.3
120.02222	0.5
121.02959	43.9
122.03306	1.0
124.04049	3.5
125.06127	0.7
130.58382	0.3
135.04572	0.5
135.08151	1.4
136.01666	0.7
137.02492	0.6
137.06075	0.7
137.09700	0.4
163.11301	7.4
164.22638	0.3
165.00159	0.5
165.01941	0.5
165.09178	0.5
165.12878	4.1
181.12334	1.0
191.01927	0.6
191.10767	1.8
194.02168	0.6
194.05818	0.4
200.22624	0.3
209.01112	0.6
209.04608	6.8
209.11830	100.0
210.07846	0.5
210.12135	5.0
211.35387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.80779	0.5
51.87815	0.6
57.03444	4.3
59.01385	100.0
60.01720	1.1
70.75452	1.5
81.03456	1.5
97.06602	3.2
109.06597	3.5
119.50221	0.6
120.02282	0.8
121.02972	12.0
123.57456	0.6
124.04047	1.5
165.12860	3.9
165.94937	0.6
209.04677	1.7
209.11832	15.8
210.12164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27406	0.2
55.53353	0.2
61.98834	100.0
62.67824	0.2
62.98513	0.2
70.33345	0.8
74.90210	0.2
97.28460	0.2
98.19939	0.3
124.04030	0.8
125.20988	0.2
153.36922	0.2
163.95682	0.4
164.96394	0.4
176.55009	0.2
209.94904	32.5
210.94977	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
52.90145	0.2
59.01368	0.5
80.02683	2.2
81.03465	2.2
83.05032	9.0
93.03481	0.4
95.05037	1.2
96.96024	0.4
97.06602	0.5
109.06606	0.7
121.02960	6.1
121.03835	0.3
124.04043	0.8
125.06104	0.9
125.25233	0.2
132.51480	0.2
135.08176	1.5
141.90594	0.3
147.11775	0.6
163.11296	7.9
164.11658	0.5
165.12848	3.8
166.13225	0.3
181.12354	1.0
191.10828	1.5
209.04527	0.9
209.11838	100.0
210.12173	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01878	2.9
56.52176	0.4
57.03449	2.6
59.01397	2.0
61.30391	0.5
61.98835	3.6
68.99797	0.5
69.03458	1.2
69.43373	1.5
69.43806	1.6
71.01383	1.3
71.05021	1.2
80.02690	1.3
81.03477	4.4
83.01392	28.9
83.05022	3.4
84.02186	1.4
85.02973	1.2
87.24112	0.4
91.01915	0.9
93.03448	1.7
94.02984	2.4
95.05009	1.9
97.02953	0.5
97.06595	5.3
99.04547	0.5
105.88635	0.4
106.04225	0.5
107.05028	0.6
108.02194	0.8
109.06590	1.0
111.00897	0.6
111.04549	0.5
111.08162	0.7
120.02151	0.7
121.02963	59.5
122.02506	0.4
122.03313	1.3
123.08189	3.2
124.04047	6.1
125.09731	25.7
126.10058	1.1
126.52763	0.4
135.04482	0.4
135.08179	2.1
136.01651	0.9
136.07663	0.5
137.02417	1.3
137.06137	0.7
147.11769	0.8
150.03185	0.5
161.09778	0.4
163.11298	11.0
164.11516	0.5
164.98184	0.4
165.01978	0.9
165.09230	0.5
165.12897	3.9
167.03502	0.5
167.10826	0.5
173.09743	0.6
179.03476	0.8
181.12334	1.9
191.10776	8.1
194.02222	0.7
209.00963	1.5
209.04573	8.1
209.11833	100.0
209.94826	0.7
210.04932	0.5
210.12129	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	209.1184
Annotation	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
57.03452	5.2
58.00595	0.7
59.01385	3.4
61.98830	10.1
64.39043	0.6
65.00336	0.9
68.07122	0.6
69.03446	1.7
70.91034	1.4
71.01385	13.8
71.05026	1.3
72.99326	0.7
73.02934	1.5
79.83406	0.5
80.02718	0.9
80.92503	0.7
81.03476	2.1
83.01406	1.5
83.05028	3.9
84.02188	1.2
85.02963	1.2
91.01913	1.2
93.03471	2.8
94.02994	4.4
95.05034	3.1
97.02928	1.0
97.06593	3.8
107.05059	0.9
109.02935	1.1
109.06570	1.2
111.08159	2.3
111.58008	0.6
121.02964	100.0
122.03302	2.1
123.04457	1.1
123.08187	1.2
124.04044	11.1
125.02455	1.2
125.09693	3.8
133.02966	0.9
135.04579	1.2
135.08217	1.2
136.01637	1.5
137.02446	1.3
137.06099	1.0
137.09715	1.5
137.32768	0.7
144.00647	0.8
145.10274	1.9
147.08203	0.6
147.11789	1.5
149.09729	0.8
151.11293	20.3
153.12857	2.9
163.11269	5.8
164.94075	1.2
164.98318	0.8
165.01912	0.9
165.09282	1.1
165.12862	15.9
166.13123	1.1
167.03426	0.8
167.10783	1.0
173.09784	1.5
179.10735	5.4
181.12364	24.7
182.12712	1.1
191.10782	12.4
194.02223	1.2
209.00993	1.0
209.04591	12.1
209.08269	2.2
209.11836	62.6
209.94881	3.3
210.07762	1.0
210.12143	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	209.1184
Annotation	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
57.03443	3.0
58.02301	0.8
59.01378	2.6
61.98836	14.0
69.03452	1.6
69.60696	1.4
69.61100	3.9
71.01389	12.5
71.05030	1.2
80.02708	1.3
81.03468	1.8
83.01398	1.8
83.05031	3.0
84.02168	1.0
85.02960	3.1
91.01910	0.8
92.99826	1.2
93.03476	3.4
94.02993	4.3
95.01405	1.4
95.05028	2.4
97.02973	1.0
97.06604	2.7
100.12270	0.7
105.92494	0.8
109.02962	1.1
109.06583	1.0
111.08155	1.5
118.87357	0.8
120.02153	1.0
121.02962	100.0
122.03295	2.4
123.08224	1.1
124.04031	10.1
125.09735	4.8
133.02942	1.0
135.04504	1.1
135.08148	1.2
136.01665	1.3
137.02335	0.8
137.06090	1.5
144.00699	1.1
145.10243	1.2
147.11819	1.7
151.11299	17.6
152.11610	1.1
153.12859	2.5
163.11267	5.3
165.09172	1.0
165.12866	12.4
167.10925	0.8
173.09679	1.6
179.10765	2.9
181.12358	23.4
182.12639	1.3
191.10771	8.4
194.05913	1.0
203.90147	0.7
209.01131	1.5
209.02715	1.0
209.04582	15.0
209.07841	1.7
209.08369	1.7
209.11839	54.7
209.94942	4.6
210.07892	0.7
210.12119	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	206.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	34.2
59.01372	0.8
69.62916	1.4
69.63322	3.1
70.02988	11.4
71.01382	1.2
72.00906	5.0
91.05532	8.8
91.78025	0.7
107.05037	1.9
119.05012	1.3
134.03751	3.9
135.04527	5.1
147.04530	36.6
148.01740	0.7
148.04883	1.9
154.10353	0.6
162.09268	1.8
163.04007	2.4
164.07173	100.0
165.07460	2.8
177.01970	1.1
192.00711	3.7
192.04266	2.2
206.08223	34.9
206.12460	1.2
207.01244	0.8
207.02972	2.1
207.08476	0.9
207.10271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37171	0.1
50.68474	0.1
59.01386	0.3
61.98837	100.0
62.98538	0.2
70.06149	0.6
77.87407	0.1
81.27774	0.1
91.01927	0.1
92.17712	0.1
136.01712	0.1
148.01665	0.2
149.02527	0.1
162.98520	1.3
162.99791	0.2
164.96417	0.5
177.01958	0.4
192.00647	2.8
192.04324	0.4
193.00998	0.1
206.79173	0.1
206.97450	7.5
207.02852	0.6
207.06621	0.3
207.97627	0.3
226.10318	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1026
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
57.03448	1.9
59.01389	16.5
61.98825	8.6
65.03961	4.0
67.73945	1.6
69.53693	12.6
71.01406	2.5
71.05024	57.4
79.05534	9.4
81.03477	2.8
85.02960	2.7
91.01885	5.5
93.03478	3.4
94.97335	1.6
95.05013	3.3
97.06587	2.2
98.20631	1.9
105.03495	1.6
105.07141	3.2
107.05031	3.7
107.08677	30.4
108.05820	3.7
109.02927	2.0
109.06582	4.2
119.01367	1.5
119.05014	5.7
121.02974	2.2
121.06624	15.5
123.04510	2.0
129.02013	2.0
133.02991	3.1
133.06581	4.7
134.07407	15.0
135.00902	3.4
135.04494	3.1
135.08133	2.7
137.09708	3.6
145.10251	6.8
147.08168	8.1
148.01648	2.8
148.08981	2.3
149.02382	3.5
149.05954	2.1
161.09709	12.5
163.00383	4.9
163.03960	2.5
163.07597	4.4
163.11295	100.0
164.01175	1.9
164.11613	2.6
164.89566	6.5
165.05574	2.4
177.01923	12.6
178.99931	2.0
179.03552	2.0
185.93956	1.6
189.09235	3.8
189.12805	1.6
192.00664	36.1
192.04280	19.2
206.99388	2.5
207.02989	16.3
207.06679	7.0
207.10284	12.7
207.13853	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	208.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.1
59.01390	2.6
60.00914	1.5
63.96246	100.0
64.25002	0.4
64.97018	3.9
66.03514	1.1
68.05060	4.9
69.74902	3.2
71.01386	4.9
72.00428	0.7
72.99322	1.7
75.00885	1.1
75.08380	0.5
79.95741	7.0
83.01397	0.7
84.02180	0.7
85.02960	15.5
85.03449	1.0
89.02461	1.6
93.03477	1.2
106.99635	0.8
111.00906	0.9
121.02966	21.3
121.59887	0.5
124.01716	0.8
129.01973	1.6
132.02237	0.8
133.01419	1.7
133.02998	1.7
134.99142	4.9
135.04515	0.6
137.02498	0.5
146.67717	0.5
147.00961	1.2
147.02960	0.5
147.04596	0.7
149.02483	0.9
150.03220	0.9
160.04488	0.8
162.98589	4.4
176.37790	0.7
179.98878	1.5
190.98123	1.0
191.02037	3.8
191.03459	1.0
193.01411	0.8
194.02281	1.2
207.98369	6.7
208.01161	0.6
209.02950	2.5
209.04678	3.3
219.60800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1598
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
53.87654	0.2
59.01391	0.2
63.82985	0.1
67.59567	0.1
69.85344	0.1
70.92475	0.3
70.92804	0.2
71.01391	0.2
72.99339	0.2
86.53524	0.2
115.00375	0.2
152.61420	0.2
164.15764	0.2
181.34306	0.2
181.83296	0.1
189.12883	1.8
194.99261	0.2
205.15976	100.0
206.16319	5.6
206.18327	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
55.68688	0.7
58.02978	34.5
59.01389	0.9
59.03331	0.7
66.42426	0.7
69.42630	4.6
70.02979	13.4
72.00915	5.0
91.05531	8.0
93.03450	0.8
103.14962	0.7
110.00814	0.9
111.38811	0.7
119.05007	1.3
133.02985	1.1
135.04517	2.8
145.35982	0.7
147.04527	36.1
148.04884	2.0
162.09277	1.6
163.03969	1.1
164.07167	100.0
165.07538	4.1
177.01904	1.0
192.00606	3.7
192.04257	2.3
193.94116	0.7
206.08217	36.2
207.03056	1.1
207.06673	1.2
207.08397	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97554	0.7
59.01381	4.9
63.16835	0.5
68.99821	0.6
71.01383	5.9
71.60224	0.7
72.99313	2.7
75.00867	2.4
83.01382	0.7
85.02962	1.0
87.00860	2.5
93.03482	0.7
93.07095	2.1
96.99294	0.6
99.00874	1.4
105.07111	0.9
107.05048	0.7
109.02979	0.9
115.00379	4.6
117.03471	0.9
123.08163	1.1
124.98851	0.6
127.00416	0.8
129.01952	0.7
133.10236	1.1
135.11789	1.1
142.99875	0.8
145.01407	1.0
145.10249	1.1
145.79982	0.5
146.03763	2.2
149.06064	1.2
149.13313	0.9
150.06821	0.5
158.46266	0.5
159.11722	0.6
160.05307	1.9
161.06094	26.9
161.09767	1.7
162.89372	1.9
163.11337	0.7
173.06100	0.8
175.07654	22.6
176.08012	0.7
177.12863	20.9
178.06367	17.8
178.13249	1.0
179.06708	0.8
187.11366	2.8
188.08568	0.6
189.09184	5.3
190.09996	12.8
205.01453	1.1
205.12343	100.0
205.15965	8.3
206.12643	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56717	2.4
55.01867	2.9
57.03432	3.3
58.00587	2.5
59.01385	31.5
61.98840	4.7
68.99812	8.8
70.73288	2.7
71.01387	49.1
71.59438	3.7
72.99310	39.6
73.02952	6.2
75.00874	15.3
83.01402	6.1
85.02966	3.7
85.06611	18.0
86.52301	2.4
87.00879	21.6
87.27747	2.3
89.02468	3.9
96.99334	4.9
97.06597	34.7
97.64220	2.5
99.00878	16.7
99.08189	3.8
101.02502	3.9
103.00364	5.1
105.03503	3.7
107.05006	2.5
111.00867	9.0
113.06098	6.0
115.00373	50.4
115.04002	3.1
117.01953	6.4
117.03448	4.4
119.05036	5.5
121.02959	3.9
124.98818	7.0
125.06071	10.9
127.00359	7.3
129.01910	7.6
129.05577	2.6
133.02931	5.4
133.06602	8.4
135.04521	2.8
141.05563	24.3
142.99864	12.7
143.07149	48.4
145.01439	4.6
146.03748	2.7
147.04506	2.6
154.99886	7.3
159.04489	2.8
159.06659	6.6
161.02379	4.6
161.06114	14.0
162.89355	19.9
163.11278	6.3
164.07170	5.5
169.05026	13.6
175.02412	5.8
177.01955	4.3
177.05576	5.4
187.06126	100.0
187.11244	2.5
190.02823	2.8
190.06258	4.0
204.90495	3.5
205.01389	5.0
205.05063	20.3
205.07130	6.8
205.08719	9.5
205.12375	13.8
205.15952	45.5
206.04842	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	205.0441
Annotation	CHEBI:80544
Peak:m/z	Relative Intensity
56.58419	3.9
57.03456	6.7
57.97569	16.0
58.02980	21.9
59.01380	22.3
68.99811	4.5
70.03001	7.1
71.01393	37.4
72.00937	4.4
72.99317	14.9
73.02956	35.6
75.00864	11.4
80.88324	3.7
83.01403	7.2
83.05051	5.2
85.02957	11.4
87.00900	15.7
91.05576	6.8
93.03417	3.7
99.00879	12.1
111.00891	11.4
113.06091	4.2
115.00364	26.6
117.03439	9.2
119.05016	5.4
121.06688	3.7
133.02953	13.1
133.06589	12.1
135.04530	12.5
137.84521	3.4
142.99854	9.9
146.04019	6.0
147.04549	27.7
149.06094	6.8
154.99838	4.7
157.05156	5.2
159.04556	4.8
161.02452	14.0
161.06065	28.3
162.89383	14.0
164.07169	64.2
171.05711	19.4
177.05516	5.2
190.02760	6.4
205.01501	5.7
205.04182	100.0
205.08685	10.7
205.12395	6.1
205.15994	45.9
206.04712	7.2
206.08212	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.5
55.14207	1.3
57.03432	2.0
57.97574	3.6
58.00576	2.5
58.02963	3.9
59.01380	76.2
59.35662	1.4
60.99309	3.1
61.98833	92.2
65.00325	1.4
67.01875	1.8
68.99825	13.4
71.01385	92.9
72.00912	2.3
72.99311	45.8
73.02947	13.7
74.02461	2.3
75.00876	43.2
80.99825	1.7
83.01394	14.6
85.02950	7.0
87.00882	55.2
88.98795	2.0
89.02448	6.1
96.99328	6.3
99.00882	38.2
100.98832	2.6
101.02448	9.2
103.00381	6.9
104.03561	8.2
105.01921	7.0
109.04066	1.6
111.00898	19.3
112.98813	18.1
114.02052	1.5
115.00377	100.0
116.00681	1.9
117.01945	16.7
118.03296	3.6
119.94693	5.2
124.98811	17.9
125.02433	2.5
127.00362	12.2
127.05165	3.8
129.01955	19.1
133.01399	3.8
138.78046	1.6
142.99866	29.4
144.95422	1.5
145.01457	19.0
145.06174	14.2
146.04611	1.9
146.96568	2.9
147.03024	4.2
147.06641	6.3
154.99873	14.8
157.01346	1.7
159.02924	1.4
161.06059	1.5
173.00912	6.0
175.02487	9.8
205.03522	2.6
205.05260	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	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97528	1.4
55.01879	11.2
58.00595	3.2
59.01382	86.2
60.99305	2.2
67.01886	1.7
68.99823	13.2
70.74593	1.5
71.01385	94.2
71.46733	2.7
72.99310	43.3
73.02943	14.4
74.64407	1.3
75.00880	42.6
83.01393	13.9
84.99315	2.3
85.02964	2.4
87.00880	53.3
89.02466	6.9
94.57188	1.6
96.99331	7.1
98.00108	3.1
99.00887	32.8
101.02470	10.8
103.00359	8.3
111.00900	15.6
112.98812	13.6
115.00381	100.0
116.00768	2.8
117.01958	15.8
124.98814	19.0
125.02429	2.4
127.00376	10.0
129.01945	14.0
131.03606	1.8
142.99873	26.5
145.01424	19.3
154.99881	17.8
157.01427	2.7
169.01465	1.8
173.00914	7.0
174.18298	1.8
175.02446	10.0
205.03517	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65526	0.1
59.01383	5.6
60.01720	2.0
61.01811	0.5
61.98833	100.0
66.64144	0.1
71.07876	0.3
115.00392	0.2
118.27638	0.1
131.28690	0.1
159.03375	0.1
160.03830	0.2
163.11330	0.1
203.99966	0.7
204.02696	1.0
205.15974	0.2
223.22914	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	204.0666
Annotation	Indolelactic acid
Peak:m/z	Relative Intensity
59.01366	0.8
70.83296	1.4
70.83643	0.6
71.01385	1.1
72.99310	24.6
75.00891	1.6
77.56489	0.6
115.00381	1.0
116.05070	34.2
117.05435	1.4
128.05074	20.2
129.05475	0.7
130.06628	24.6
132.04539	4.3
133.03036	0.6
142.06627	32.8
143.06992	1.4
144.04573	4.0
146.06090	1.5
156.04604	0.9
157.05351	0.7
158.06117	86.7
159.06468	2.5
160.04054	0.8
160.07782	1.1
162.89426	0.6
163.11293	0.7
172.04022	5.7
175.97028	0.5
176.10881	0.8
186.05611	31.5
187.05923	1.8
189.05614	0.5
190.02823	0.8
204.06654	100.0
204.10379	2.9
205.06973	4.0
205.12350	1.3
205.16028	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0827
Annotation	Tryptophan
Peak:m/z	Relative Intensity
52.25556	0.9
59.01389	7.6
70.95263	2.1
70.95616	0.9
72.00915	20.3
73.62914	0.9
74.02480	31.4
75.02784	0.7
80.68140	1.0
89.77304	0.8
116.05073	100.0
117.05416	3.2
130.06631	3.3
142.06622	28.0
143.07077	1.7
157.07668	1.2
159.09293	17.0
160.04089	1.1
161.04878	1.3
171.48959	1.0
186.05602	3.2
203.08272	63.7
204.08531	1.8
223.99347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
50.47475	0.7
57.03446	6.8
59.01382	9.3
59.84972	0.5
64.64250	0.6
69.03466	1.2
71.05035	0.9
71.31913	0.7
71.32241	0.7
72.23451	0.6
72.75888	0.7
83.05042	1.3
87.04526	1.0
97.06588	1.1
99.92602	1.5
102.97202	0.6
103.90105	0.6
111.08163	6.5
113.02480	0.7
117.03445	1.6
137.09717	7.0
139.11295	100.0
140.11632	4.1
141.02003	1.2
141.93617	1.1
153.09206	1.2
157.12309	3.5
159.89380	1.1
164.83525	1.1
173.06105	1.4
175.81395	0.6
183.10271	37.3
184.10616	1.3
197.68793	0.6
201.05545	2.8
201.11314	98.2
201.80193	0.8
202.11665	3.3
223.96069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1497
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
56.47990	0.2
57.03466	0.3
59.01388	4.9
59.35662	0.2
61.98860	0.4
65.30309	0.2
69.59168	1.6
78.40312	0.3
83.05025	0.3
83.80724	0.3
99.92607	0.6
116.92852	0.6
125.09772	0.3
139.11311	0.5
141.01927	0.6
141.93657	1.0
155.14412	6.0
156.14822	0.3
158.89301	0.5
159.89392	0.7
164.83598	0.8
166.83264	0.4
177.59354	0.3
183.13899	2.4
199.13431	1.1
201.14967	100.0
202.15297	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.9971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29393	0.3
59.01367	1.2
61.98832	31.4
71.01393	0.4
71.07867	0.6
73.02950	45.6
75.00897	0.5
79.37940	0.3
96.83207	0.3
99.00887	6.6
103.98405	0.7
117.01945	100.0
118.02302	1.3
118.05065	0.3
127.05128	0.6
128.03499	0.4
140.91086	0.3
145.06177	1.8
176.00510	11.6
176.29094	0.4
177.00696	0.6
183.98625	0.7
190.02158	0.4
201.98285	3.0
202.00046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0768
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
50.77554	1.2
50.95892	1.2
52.38578	1.2
57.03447	3.4
59.01383	100.0
83.05039	1.9
84.64426	1.3
85.02949	1.8
85.06573	2.3
95.05027	1.9
95.35735	1.2
97.06586	1.6
99.08156	1.9
99.92591	2.0
103.00386	7.7
104.15742	1.2
115.07655	1.9
121.02944	5.9
121.06554	1.4
127.07736	1.7
129.09230	4.7
130.08743	3.9
139.07629	2.2
141.01950	2.6
141.05603	18.2
158.89375	1.9
159.06721	1.5
159.89381	2.4
173.05957	2.3
201.02078	1.3
201.05603	4.9
201.07675	22.4
201.09453	2.2
201.11380	4.1
218.90697	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
52.58491	0.4
57.03451	3.2
58.00597	0.7
58.02964	2.4
59.01391	2.7
69.03465	0.6
69.63429	2.8
71.05035	1.2
73.02969	0.6
83.05019	1.3
84.02165	0.7
85.02975	1.5
95.05022	0.4
97.06591	8.2
98.19873	0.9
99.08165	6.5
103.04048	0.6
109.06632	0.7
125.06059	0.5
125.09721	2.9
127.10361	0.5
127.11303	10.1
128.11639	0.5
129.56808	0.4
130.06705	0.7
135.08199	0.6
137.09749	1.6
139.11285	4.6
141.01906	0.7
143.07140	2.6
155.10786	3.0
157.12346	1.4
159.04462	0.4
165.09216	1.7
171.10289	1.9
172.05287	0.8
173.06097	1.5
181.08728	2.3
183.10321	5.4
184.36320	0.4
186.06876	0.8
199.09729	1.3
201.05560	1.8
201.11337	100.0
202.11720	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	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54018	0.4
53.09616	0.3
59.01383	100.0
59.75089	0.3
60.01728	0.6
62.65492	0.4
70.77721	0.8
100.76289	0.3
132.38647	0.4
157.03604	6.0
159.01495	2.3
171.57417	0.4
174.84198	0.4
201.02556	12.5
202.02733	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01728	0.6
61.98835	2.3
65.12769	0.3
68.47906	0.3
70.76612	0.9
71.01388	1.0
73.02956	0.4
74.30759	0.3
82.06646	0.4
85.20850	0.4
87.00858	0.5
88.04047	7.4
94.05183	0.3
99.00886	0.3
115.02531	0.4
117.00415	0.4
117.01930	0.5
129.10387	0.6
130.08748	0.8
131.03851	0.7
134.03758	0.7
139.11307	0.4
140.10815	0.5
157.03566	4.5
157.13478	1.9
158.99593	0.5
159.01508	2.8
170.07509	0.3
172.97679	1.0
173.01172	0.7
175.02768	3.5
176.00499	2.1
189.01775	0.5
201.00748	1.7
201.02557	10.5
201.05530	0.6
201.10860	0.5
201.12497	5.5
201.98511	0.5
202.02716	0.8
202.12708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0718
Annotation	2'-Aminobiphenyl-2,3-diol
Peak:m/z	Relative Intensity
57.63863	0.5
59.01380	1.9
59.90582	0.5
70.21799	1.8
71.01369	0.9
73.54706	0.6
83.04253	0.6
98.19968	0.7
116.05067	100.0
117.05435	3.5
128.05052	3.5
128.07204	0.6
130.06633	27.5
131.03833	1.0
131.06960	0.8
142.06624	43.3
143.06973	1.8
144.04552	3.7
144.08195	8.3
146.06102	1.6
153.05867	1.9
154.06636	21.0
155.07004	0.9
156.04607	1.6
156.08163	4.6
157.05334	20.3
158.06126	6.0
160.07668	2.5
170.06117	14.2
171.06863	1.6
172.04019	1.5
172.07689	20.3
173.07999	0.9
182.06104	4.5
200.07178	49.5
201.07501	2.4
201.11334	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03457	0.9
57.52601	0.4
59.01376	0.8
61.95493	0.4
61.98826	2.3
62.78027	0.3
67.01902	0.4
71.01390	0.7
71.05023	4.1
73.02914	0.6
81.03452	0.5
83.05029	1.0
85.02953	0.6
92.99802	0.8
97.02953	0.4
98.19907	1.0
99.00894	2.3
99.04519	0.5
99.08174	1.9
99.92626	0.4
109.02974	0.6
111.00883	1.0
113.02427	0.7
125.06062	0.5
125.09734	2.2
127.00410	0.7
127.04005	0.6
153.12822	0.6
155.10774	2.3
155.14413	4.5
156.89507	1.2
162.83916	6.0
164.83614	5.4
175.59892	0.4
179.55891	0.4
181.08867	0.5
199.13399	100.0
199.17120	3.8
199.80534	4.1
200.13756	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	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03452	0.3
59.01381	0.4
67.01881	0.5
68.99820	0.3
71.01373	0.4
71.05019	0.9
73.02976	0.4
73.56802	0.2
73.75748	0.2
80.29793	0.2
83.01392	0.3
83.05020	0.6
85.02955	0.5
92.99826	0.4
97.06621	0.4
99.00912	1.5
99.08153	0.5
101.16718	0.3
109.02954	0.4
111.00864	0.5
113.02483	0.5
125.09739	1.5
127.00387	1.8
127.04003	0.5
127.11302	3.4
137.09763	0.4
153.12819	1.6
155.10774	1.2
155.14433	0.5
156.89468	0.7
162.83864	1.8
163.11298	0.9
164.83560	2.1
169.12410	0.5
171.10262	0.5
181.12338	1.2
197.11798	1.5
198.90652	0.4
199.13400	100.0
199.80475	1.9
200.13753	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	199.134
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
52.16818	0.4
59.01368	1.2
60.48270	0.4
68.54473	0.4
68.99834	0.5
71.05025	0.4
74.78815	0.4
83.05029	0.6
99.00880	1.1
102.49293	0.4
111.00857	0.5
127.00368	1.5
138.46733	0.4
155.10809	1.0
156.89481	0.6
162.83945	1.5
163.11314	1.3
163.83960	0.4
164.83621	1.0
169.12352	8.4
171.45686	0.5
175.48242	0.4
181.12352	23.3
182.12660	1.3
197.11835	2.1
199.13403	100.0
199.80501	1.5
200.13750	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	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
52.06059	0.5
57.03442	1.2
59.01375	3.0
61.98818	1.2
67.01885	1.1
68.99818	1.0
69.03456	0.8
69.49923	1.7
69.50351	2.1
71.01387	0.7
71.05045	2.3
73.02954	1.7
81.03461	0.6
83.01383	1.1
83.05024	3.4
85.02950	1.0
92.99818	0.8
95.05025	0.6
97.02983	0.7
99.00885	3.2
99.04536	1.1
99.08156	1.5
109.06639	0.7
111.00883	1.9
111.08171	0.5
113.02486	3.4
115.92069	0.5
118.60653	0.5
125.02430	0.7
125.06075	1.0
125.09686	0.5
127.00388	1.6
127.04044	1.9
135.08177	1.5
137.06052	0.6
137.09734	7.5
138.52194	0.6
139.84309	0.5
144.62718	0.6
155.10793	100.0
156.11168	3.5
156.89494	2.1
162.83905	4.9
164.03070	0.5
164.83643	5.0
180.97838	0.5
181.05020	0.8
181.08690	4.8
184.02773	0.6
198.90811	0.7
199.06255	1.1
199.07858	0.5
199.09737	12.2
199.13397	11.6
199.17041	7.9
199.80461	4.3
200.13853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
51.74587	1.0
53.17080	1.1
57.03439	3.6
58.00600	11.5
59.01381	7.5
61.98843	5.1
67.01881	2.2
68.99817	3.4
69.03452	5.7
71.01387	7.3
71.05012	5.0
71.59919	1.9
72.99290	1.4
73.02955	31.3
83.01398	3.8
83.05035	4.9
84.02176	4.2
85.02956	4.3
92.99857	2.5
95.05026	3.6
97.02872	1.2
97.06590	4.5
99.00900	11.0
99.04535	1.9
99.08139	5.8
99.92595	1.4
101.06116	2.0
109.02957	1.5
109.06585	1.9
111.00892	4.7
111.04496	1.5
113.02452	7.3
119.08628	1.1
121.66010	1.1
123.04624	1.1
123.08186	3.9
125.02493	1.5
125.06100	10.6
125.09727	21.5
127.00406	5.2
127.04028	2.9
127.07697	1.4
127.11290	12.3
133.06558	1.4
135.08176	3.4
137.06123	1.5
137.09738	19.0
139.04034	1.2
141.09242	4.6
143.10779	3.9
151.07622	4.3
153.09232	7.0
155.10780	22.1
156.89507	6.4
162.83928	21.1
163.07643	3.3
164.82382	0.7
164.83638	18.0
171.10280	66.8
181.08733	10.6
181.12352	1.9
199.06091	2.8
199.09766	100.0
199.13396	17.8
199.17041	15.0
199.80504	14.6
200.10104	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	199.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
57.03448	1.2
58.59441	0.6
59.01380	2.6
59.74306	0.7
69.03458	1.2
71.01383	4.5
71.05016	1.1
71.37257	0.7
73.02948	6.1
81.31519	0.8
83.05023	1.0
84.02157	1.6
85.02952	3.8
86.03741	2.5
97.06576	4.3
99.00897	2.0
99.02003	4.2
99.08173	1.7
99.65670	0.7
101.02422	0.7
112.05305	11.3
115.07677	3.9
125.09723	2.2
127.00395	2.3
127.07624	1.9
127.11298	5.5
129.01962	4.5
130.02728	33.5
137.09732	10.2
141.04890	0.7
143.55568	0.7
153.09184	0.9
155.10789	100.0
156.11082	3.4
156.89410	0.9
162.83908	0.8
171.08185	1.1
171.10277	1.1
181.08783	3.4
198.06306	0.8
199.04065	1.5
199.07854	1.3
199.09689	7.6
199.13327	4.5
199.17076	3.7
200.04875	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03424	0.3
59.01369	0.3
69.80092	1.3
71.01389	0.3
71.05041	0.7
72.94176	0.3
73.02952	2.8
80.52309	0.2
81.20367	0.3
83.05031	0.5
85.02978	0.4
94.68706	0.2
97.02936	0.2
99.00903	0.5
99.04519	0.3
113.02467	0.3
124.70641	0.2
127.04003	0.3
132.51128	0.3
135.08182	1.5
137.09741	8.5
138.10059	0.5
155.10794	100.0
156.11136	3.0
156.89555	0.5
162.84000	0.3
171.75954	0.2
181.08707	0.3
181.66373	0.2
199.06105	0.3
199.09781	6.7
199.13338	1.9
199.17078	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	Stagonolide C
Peak:m/z	Relative Intensity
50.43324	0.4
55.01880	0.9
57.03441	1.0
57.29006	0.5
59.01384	59.0
60.01723	0.6
69.03461	1.1
71.01379	0.9
71.05021	3.1
71.31358	0.9
80.02688	4.0
81.03465	6.7
83.01392	2.1
83.05032	74.9
84.02177	10.7
84.05356	1.7
85.02966	0.8
92.99822	0.5
95.05005	2.2
97.03002	0.6
97.06578	1.6
99.00896	1.4
99.08170	1.5
99.95042	0.5
107.05034	1.0
109.06599	14.8
119.08689	1.5
121.06595	0.8
125.09752	0.8
127.04005	0.6
133.06596	0.6
135.08170	26.3
136.08521	0.7
136.98715	0.5
137.09726	9.5
145.06610	0.8
147.98224	0.4
149.06052	0.6
153.09273	0.7
155.10794	2.8
156.89481	0.7
162.50455	0.4
162.83911	3.4
163.07686	4.6
164.83617	2.9
171.59477	0.5
181.08713	100.0
181.56714	0.5
182.09047	3.6
198.93663	0.4
199.06161	0.7
199.09793	2.7
199.13382	2.5
199.17032	2.5
199.80499	2.6
207.09598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
57.03440	4.2
58.00602	10.9
59.01387	7.9
59.57594	1.3
60.56786	1.3
60.99336	1.2
61.98833	5.0
67.01887	1.5
68.99833	2.0
69.03464	5.5
71.01374	8.7
71.05019	4.7
71.59914	1.2
71.60435	1.2
72.99303	2.7
73.02951	31.4
81.03455	1.4
83.01390	3.2
83.05029	7.3
84.02171	5.3
85.02960	4.8
85.06567	1.8
92.99829	3.7
93.03513	1.2
95.05059	3.1
97.02950	1.4
97.06591	4.2
99.00897	9.4
99.04516	1.5
99.08154	5.7
99.92596	2.5
101.06089	2.0
109.02926	2.0
109.06607	3.2
111.00887	6.7
113.02455	4.9
119.08675	2.6
123.08164	5.1
125.02361	1.3
125.06094	14.0
125.09734	21.8
127.00367	4.3
127.04017	5.3
127.11304	11.6
135.08183	4.2
137.09738	19.4
141.09235	4.5
143.10768	5.0
145.06310	1.3
151.07671	6.1
153.09210	10.1
154.99800	2.0
155.10779	23.3
155.14450	1.9
156.89438	7.2
162.83902	23.1
163.07668	3.2
163.83971	1.9
164.83624	21.3
171.10277	62.0
181.08708	7.6
181.12413	1.4
198.98994	1.6
199.06116	4.4
199.09766	100.0
199.13419	41.8
199.17036	15.2
199.80484	18.9
200.10088	2.9
200.13692	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	199.01
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01377	7.3
61.98836	1.5
65.68742	0.4
71.01387	23.1
71.05035	1.0
72.99321	0.4
73.02966	1.3
73.37450	0.4
74.91817	0.4
74.99384	1.3
75.92633	0.4
82.02986	0.6
84.08218	0.4
84.16883	0.4
85.02967	0.6
87.33900	0.4
87.92535	0.4
103.52328	0.4
110.02443	0.6
110.06123	2.7
111.03022	0.8
113.02461	0.8
117.00463	4.6
117.01929	0.9
118.00465	0.5
127.02516	3.2
127.03975	0.6
128.07187	1.6
129.00421	2.0
129.04103	8.2
130.04160	0.7
131.02026	4.4
137.06064	0.5
139.95122	0.4
153.00494	0.7
155.02008	6.8
155.10786	0.8
156.99934	13.9
158.00043	0.6
171.01508	13.3
172.01642	1.0
173.03061	100.0
174.03209	6.7
182.04533	0.7
187.04651	0.4
199.00992	42.3
199.13437	1.1
199.17058	1.3
200.01128	2.5
200.05620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
59.01371	0.2
61.21706	0.2
62.24139	0.2
69.34022	0.2
69.47009	0.8
69.47429	0.8
73.02953	3.4
83.05030	0.3
85.02937	0.3
99.02019	0.5
109.06626	0.2
135.08185	1.8
137.09729	9.2
138.10039	0.2
155.10789	100.0
156.11130	3.2
196.79985	0.2
199.09760	5.5
199.13425	0.6
199.17044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.86520	0.9
59.01376	2.6
61.98838	2.8
65.00322	1.0
67.17964	0.6
69.03456	2.9
69.51850	5.1
71.01394	0.8
71.05019	1.0
78.95924	0.7
83.05030	2.1
95.01366	1.4
96.96015	0.8
97.02956	1.0
98.39326	0.7
109.02953	2.6
112.01656	2.0
116.92883	4.6
121.02936	3.5
123.00881	4.9
123.04578	0.8
125.02462	1.2
125.06078	0.7
125.09715	0.9
126.90517	5.6
135.08076	1.1
138.03201	1.6
141.09206	0.8
141.88254	0.8
153.01953	1.3
153.05542	2.0
153.09192	3.5
153.12874	4.7
160.84209	15.0
162.83923	37.2
166.99844	4.7
169.12357	16.0
169.13805	0.9
179.10806	1.3
182.00499	1.3
182.02191	10.2
196.89474	1.3
197.00827	1.4
197.04607	4.0
197.08247	3.3
197.11836	100.0
197.80792	22.9
198.12163	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	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
61.80121	0.2
61.98837	1.3
65.00314	0.4
67.78831	0.2
69.03456	2.1
69.34935	0.9
69.35361	1.5
71.01386	0.5
72.99311	0.3
81.03471	0.5
83.05036	1.2
95.01399	0.7
96.96032	0.4
97.02969	0.4
97.06596	0.7
101.72095	0.3
107.05067	0.3
108.02228	0.3
109.02954	1.0
111.00916	0.4
111.04544	0.3
116.92849	1.5
121.02962	1.2
122.02073	0.2
123.00917	2.3
123.04516	0.4
123.08153	0.7
125.02425	0.3
125.09718	0.3
126.90506	2.0
129.21724	0.2
135.08165	0.8
137.09760	0.3
138.03262	0.4
141.09245	1.0
151.11311	0.8
153.01900	0.6
153.05632	0.6
153.09233	2.7
153.12854	4.4
160.84204	6.1
161.84229	0.4
162.83920	13.7
166.99887	1.5
169.12347	17.5
170.12692	0.8
178.99881	0.5
179.07199	0.5
179.10768	2.1
182.02211	4.3
182.05931	0.4
196.89534	0.5
196.98483	0.3
197.04553	1.2
197.08228	2.6
197.11847	100.0
197.80801	7.1
198.03932	0.2
198.12201	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	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03442	1.4
59.01384	23.9
61.98804	1.4
69.03430	1.8
70.89283	2.2
70.89626	2.3
71.01379	1.8
83.05028	2.7
95.01379	2.1
107.08655	3.1
109.02921	2.6
111.00925	1.4
116.92866	3.6
121.02966	5.0
123.00901	6.6
125.02467	1.5
125.09701	1.4
126.90497	6.3
135.11774	7.0
135.29355	1.2
138.03253	2.0
149.09721	5.1
151.11293	1.2
153.01929	1.4
153.05560	2.6
153.09209	3.1
153.12872	3.7
160.84196	15.0
161.09770	1.6
161.84268	1.8
162.82590	2.2
162.83923	32.2
166.99886	4.5
167.10786	27.1
168.11078	1.6
169.12335	8.7
178.99814	1.4
179.10794	27.4
180.11089	1.2
182.00720	1.9
182.02223	11.5
182.05908	1.3
192.85327	1.5
197.00964	1.6
197.04541	4.2
197.08119	3.4
197.11838	100.0
197.80791	18.8
198.12166	4.0
199.29079	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.33264	0.3
59.01374	1.0
61.98827	0.6
69.03462	2.2
70.15191	1.1
77.27209	0.3
83.05033	0.9
90.29984	0.2
97.06583	0.3
97.91024	0.3
109.02972	0.5
112.01591	0.3
116.92834	0.6
117.66635	0.3
121.02950	0.3
123.00900	0.8
123.08162	0.4
125.09748	0.3
126.90501	0.8
141.09209	1.1
151.11305	0.9
153.09222	2.0
153.12868	4.3
158.60774	0.3
159.60950	0.2
160.84207	2.0
162.83919	5.8
166.99863	0.4
167.12082	0.3
169.12344	17.1
170.12724	0.7
179.10736	2.2
182.02182	1.0
197.11829	100.0
197.80779	3.0
198.12160	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	197.0204
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
53.30186	0.5
56.21899	0.6
59.01370	1.4
61.98828	2.9
64.01910	1.4
65.03977	1.4
68.99821	0.6
71.55568	0.8
77.09294	0.5
78.95876	0.6
85.02967	0.9
87.47594	0.6
93.03447	1.3
95.01394	1.6
106.00573	0.6
109.02227	0.6
109.02960	11.7
110.02518	0.9
111.04545	0.9
112.01660	0.8
116.92902	3.7
121.02953	2.5
122.02514	0.6
123.00890	3.9
123.04552	0.6
125.02481	1.2
126.90497	3.7
137.02446	20.0
138.01930	1.3
138.03020	0.7
140.03531	3.3
150.01997	3.5
151.04007	0.6
153.01965	0.9
153.05612	1.4
153.09195	1.4
153.12874	1.1
157.67049	0.6
160.84222	10.5
161.84247	1.4
162.83919	27.6
166.01532	1.1
166.99876	2.4
167.02237	8.8
168.02672	0.6
169.12302	0.7
178.99863	0.8
180.01787	12.1
182.02213	6.4
196.89432	1.0
197.02045	100.0
197.08133	1.7
197.11813	8.2
197.80804	13.8
198.02466	2.5
199.01031	0.5
212.00729	3.6
218.29024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0609
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
57.90855	1.5
59.01360	3.7
61.95010	1.6
61.98839	10.6
65.00303	1.8
69.70982	1.3
70.37155	3.0
70.37514	3.3
83.01374	1.6
95.01403	4.2
109.02943	5.0
111.04502	2.0
112.01678	2.1
116.92863	14.0
121.02955	5.1
123.00900	12.7
125.02470	3.5
126.90508	12.5
135.00874	1.4
138.03235	2.9
151.04022	2.0
153.05562	1.6
153.09212	3.0
153.12863	2.6
160.84204	20.9
161.84236	1.7
162.83923	58.4
166.99841	7.4
169.06584	4.9
169.12361	3.7
178.99858	1.9
179.03464	1.7
179.10631	1.6
182.02200	21.3
196.81039	1.6
196.89485	2.1
197.04550	7.4
197.06096	100.0
197.07985	4.7
197.09933	3.1
197.11847	28.1
197.80812	28.9
198.06305	3.4
203.65591	1.4
213.62628	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0616
Annotation	DL-DOPA
Peak:m/z	Relative Intensity
50.63676	0.8
51.46330	0.7
57.23729	0.7
58.14395	0.7
59.01374	1.9
61.98832	5.4
67.34816	0.7
71.01379	0.9
72.00920	4.3
72.99316	3.2
73.02929	0.8
74.02488	1.5
75.00872	3.1
76.01232	1.3
80.96516	3.2
81.03470	1.9
83.05061	0.8
86.02483	0.9
90.18265	0.7
91.05531	1.2
93.03481	1.2
95.05016	1.6
95.95253	2.6
99.00778	0.9
99.04559	1.3
102.60921	0.8
105.03462	0.8
106.03802	2.6
107.05045	3.5
108.02193	6.3
108.04563	1.9
109.02977	9.4
109.82082	0.8
110.02505	1.3
110.06132	1.6
110.07276	1.5
111.04515	0.9
121.02949	4.5
122.03757	15.0
122.06115	1.2
123.00865	1.8
123.04546	27.9
124.01696	1.3
124.04837	4.4
125.06120	2.4
130.02319	1.2
133.02953	3.6
134.03197	15.1
134.06143	8.4
135.04535	100.0
136.01646	2.3
136.04007	1.2
136.04973	2.5
137.02449	4.1
147.86314	0.8
150.05629	7.8
151.03966	1.1
152.04431	2.8
152.07184	72.1
153.07524	2.3
155.03575	0.9
166.99892	1.3
178.05165	4.6
179.03503	10.1
182.02246	1.3
196.06166	77.8
197.00894	0.9
197.04688	1.6
197.06438	2.2
197.11774	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.1
59.68969	0.6
60.21980	0.5
61.98838	4.1
62.38541	0.6
63.40473	0.5
63.41853	0.6
65.46440	0.5
66.03502	1.1
69.03463	0.8
69.71970	3.0
71.01383	0.8
74.99093	0.9
75.00881	1.5
83.05009	0.9
95.01368	0.7
95.04998	0.9
96.96004	1.6
98.20711	0.7
99.00894	0.5
100.28474	0.6
103.92035	4.2
107.01395	0.5
107.07729	0.6
109.90247	0.5
121.02997	0.9
123.00940	1.1
123.04538	1.4
125.02452	1.0
133.03024	0.6
135.04514	0.6
136.04144	0.6
137.02515	1.0
137.05943	0.6
150.03255	2.9
151.04012	1.0
151.07652	1.0
151.11292	0.8
152.03453	0.6
152.91798	1.0
158.84724	0.6
160.84230	37.9
165.01907	0.9
165.05611	1.5
174.26070	0.5
177.12849	4.2
180.04332	2.5
194.90691	1.1
194.99278	1.3
195.02972	0.7
195.06630	2.6
195.13918	100.0
195.81122	14.9
196.14256	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	195.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38434	0.8
59.01382	4.4
61.60656	0.7
61.98826	4.1
64.12045	0.6
66.08915	0.6
71.01377	1.6
71.59968	0.8
74.99087	0.6
75.00860	1.2
83.04981	0.8
95.01413	0.8
96.96033	2.0
103.92039	4.6
116.09029	0.6
123.00829	0.7
123.04526	0.9
136.05263	1.0
137.02475	0.7
150.03224	2.3
151.04062	0.7
151.07661	1.1
151.11295	0.8
152.91762	0.9
158.84645	0.8
160.84219	33.0
165.01875	1.2
165.05624	1.7
167.03546	0.6
167.90364	0.9
169.04274	0.6
177.12865	4.8
180.04318	2.3
194.90524	1.7
194.99376	1.4
195.06628	1.4
195.13902	100.0
195.81091	15.8
195.91325	0.8
196.14317	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	195.1027
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
57.03446	4.3
58.31377	2.1
59.01384	19.2
69.03461	100.0
69.49971	11.2
69.50381	4.1
71.49790	2.0
83.05029	9.9
85.48323	1.9
93.03461	9.1
95.05024	9.0
97.06581	6.7
107.08620	2.2
108.05820	4.0
113.06097	2.1
121.06592	3.9
123.04520	2.4
133.10217	5.8
149.09689	7.0
150.03200	2.2
151.11302	48.7
159.08127	7.5
160.84175	9.7
167.10854	11.3
177.09221	32.4
195.10284	65.8
195.81003	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	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
52.88046	0.3
54.93140	0.2
61.98825	1.0
71.25166	0.3
85.65482	0.2
99.08192	0.2
103.92023	0.8
107.05004	0.2
109.06601	4.4
111.08170	3.9
122.03745	0.8
123.00899	0.4
123.04522	0.4
125.09721	0.9
135.11801	0.5
137.49138	0.2
138.06865	0.6
139.07646	0.4
150.03186	0.6
151.07623	0.2
151.11301	0.8
153.92299	0.3
154.31801	0.2
156.39957	0.2
160.84219	7.7
165.05580	0.5
165.12799	0.4
167.14418	7.2
168.14717	0.4
170.68288	0.2
179.10767	5.1
179.12209	0.4
180.04359	0.4
180.11320	0.6
194.91855	0.2
195.13910	100.0
195.81128	3.1
196.14255	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	195.0511
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
55.01858	0.7
57.03456	5.2
57.91552	0.7
59.01385	18.1
61.45266	0.7
70.75420	1.2
70.75749	1.4
71.01393	12.4
72.99311	5.5
75.00880	100.0
75.62805	0.7
76.01210	1.3
85.02970	6.6
87.00884	16.5
89.02450	5.7
99.00890	15.6
100.78999	0.8
101.02457	1.6
129.01955	40.2
130.02264	0.8
141.01949	1.4
150.08215	0.6
152.91734	1.0
159.02985	3.7
177.04066	3.6
181.42284	0.8
195.05116	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86910	0.2
64.94540	0.2
68.20304	0.2
69.60403	0.2
89.03977	3.9
98.20725	0.5
106.04285	0.6
117.03474	4.5
127.13566	0.2
133.02965	0.3
134.03749	100.0
135.04074	3.0
137.02429	0.8
149.06099	1.8
176.34406	0.3
178.02742	1.7
193.05069	6.7
194.05447	0.3
214.09653	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
64.64108	0.3
65.62788	0.3
70.95059	0.9
83.14686	0.3
89.03983	2.9
89.66045	0.3
92.04686	0.3
92.95537	0.3
96.61713	0.3
106.04247	0.9
108.07313	0.4
117.03481	7.1
121.02954	0.9
133.02950	1.8
134.03752	100.0
135.04115	3.1
137.02457	4.8
139.04044	1.7
149.06088	7.6
150.03241	0.6
178.02727	16.7
179.03053	0.8
193.05077	13.4
194.05392	0.6
196.03743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12267	0.4
59.13537	0.4
66.54086	0.3
66.71620	0.3
87.96918	0.3
89.03973	3.4
90.15355	0.3
98.19886	1.4
106.04264	0.9
117.03479	6.3
121.02944	0.7
133.02971	1.5
134.03749	100.0
135.04089	3.0
137.02461	3.8
139.04027	1.4
141.83733	0.3
149.06094	7.2
150.03232	0.6
156.79657	0.4
178.01170	0.8
178.02715	13.8
193.05058	13.1
194.05437	0.4
205.61037	0.4
213.83669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03455	7.0
58.33959	0.4
59.01375	1.2
67.01888	2.8
71.00250	0.4
71.00590	0.9
71.01381	0.4
72.99315	0.7
78.19296	0.4
80.62151	0.5
85.02957	29.9
87.00880	49.6
88.01196	0.6
92.06184	0.5
99.00933	0.5
111.00887	100.0
112.01237	2.1
112.52011	0.5
112.98800	1.0
115.27369	0.4
129.01942	6.0
130.99907	0.7
147.03011	0.6
154.99881	0.5
173.00867	2.3
191.01997	9.8
191.05635	0.7
204.75563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03449	0.8
57.07953	0.2
59.01383	0.5
66.93224	0.3
67.01892	0.3
69.29134	2.6
71.49820	0.3
71.80576	0.2
85.02955	4.8
87.00883	6.8
87.01423	0.3
93.03468	0.7
98.19905	0.5
101.02536	0.3
111.00891	13.7
119.05006	1.5
121.02964	100.0
122.03294	2.4
129.01958	0.5
147.04524	5.7
147.05640	0.4
163.03995	0.6
173.00833	0.4
173.29607	0.2
176.01176	1.0
177.15620	0.2
191.01955	1.3
191.03531	6.9
191.05608	2.2
191.07161	0.4
191.10861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36391	0.2
69.28097	0.4
69.28312	1.2
69.28724	1.2
71.91084	0.2
85.26471	0.3
89.03979	2.2
98.20660	0.6
99.58025	0.3
106.04269	0.8
117.03472	4.6
134.03752	100.0
135.04079	2.8
137.02454	1.6
139.04042	0.5
149.06099	3.3
171.34204	0.3
178.02736	5.0
193.05061	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	188.0718
Annotation	Methyl (indol-3-yl)acetate
Peak:m/z	Relative Intensity
50.65025	0.7
53.24883	0.6
58.00602	12.8
58.00875	0.9
59.01385	24.4
64.36781	0.6
70.51527	0.7
71.01410	2.5
71.60194	0.6
72.99328	1.6
111.23316	0.6
116.05070	45.6
117.05437	1.6
118.06638	6.3
122.20396	0.6
128.05075	36.4
129.05461	1.8
130.06635	43.1
131.06969	1.6
132.04582	0.8
142.06631	21.4
143.07004	1.2
144.04585	4.2
144.07303	1.5
146.06149	2.9
156.04565	2.0
157.05334	2.8
158.06122	100.0
159.06477	3.9
160.07715	1.2
170.06119	17.1
172.04056	9.7
181.78632	0.6
188.07169	39.4
189.07573	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	189.077
Annotation	Diethylene glycol diacetate
Peak:m/z	Relative Intensity
59.01383	100.0
60.01715	0.5
67.19691	0.3
71.59290	0.5
72.99324	0.7
83.05036	5.7
101.12271	0.4
111.04517	2.4
116.14182	0.4
124.22976	0.3
129.05589	16.0
130.05969	0.4
133.59641	0.3
147.06627	2.1
148.04379	0.4
152.69666	0.3
161.02467	0.4
189.05858	0.3
189.07675	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79977	0.2
57.03450	5.9
59.01374	0.5
65.64409	0.1
67.01893	2.9
67.20308	0.1
70.75105	0.3
72.99304	0.3
73.02953	0.5
83.01394	0.2
85.02956	28.2
86.03289	0.6
87.00880	46.5
88.01220	0.5
101.02443	0.4
103.04006	0.3
111.00888	100.0
112.01229	2.3
114.73246	0.2
117.01924	0.5
129.01956	5.2
130.99875	0.7
147.03008	0.5
154.99892	0.9
166.23773	0.1
167.48055	0.2
172.92456	0.2
173.00935	1.7
173.02246	0.3
183.16348	0.2
191.01993	8.6
192.02367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0978
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
53.05578	0.3
57.03453	4.0
59.01394	0.4
61.98815	0.8
64.68854	0.4
69.03478	0.9
69.33321	2.3
71.05059	0.3
73.87884	0.3
83.05030	0.5
95.05039	0.9
97.06595	12.4
109.02922	0.3
123.08168	7.2
123.97666	0.3
124.65723	0.3
125.09730	100.0
126.10084	2.3
130.04326	0.3
135.98570	0.3
141.86819	1.5
143.10782	1.7
149.45734	0.4
160.02274	2.3
168.88884	0.5
169.08696	3.0
172.05321	0.9
187.04063	3.0
187.07729	3.4
187.09752	44.0
188.10155	1.6
203.49724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96378	9.3
56.12371	9.4
59.01379	52.2
60.99314	67.3
65.14525	8.3
69.93489	34.1
72.99300	22.2
79.86234	8.6
83.05042	9.2
83.19627	9.1
87.92496	11.4
92.01878	9.8
116.05039	35.1
119.05038	16.8
129.61176	10.6
130.06642	14.5
144.04530	34.4
146.06102	30.2
148.67526	10.3
158.06114	30.4
161.03500	11.6
162.05592	16.4
188.03777	100.0
188.07109	23.5
188.10170	11.0
189.05450	17.6
189.11337	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	187.0613
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
53.39985	0.8
57.03451	5.1
59.01382	100.0
59.85405	0.9
60.01721	1.2
69.03455	2.2
71.01389	4.2
71.05027	8.0
71.59109	1.3
72.55231	0.9
72.99315	5.3
73.02927	1.2
73.04079	6.4
74.02463	1.5
81.03465	4.2
83.01402	1.8
83.05013	5.3
85.02940	1.1
85.06589	9.5
87.04510	8.6
90.97137	2.5
95.05022	1.4
97.06593	12.3
99.00895	10.9
99.08165	1.5
101.06075	1.0
110.80192	0.9
113.06112	2.0
115.04025	6.7
115.07655	8.5
125.06091	9.1
125.09717	11.2
127.00361	1.7
127.03121	1.7
127.04018	23.0
129.01988	1.0
130.08749	16.6
136.05927	0.8
141.05589	3.5
141.86830	1.6
143.07126	10.7
143.11894	11.0
159.04446	1.6
168.88943	3.3
169.05086	7.5
169.52853	1.0
186.89992	1.1
186.95569	1.1
187.02530	1.7
187.04034	2.9
187.06122	11.1
187.07745	2.1
187.09673	4.4
187.11105	10.4
187.13391	2.0
188.58899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0561
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
51.39125	0.1
62.38896	0.1
69.26319	1.5
92.80418	0.1
97.06588	0.3
116.05066	1.5
123.08092	0.3
125.09749	0.4
127.00392	0.5
128.05046	0.4
130.06633	1.3
140.05113	1.1
142.06627	100.0
143.06967	3.4
157.05328	0.5
158.06128	1.1
160.07549	0.2
168.04564	0.2
186.05626	2.9
187.06038	0.2
187.07693	0.6
187.09731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23678	0.6
54.97278	0.5
59.01383	84.7
61.98828	3.6
69.93043	2.9
71.01397	0.8
72.07967	0.6
74.99404	0.6
76.75296	0.6
90.97148	2.4
97.06630	1.2
98.19942	0.8
114.98929	1.0
115.02541	4.2
117.00449	8.2
125.09737	8.5
129.56389	0.7
132.98199	1.5
141.86862	2.7
142.89389	1.0
143.02007	1.9
144.04599	0.6
144.99939	1.8
159.01509	100.0
159.87924	1.5
160.01637	6.0
168.88916	1.4
186.95581	1.7
187.01021	10.1
187.04051	1.4
187.07993	0.8
187.09683	3.7
187.13364	2.0
188.00616	0.7
207.85938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	1.8
55.01888	4.5
57.03453	0.9
57.06110	0.4
59.01370	5.5
61.98833	1.1
65.00336	4.3
65.92664	0.4
67.01894	1.0
68.99825	1.7
70.73233	1.1
71.01390	9.5
71.05031	0.6
71.08809	0.4
72.99301	2.0
74.02481	2.2
79.99047	1.4
80.99827	4.4
83.01395	9.8
83.04998	0.5
83.08646	0.4
85.06623	0.6
92.83044	0.5
96.99338	2.0
97.06598	4.0
98.00111	0.8
98.20027	0.5
99.00891	100.0
99.08167	0.9
100.01224	1.7
100.98808	2.0
102.05619	0.6
103.91984	0.5
108.99329	1.2
111.00890	2.0
112.04055	0.7
112.98812	0.8
113.02443	0.7
113.04392	0.9
113.06100	1.1
117.03448	0.5
123.08116	0.6
124.98827	1.5
125.02463	0.6
125.06113	3.6
125.09736	7.7
125.99586	1.6
127.00389	17.2
127.04019	0.7
127.97530	0.8
129.01958	1.1
136.98833	8.4
141.01947	2.7
141.05611	0.8
141.86848	1.5
143.07147	2.8
143.11879	0.6
154.99896	3.2
159.04543	1.5
159.87839	0.6
160.03963	0.6
168.88928	1.9
169.01443	7.5
173.00934	2.9
186.89984	1.1
187.02486	8.7
187.04033	1.7
187.06097	1.8
187.07884	1.8
187.09616	4.1
187.11082	0.4
187.13385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1184
Annotation	[1S-(2-endo,3-exo)]-1-(hydroxymethyl)-7,7-dimethyl-bicyclo[2.2.1]heptane-2,3-diol
Peak:m/z	Relative Intensity
52.36706	0.4
57.03436	0.6
59.01371	3.4
59.31559	0.5
69.03442	0.6
69.73679	3.0
71.01385	0.7
71.05019	0.5
83.05038	1.2
85.02930	0.7
88.14516	0.5
97.02942	0.5
97.06583	0.6
101.15929	0.5
113.02465	0.5
122.07037	0.5
123.08160	0.8
137.09749	0.9
139.11292	1.6
141.09216	2.8
149.09735	2.2
150.55772	0.5
155.10786	35.9
156.11081	0.9
167.10774	31.3
168.11180	1.4
183.10341	0.7
185.01901	0.6
185.11836	100.0
186.12228	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	185.1183
Annotation	Epomediol
Peak:m/z	Relative Intensity
57.03449	1.2
58.80904	0.8
59.01381	36.8
69.03453	3.4
70.00863	4.1
71.01392	6.0
71.05029	6.1
81.03455	1.0
83.05026	1.4
85.02952	1.9
85.06609	1.5
87.04535	0.8
95.05024	0.9
97.02960	2.6
97.06618	1.8
98.19968	1.0
99.00874	1.1
99.04510	0.7
101.01102	0.7
109.02929	1.0
111.08174	2.8
113.02442	1.9
115.04016	100.0
116.04348	1.9
123.04568	0.9
123.08164	1.6
125.02436	3.2
127.04047	1.0
139.11305	3.1
141.05641	1.2
141.09206	3.9
141.12904	1.9
142.06573	1.2
167.10770	16.1
181.03841	0.8
183.10262	3.4
185.00835	0.8
185.04640	1.7
185.06158	1.9
185.08284	3.2
185.11835	99.1
185.15427	3.2
186.12157	2.5
189.76524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.03457	0.4
59.01381	0.5
67.01890	0.4
70.35359	1.0
73.51968	0.3
83.05028	0.5
85.06579	0.3
95.01375	0.4
97.02931	0.3
99.19228	0.3
111.00858	0.5
111.04583	0.3
121.06700	0.3
137.02473	0.4
139.11296	0.9
140.07121	0.3
152.98291	0.5
156.01498	0.3
165.01877	0.3
165.12936	0.3
168.00687	0.7
183.00610	0.3
183.03000	0.6
183.13907	100.0
184.14301	3.6
203.46869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62993	0.4
53.80130	0.4
59.01369	1.6
69.03442	0.8
69.63328	0.4
71.01394	0.4
71.05025	0.8
87.00881	100.0
88.01207	0.7
89.42195	0.4
97.06596	3.3
99.86579	0.4
102.68188	0.5
113.02444	0.9
123.08158	1.3
125.02443	0.5
141.09224	2.6
145.30005	0.4
167.07152	1.7
168.72057	0.4
185.02725	1.0
185.04619	0.5
185.06474	0.5
185.08250	2.1
185.11877	2.3
185.15462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.6
59.01384	37.2
61.98832	22.7
65.00311	17.8
67.01904	3.3
68.99829	3.0
69.03450	4.9
71.01393	33.6
73.02950	74.2
80.00615	2.7
81.03465	7.3
83.01415	7.8
83.05031	12.9
85.02973	8.4
87.00882	5.4
89.02441	19.4
93.03463	57.7
94.02966	7.2
95.01376	8.8
95.03352	4.0
95.05042	8.7
96.04575	3.5
96.96033	8.7
97.02969	5.9
98.20706	5.6
101.02441	15.2
107.05038	4.6
108.02183	4.9
108.04545	4.7
109.02955	26.6
109.06586	7.2
110.02490	4.5
110.16094	3.0
111.00880	3.1
111.04552	7.6
119.03548	5.1
119.05022	5.6
121.02944	7.8
123.00882	12.3
123.04556	5.4
125.57876	2.8
135.04550	5.5
135.08185	3.4
136.98840	5.3
137.02484	18.8
137.06076	14.8
137.09726	7.2
138.03275	4.3
139.04051	9.5
151.00381	59.5
151.04002	4.0
152.38545	2.9
153.01900	3.3
163.04016	6.1
163.11288	8.4
166.01247	4.9
166.02716	90.0
169.59653	2.9
180.84175	8.2
180.85942	9.0
181.01488	15.5
181.05057	38.2
181.07137	22.9
181.08730	33.8
181.12341	100.0
182.12648	3.9
193.86514	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	182.046
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
53.87478	0.2
56.43856	0.2
59.01383	0.4
61.94717	0.2
61.98835	2.3
63.13645	0.3
63.92748	0.2
65.74866	0.2
69.03465	0.3
70.43122	0.8
71.01382	0.2
71.91895	0.3
78.95924	0.2
82.03024	0.5
82.06646	0.3
83.01383	0.2
83.05040	0.6
92.05069	4.5
93.03457	0.3
94.02993	1.1
95.01404	0.3
96.04565	0.8
96.96013	0.3
97.02949	0.4
105.38473	0.2
108.04564	52.9
109.02930	0.3
109.04892	0.8
110.02489	0.5
110.06110	1.0
111.04541	0.3
120.04575	5.2
121.06573	0.3
122.02537	1.5
123.00862	0.4
123.03272	1.1
136.04016	0.9
136.04921	0.5
138.05620	100.0
139.05975	3.7
152.00780	0.4
152.03517	1.2
167.03033	0.4
168.00627	0.5
182.04584	23.1
183.04935	0.7
183.10193	0.4
195.52278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1027
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
52.03790	0.7
57.03436	1.6
67.13556	0.6
69.03456	3.0
69.25928	1.0
69.26337	5.8
83.05025	3.8
85.06591	7.9
95.05036	1.7
97.06598	8.0
98.06969	0.7
100.59982	0.6
123.08154	4.5
131.59839	0.6
137.09732	1.5
139.11299	100.0
140.11620	3.5
183.10292	3.9
184.68901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1028
Annotation	trans-1,2,trans-1,5-2-(1-Formylethyl)-5-methyl-cyclopentanecarboxylic acidNepetalic acid
Peak:m/z	Relative Intensity
57.03457	1.8
58.02609	0.3
59.01378	0.7
61.64730	0.3
67.01904	0.4
69.03460	4.1
70.33896	1.0
79.05540	1.4
80.02690	0.8
83.05026	4.2
85.06596	8.2
87.97199	0.4
95.01385	0.3
95.05028	1.9
97.06595	8.6
97.07195	0.6
98.06919	0.3
109.03031	0.3
109.06641	0.4
111.04506	0.4
111.08176	1.5
112.04013	0.3
123.08160	4.0
137.02478	0.5
137.09732	1.7
139.11301	100.0
140.11621	2.9
152.98277	0.5
155.10751	0.9
164.46286	0.3
165.01933	0.5
165.09221	0.9
168.00798	0.3
183.03023	0.7
183.04442	0.6
183.06725	0.4
183.10265	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	181.1234
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
57.03425	1.8
59.01385	9.9
62.60997	1.8
65.00326	3.4
71.01384	5.3
73.02952	77.3
76.81953	1.8
83.01389	1.7
83.05029	4.0
89.02466	2.8
93.03455	16.8
95.05013	3.2
101.02448	3.1
108.08096	2.0
109.02973	5.0
109.06647	2.7
113.06084	2.3
121.02955	1.9
123.00858	3.1
135.08165	2.3
137.02448	4.0
137.09695	3.1
151.00356	11.8
153.05620	1.8
163.11275	12.7
164.96274	1.7
166.02710	23.0
175.87723	1.8
180.73819	1.7
181.01456	2.4
181.04994	9.6
181.07263	3.5
181.08730	9.3
181.12344	100.0
182.12686	2.4
183.00450	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	181.0871
Annotation	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
Peak:m/z	Relative Intensity
55.01873	1.1
57.03444	3.5
57.17992	0.9
57.97554	3.2
59.01385	10.4
61.98836	26.3
62.31084	0.9
65.00320	5.8
65.03961	2.1
66.78032	0.9
68.99813	1.5
69.03458	4.3
71.01386	66.0
72.99323	2.1
73.02952	6.3
76.36188	1.0
80.02670	2.9
81.03472	4.6
83.01392	8.8
83.05035	10.7
85.02956	2.7
87.00861	1.4
89.02436	5.2
92.99765	1.2
93.03465	20.6
94.03008	1.7
95.01390	2.6
95.03355	1.1
95.05042	10.3
96.96007	9.9
97.02968	2.0
97.06588	16.2
99.92587	1.2
101.02461	5.4
102.68729	1.1
107.05045	17.9
108.02183	2.3
109.02946	6.9
109.06599	8.8
111.00886	1.9
111.04517	3.0
111.08200	2.1
112.01682	2.4
113.02443	1.9
116.93437	1.9
117.07117	7.1
119.05030	1.9
119.08676	17.2
120.08903	1.2
121.02971	1.9
121.06592	4.3
122.03789	1.2
123.00871	3.5
123.04549	1.9
123.08170	80.2
124.08540	1.6
125.06071	3.4
125.09727	3.3
133.06613	5.4
135.04579	4.5
135.08179	18.0
136.98825	1.6
137.02455	6.2
137.06099	3.2
137.09729	40.8
139.03967	2.3
139.07649	1.7
143.86391	1.0
144.00668	2.3
145.06584	13.2
151.00385	8.2
151.07645	6.7
153.02023	1.9
153.09213	20.8
153.12868	3.9
154.09584	1.2
163.03995	2.6
163.07658	58.5
164.07973	2.3
166.02722	18.1
180.81250	1.4
180.84134	5.0
180.85867	3.8
180.87981	0.9
181.01451	5.9
181.05174	10.0
181.07230	6.9
181.08701	100.0
181.12178	7.1
182.04558	1.1
182.09056	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	180.0667
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
53.55364	1.0
54.39603	0.9
59.42173	0.9
64.05069	1.0
71.59065	1.7
72.00912	40.9
74.02479	3.6
93.03467	29.9
106.04252	4.3
107.05044	3.2
113.69890	1.0
119.05035	83.4
120.05376	1.2
122.77197	0.9
134.06149	3.4
135.04492	2.2
136.04895	8.0
136.07573	1.5
162.05623	1.0
163.04018	98.3
164.04362	4.9
180.06668	100.0
181.06955	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	181.0872
Annotation	1-Hydroxy-4-oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
53.06571	0.6
55.01875	1.6
57.03444	2.2
59.01383	37.2
61.98809	0.9
63.28899	0.6
65.00324	2.3
67.01882	1.1
69.03464	1.1
69.58353	2.5
69.58781	1.7
71.01386	2.9
71.47575	0.5
72.99304	0.8
73.02940	1.3
73.96621	0.6
80.02680	2.6
81.03452	4.3
83.01392	15.5
83.05032	40.5
87.58545	0.6
89.02445	2.3
93.03464	5.6
94.02989	0.6
95.01424	0.8
95.05040	4.7
95.52103	0.6
96.96010	0.7
97.06596	13.8
101.02431	2.0
107.05024	1.7
108.02165	0.8
109.02932	2.7
109.06599	8.9
119.08685	1.2
121.06586	1.8
123.00884	2.1
133.06575	0.8
135.04546	0.9
135.08174	33.6
136.08522	1.1
137.02458	2.2
137.06088	1.2
137.09729	23.4
138.10114	1.1
139.04010	1.0
147.01123	0.6
151.00369	6.2
153.01936	0.8
154.84621	0.6
163.07640	3.1
166.02699	9.4
181.01479	1.4
181.05305	4.8
181.08710	100.0
182.04579	1.0
182.09019	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	179.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57506	2.7
59.01376	14.9
59.37093	2.9
69.03443	3.5
70.56799	7.7
71.01387	12.1
73.02929	11.4
75.57224	3.0
83.04385	3.1
85.02954	12.9
87.00885	52.3
89.02438	3.5
95.19405	3.2
97.02974	4.9
99.00880	13.9
107.01379	6.5
107.04982	3.8
117.01911	5.8
125.02466	6.7
134.03754	7.0
135.04532	100.0
135.11792	4.8
151.00352	5.1
161.04568	31.3
164.01222	5.3
178.99832	5.2
179.03491	14.5
179.05624	39.7
179.10777	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03438	2.0
57.97567	0.9
58.00580	1.1
59.01384	13.5
63.02393	4.1
65.00330	1.7
66.03484	1.0
67.01894	1.6
68.99838	1.0
69.03448	4.6
71.01390	22.5
73.02946	10.0
75.00897	1.7
79.01881	1.5
81.03465	1.7
81.64389	1.0
83.01388	6.5
85.02961	13.6
87.00881	68.3
89.02430	4.4
91.01936	1.0
93.03460	2.1
94.03010	1.4
94.06661	1.6
95.01392	3.4
97.02969	6.2
99.00893	15.8
101.02448	7.9
107.01411	6.5
107.05032	3.1
108.02211	2.1
109.02923	4.7
111.00875	1.3
113.02453	3.1
115.47862	1.0
117.01946	11.3
117.03542	1.0
121.02965	3.4
123.00858	1.7
123.04501	1.9
125.02473	9.0
129.01971	2.0
134.03827	8.1
135.00925	2.1
135.04549	100.0
135.11754	1.0
136.04883	3.3
137.02451	1.7
138.02765	1.5
141.01927	6.4
146.05072	1.2
150.03096	1.1
151.00423	6.1
151.03955	2.7
151.07625	2.2
159.02974	3.6
161.04567	35.6
163.04025	1.1
164.01199	7.3
164.04791	2.0
169.01407	1.8
177.04045	1.8
178.81522	1.7
178.84454	1.5
178.85896	2.0
178.99873	11.2
179.02061	1.6
179.03494	21.6
179.05598	45.5
179.07092	4.5
179.10791	5.7
179.85918	1.2
180.05836	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.7
59.49670	4.6
69.46675	35.3
70.54449	4.3
71.01385	18.4
73.02947	15.4
77.98827	4.3
78.20454	4.6
81.07080	4.9
83.01381	4.7
85.02966	11.0
85.19691	4.6
85.32961	5.2
87.00890	61.1
89.02441	6.1
90.81378	3.9
95.01403	4.3
97.02969	5.3
99.00887	18.0
101.02446	7.9
107.01411	4.2
107.05103	4.4
111.04514	10.7
117.01965	12.4
125.02442	9.6
128.29617	4.5
134.03729	12.4
135.04535	100.0
135.11795	13.8
136.75740	4.2
151.00395	4.3
161.04561	32.9
164.01164	6.8
171.35271	5.5
178.99915	8.8
179.03520	25.4
179.05643	41.3
179.07059	9.4
179.10757	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72150	0.2
53.69301	0.2
63.70498	0.2
70.10139	0.5
73.77953	0.2
76.77694	0.2
89.03979	0.4
91.05525	0.7
93.03403	0.2
98.19940	0.2
107.05043	1.7
108.02181	0.4
117.03484	1.0
134.03760	6.0
135.04532	100.0
136.04852	3.3
179.03506	14.0
180.03825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
59.01373	0.7
70.55551	0.7
70.55933	0.3
71.01395	0.5
75.00893	0.5
87.00887	0.5
89.02425	0.3
89.03986	0.5
91.05540	0.6
93.03478	0.3
101.02431	0.2
106.04290	0.4
107.05047	1.9
108.02153	0.2
109.02958	0.2
117.03468	0.8
134.03752	6.9
135.04532	100.0
136.04857	3.2
179.03506	13.7
180.03885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.89425	0.2
71.49300	0.4
81.69784	0.2
89.03965	0.5
91.05549	0.5
102.25751	0.2
106.04281	0.4
107.05040	2.0
110.95172	0.3
117.03483	0.8
134.03754	7.5
135.04536	100.0
136.04857	3.4
179.03508	16.8
180.03798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1079
Annotation	Dihydroactinidiolide
Peak:m/z	Relative Intensity
57.51016	2.2
59.01368	5.7
63.02385	3.4
63.24723	2.5
70.83772	5.9
70.84171	5.2
71.01384	7.6
73.02946	8.6
74.14875	2.6
74.75554	2.6
83.01408	3.5
85.02948	4.2
85.79578	2.7
87.00881	25.7
95.89822	2.6
99.00908	6.2
101.02493	3.1
107.01384	3.7
110.25732	2.4
111.04575	2.8
117.01937	7.1
125.02567	4.6
134.00778	2.3
134.03723	6.4
135.04533	100.0
135.11801	11.0
136.04820	4.1
138.18065	2.8
161.04561	15.8
179.03519	14.3
179.05679	13.1
179.10765	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15332	0.1
58.34431	0.2
61.98835	0.3
67.57026	0.2
68.62490	0.1
69.30721	0.6
69.31145	0.8
79.95721	0.2
87.00884	0.3
95.95198	0.3
107.71645	0.2
119.93747	0.8
134.96098	23.3
135.96175	1.3
136.94016	100.0
137.94086	5.7
138.94469	0.3
141.27498	0.2
151.92725	14.1
152.92787	0.6
154.95026	0.4
161.04555	0.2
178.95067	52.3
179.05678	0.2
179.95152	3.0
196.96049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18114	0.6
64.70302	0.8
70.73336	2.2
93.03461	2.0
96.05381	1.6
100.34593	0.7
105.03476	2.0
106.03709	2.7
106.04369	6.3
109.02985	1.2
111.00880	2.3
121.02965	6.2
122.31584	0.7
133.01918	1.3
133.02966	68.3
134.03777	100.0
135.04616	6.2
137.02457	35.5
138.02795	1.7
139.04022	12.6
149.02443	1.9
150.03236	3.6
178.02736	14.0
179.03473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0271
Annotation	p-hydroxyphenylpyruvate
Peak:m/z	Relative Intensity
55.01883	1.0
59.01372	4.4
61.98825	1.4
63.02417	1.4
65.00310	0.8
66.24532	0.7
69.03433	1.1
69.86371	4.4
70.88431	0.9
71.01392	7.2
72.99303	1.3
73.02940	1.5
74.61432	0.7
79.63414	0.8
83.01384	1.9
85.02943	2.4
87.00877	17.5
87.01366	1.5
89.02425	1.2
92.05092	0.8
93.03456	2.0
95.01383	1.1
97.02962	2.0
99.00880	3.7
99.92579	1.4
101.02457	1.6
102.48610	0.8
105.03468	1.9
106.04301	9.5
107.01395	1.5
108.04575	1.2
109.02922	2.3
111.00876	2.1
113.02486	1.0
117.01952	2.7
117.83463	0.7
121.02936	6.5
122.62852	0.9
123.00838	1.0
124.01535	1.0
125.02464	2.9
133.02966	65.6
134.03766	100.0
135.04544	48.4
137.02452	33.8
139.04018	11.7
141.01949	1.1
141.93634	1.2
149.02458	1.6
150.03256	4.7
151.00366	1.9
161.04561	8.6
163.03600	1.5
164.01152	2.3
165.01875	1.6
178.02730	15.4
178.05144	3.3
178.08733	1.0
178.85841	1.0
178.99849	2.8
179.03485	8.4
179.05623	10.7
179.07079	1.4
179.10670	0.9
197.13541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.1
57.97544	6.8
59.01378	14.2
65.17927	4.2
71.01374	13.5
75.00891	7.7
78.91910	4.5
90.37058	4.6
93.03480	7.8
98.20573	11.0
102.87391	4.5
105.03439	16.2
121.02945	6.9
128.01709	11.9
129.01985	8.5
133.02962	37.4
137.68124	4.4
147.04477	4.3
148.04102	7.2
149.02406	7.7
162.03203	19.0
176.02071	100.0
176.03534	21.4
176.06979	6.8
176.81738	6.6
176.85823	7.0
177.01900	54.8
177.05547	10.4
177.09210	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	177.0194
Annotation	5,7-Dihydroxycoumarin
Peak:m/z	Relative Intensity
51.02391	0.4
59.48882	0.3
60.48039	0.4
65.00311	0.4
71.18999	0.9
77.03973	9.3
89.03979	3.0
93.03441	1.8
95.05034	13.1
96.05346	0.4
105.03466	46.3
106.03807	1.6
121.02964	1.5
123.04540	3.5
132.02216	1.9
133.02965	100.0
134.03227	3.2
137.02432	0.5
149.02499	0.9
162.03242	1.4
177.01936	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	178.0272
Annotation	p-hydroxyphenylpyruvate
Peak:m/z	Relative Intensity
54.61744	0.8
59.01381	5.5
61.98819	0.9
63.02394	1.1
65.00356	0.9
69.03477	1.9
69.14104	0.8
71.01392	7.1
73.02947	3.1
83.01398	1.7
83.67174	0.7
85.02946	5.1
87.00882	23.2
89.02464	1.7
89.03965	0.7
92.05105	1.1
93.03468	2.6
95.01367	1.5
95.05001	0.7
97.02972	2.3
97.91284	0.7
99.00906	5.6
100.44265	0.9
101.02463	2.5
105.03501	1.1
106.04332	7.4
107.01393	2.3
107.05026	2.6
108.02197	1.2
108.04597	1.0
109.02968	2.8
111.00890	3.1
117.01975	3.8
118.03812	3.3
121.02952	7.1
122.03315	2.4
122.06119	1.0
125.02434	3.2
133.02971	66.5
134.03777	100.0
135.04553	55.1
135.08148	0.9
137.02458	36.5
137.29117	0.8
137.94984	0.8
137.96173	0.9
139.04015	11.3
141.01999	1.6
141.93684	1.3
146.03282	5.2
149.02464	2.1
150.02167	1.0
150.03259	3.0
151.00395	1.7
156.75444	0.9
161.04564	11.7
163.03606	1.0
164.01151	1.8
165.02000	1.0
177.04182	1.0
178.01401	1.1
178.02722	14.2
178.06026	9.2
178.81517	1.9
178.84416	0.9
178.85985	0.9
178.99835	2.4
179.03522	8.7
179.05627	13.0
179.07147	1.1
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
57.03448	0.9
57.25702	0.6
58.00588	1.5
59.01383	27.9
61.98813	0.9
62.08770	0.7
67.01910	0.9
68.99801	0.8
69.03460	0.7
69.51978	2.3
69.52403	1.6
71.01390	40.2
72.01737	0.6
72.99321	4.9
73.02946	2.9
75.00849	0.8
83.01392	1.9
83.69711	0.6
85.02975	3.7
85.06591	0.6
86.29527	0.6
87.00882	88.8
88.01230	1.7
93.03461	0.7
99.00892	1.0
100.98848	0.6
101.02478	1.2
112.98814	2.5
113.06080	1.0
115.00381	100.0
115.04028	1.8
116.00739	1.8
124.98817	1.0
127.00410	1.4
131.05006	0.9
147.04494	1.3
174.88997	9.3
175.02521	25.2
175.04025	3.7
175.06137	2.4
175.07721	1.8
176.07042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0249
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
59.01384	99.4
68.99789	14.5
70.42856	25.2
71.01385	76.2
72.99307	9.0
75.00888	7.4
82.66722	6.4
86.00063	11.8
87.00885	65.3
87.88547	8.0
100.98820	100.0
101.02444	14.8
115.00370	95.0
115.03971	9.7
124.98785	20.5
127.97522	93.9
142.99841	15.8
148.98598	14.8
175.02477	20.7
179.22011	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	175.0249
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03448	0.9
57.97564	4.2
58.00589	1.9
59.01384	28.5
65.70935	0.6
69.26245	2.4
69.26666	3.7
71.01389	37.5
72.99310	3.7
73.02950	2.5
75.00866	0.7
76.81985	0.7
83.01379	1.3
85.02965	2.9
87.00881	94.5
88.01243	0.8
98.19849	1.4
99.00879	1.0
101.02409	0.7
112.98817	2.0
113.02429	1.0
115.00380	100.0
116.00695	1.9
127.00356	2.2
145.45673	0.6
160.88086	0.6
175.02481	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	175.0249
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03450	1.8
58.00600	0.7
59.01379	25.9
64.15685	0.4
67.01888	0.9
68.99229	0.5
69.61787	3.6
71.01389	39.2
72.99317	4.4
73.02955	3.5
77.72305	0.5
83.01398	1.2
85.02966	2.6
87.00881	93.0
88.01196	0.8
92.27505	0.6
99.00880	0.5
101.02441	0.8
107.20348	0.5
112.98814	3.0
115.00380	100.0
116.00737	1.8
121.99681	0.5
127.00377	1.7
138.13556	0.5
158.52682	0.6
174.88992	1.0
175.02490	22.2
175.03793	0.9
175.07607	1.0
184.28387	0.6
190.37273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0249
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03452	0.6
58.00609	1.2
59.01384	27.0
67.01894	1.4
69.71395	3.5
69.71806	1.2
71.01388	36.7
72.99310	3.9
73.02950	3.1
83.01408	1.3
85.02956	2.3
87.00880	96.8
88.01198	1.7
92.05061	0.8
95.91861	0.7
112.98814	3.3
113.02442	0.9
115.00381	100.0
116.00718	2.2
123.05672	0.6
127.00405	0.7
140.06061	0.6
174.89009	1.2
175.02499	23.4
175.04968	4.1
176.02933	0.7
177.53217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0562
Annotation	NH2Mec
Peak:m/z	Relative Intensity
50.62162	0.3
55.65907	0.3
57.03450	0.5
57.97545	0.3
58.52383	0.3
59.01376	2.1
61.98834	1.6
65.99854	2.7
67.01898	0.3
70.75737	0.6
71.01391	1.9
83.01391	0.3
85.02951	0.4
86.02505	0.5
87.00890	3.1
88.98851	0.4
90.03470	0.4
90.09911	0.3
93.03481	0.5
94.03027	0.3
94.03804	1.2
99.92619	0.5
102.03516	0.7
112.08510	0.3
114.01994	1.2
114.03519	0.4
115.00388	2.8
115.04245	0.6
118.02989	1.2
129.02187	0.5
130.06609	1.0
131.03772	2.2
142.02998	20.3
143.03351	0.7
144.04562	4.3
146.02496	1.3
146.06180	0.7
151.70544	0.3
159.03276	13.2
174.05620	100.0
174.86041	0.3
174.88980	2.6
175.02571	0.7
175.04355	0.4
175.05994	4.1
175.07512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59564	4.4
59.01389	49.6
66.03491	5.3
70.02966	9.2
70.13286	17.2
71.01395	39.0
72.00379	13.4
72.00913	23.2
72.01729	5.1
74.02480	45.9
80.05045	6.1
82.06626	100.0
85.02969	5.2
85.06580	8.8
86.02482	14.6
87.00875	43.0
87.20122	5.4
94.03775	9.1
98.19901	5.3
101.02456	8.9
110.00648	4.4
112.01218	7.0
113.06042	9.4
114.01979	90.7
115.00396	43.6
115.04014	27.4
126.05585	18.0
130.06633	31.0
130.08681	7.0
131.00079	4.9
131.03790	7.4
131.08237	27.3
144.00212	5.6
144.04485	7.2
159.03198	6.2
162.01508	5.3
174.04137	11.0
174.05798	73.2
174.07411	9.3
174.89012	27.3
175.02487	10.2
175.06084	18.1
175.07516	6.7
187.25006	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	174.017
Annotation	4-Deoxy-L-threo-5-hexosulose uronate
Peak:m/z	Relative Intensity
51.99380	7.0
54.68251	7.2
55.44859	7.7
59.01391	39.7
69.74469	8.3
69.74812	50.8
71.01386	55.1
72.99296	10.4
73.02959	9.4
85.02972	8.6
86.02485	9.5
87.00890	99.0
94.03802	12.1
98.20536	13.1
112.01189	7.9
114.01979	28.6
115.00379	100.0
131.03780	7.4
132.02158	12.1
146.02419	8.3
146.06105	13.0
160.01628	21.8
174.01778	52.0
174.05571	26.6
174.88979	29.2
175.02452	23.8
175.03906	10.6
185.78592	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	174.0171
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
57.03456	3.1
57.97564	1.7
59.01383	27.4
59.50097	1.6
70.16069	1.5
71.01389	44.1
71.51579	2.2
71.51910	2.0
72.01725	2.2
72.99322	6.2
73.02949	3.7
75.00221	6.5
75.00898	1.9
83.01393	4.2
85.02966	3.4
87.00883	92.3
93.03448	1.7
94.03802	3.6
104.66422	1.5
107.79173	1.8
110.00684	3.2
112.98815	2.0
114.01980	9.7
115.00381	100.0
125.99136	2.2
127.00383	2.4
130.06609	3.2
131.03741	2.8
131.08243	1.9
131.55386	1.6
142.99850	2.6
144.00203	8.6
146.06154	3.3
158.98184	2.3
159.04527	1.8
160.01688	2.1
174.01718	14.5
174.05618	5.2
174.89035	8.1
175.02547	17.0
175.03973	3.1
175.07637	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63668	0.4
52.59417	0.4
52.96431	0.4
53.00315	1.4
55.01883	7.7
55.78515	0.4
57.03445	2.8
59.01379	2.2
61.98840	3.4
65.53512	0.5
67.01890	1.4
68.99821	2.9
69.57192	2.0
69.57600	1.0
70.89608	0.5
71.01388	100.0
72.01734	1.0
72.99319	2.8
73.02953	4.8
80.99843	1.5
83.01397	7.8
83.05019	1.0
85.02955	18.6
87.00887	1.3
93.03458	3.5
96.99319	4.2
99.00888	38.3
100.01242	0.9
101.02460	0.5
111.00888	6.2
111.04548	1.5
112.98825	7.2
115.00387	2.0
124.98817	32.6
129.01936	4.2
131.08304	3.3
135.50998	0.4
137.02458	1.2
140.98297	0.7
142.99872	52.3
144.00226	1.0
154.99875	1.2
173.00912	15.0
194.81944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
53.00298	2.3
55.01886	9.8
57.03456	1.8
59.01379	2.7
59.06978	0.8
63.67432	0.8
66.51235	0.7
66.73081	0.7
67.01913	1.2
68.99822	2.2
69.91013	1.6
69.91430	3.1
71.01385	100.0
72.01727	1.4
72.99313	3.3
73.02953	4.6
79.65046	0.8
80.99820	2.1
83.01399	5.9
85.02953	5.9
87.00872	2.3
88.67611	0.8
93.03463	2.1
96.99336	3.9
99.00884	37.3
101.11665	0.8
111.00889	11.2
112.98808	8.1
114.02005	1.2
115.00378	3.5
124.54839	0.8
124.98812	31.8
129.01941	2.5
131.08286	2.5
133.01018	0.8
139.71986	0.8
142.99869	52.2
144.00256	1.3
173.00914	15.0
184.92201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0981
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
51.92179	0.3
55.95190	0.3
58.02982	2.2
67.01885	0.5
70.02978	0.3
71.01375	0.6
71.11813	0.7
85.02955	0.6
93.03460	1.4
111.00895	2.0
111.08183	0.5
118.97575	0.3
128.10823	7.1
130.08746	100.0
131.09119	2.3
139.21979	0.3
144.04579	0.4
172.09802	17.1
173.06018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
53.00304	1.5
55.01881	7.3
57.03455	3.3
59.01381	2.5
59.86729	0.6
67.01886	2.3
68.99819	2.4
69.61239	2.4
69.61649	1.9
70.29401	0.6
71.01385	100.0
72.01711	1.8
72.99320	1.4
73.02949	3.8
74.64236	0.5
78.15649	0.7
80.99831	1.4
82.12526	0.6
83.01393	7.7
84.44936	0.6
85.02961	5.8
87.00905	1.6
93.03456	1.6
96.99337	5.1
99.00885	35.2
100.01235	0.7
100.18236	0.6
107.08523	0.7
111.00887	10.8
111.04562	0.7
112.98824	7.9
115.00378	2.3
115.43700	0.6
123.00578	0.6
124.98812	28.5
129.01978	2.0
131.08260	1.9
137.65225	0.6
137.77480	0.6
142.99872	51.3
144.00253	1.3
154.99921	1.2
173.00923	15.5
173.02374	1.1
176.36037	0.7
182.76172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	100.0
59.03306	0.8
61.98841	0.6
67.72317	0.3
68.99834	0.4
69.03441	0.5
69.90052	1.7
70.02987	0.4
97.02982	0.6
122.77423	0.4
122.89449	2.8
125.02473	3.7
125.09711	0.5
144.80211	0.4
151.11237	0.4
168.06636	0.6
168.13918	9.0
168.15163	0.5
169.01477	1.2
169.14322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48898	1.2
57.03436	2.1
59.01364	1.5
61.98829	6.0
63.33464	1.3
65.00324	1.4
68.67075	1.1
68.99811	3.5
69.03460	7.9
70.62653	2.7
70.62994	1.7
71.01392	2.1
81.03468	4.7
83.01402	3.1
83.05051	1.4
85.02992	1.7
87.00870	4.3
93.03437	1.2
95.01385	2.1
96.78245	1.1
96.99297	1.9
97.02934	8.0
97.06574	1.6
97.93122	2.4
98.02493	2.3
99.00853	1.8
99.04526	1.4
107.01366	1.7
109.02917	2.1
113.02417	1.7
122.89428	35.2
123.71285	1.3
124.01680	1.7
125.02451	100.0
125.06084	5.0
125.09701	4.5
126.02798	2.5
126.05534	1.4
127.04035	1.3
128.03465	1.3
132.86836	1.5
134.48691	1.2
134.86496	1.9
143.94547	1.5
146.06107	1.6
151.00374	2.4
153.99091	3.1
168.83600	1.9
168.99173	1.6
169.01440	31.3
169.03787	6.5
169.05292	2.6
169.07706	45.6
169.09044	2.7
169.12370	2.7
170.04646	1.7
170.08127	2.5
170.15509	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	169.0872
Annotation	Boonein
Peak:m/z	Relative Intensity
57.03442	4.4
59.01374	7.8
61.98842	12.5
63.91893	1.8
64.19691	1.9
64.27827	1.9
65.00320	1.8
68.99812	3.5
69.03460	17.7
69.71069	11.7
71.01376	5.8
71.05016	3.2
81.03465	6.0
83.01396	4.8
83.05018	2.8
85.02950	3.6
85.56294	1.8
87.00851	2.5
88.04038	1.6
88.09467	2.5
88.16962	1.8
95.05042	10.0
96.99313	3.8
97.02956	9.9
97.06591	5.6
97.93135	5.5
98.00134	1.9
98.02473	1.9
107.01396	2.1
107.05058	2.0
111.04532	1.6
121.27399	1.6
122.89428	64.0
123.04503	3.0
123.08178	11.4
125.02452	96.4
125.06098	8.8
125.09729	70.0
126.02800	3.6
126.10072	3.6
126.89152	1.9
128.07181	5.2
130.24443	2.0
132.68613	1.7
132.86794	2.7
134.86496	4.3
140.03554	2.7
141.09253	17.4
151.00403	3.8
151.03935	2.8
151.07646	16.4
153.99130	2.5
168.83647	3.7
168.99049	3.6
169.01436	35.3
169.03836	3.3
169.05038	4.8
169.08704	100.0
169.12357	4.9
170.04726	3.5
170.09093	3.6
176.22299	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	167.0715
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
50.03348	1.7
53.57752	1.6
55.01889	2.1
56.06792	1.7
57.03449	4.1
59.01379	3.5
67.01892	3.6
68.99842	2.0
69.03460	25.6
69.89895	10.6
71.01385	4.5
71.05000	1.9
79.05537	7.3
80.02686	5.9
81.03470	3.5
83.05025	15.9
84.02159	5.1
85.02967	9.0
91.05540	9.7
93.03468	32.7
95.01406	9.0
95.05029	16.3
97.02967	9.6
97.06598	16.9
98.03739	13.0
98.20536	2.5
105.07116	5.2
106.04253	3.5
107.05034	100.0
108.02187	21.6
108.05295	2.9
109.02958	5.2
109.06596	17.9
110.03735	7.6
111.00898	4.2
111.04532	2.7
111.08163	53.2
112.01685	2.3
121.02973	4.4
121.06597	22.2
123.00890	6.9
123.03619	2.9
123.04534	44.1
123.08169	10.1
124.01662	21.5
124.05294	4.0
125.02451	8.4
125.06103	3.7
134.03746	4.2
135.04523	30.6
137.02443	18.3
137.06091	5.2
138.03242	7.2
138.06686	1.8
139.04027	6.1
139.07661	96.4
140.07968	3.2
146.26433	2.0
149.02483	3.0
149.06090	46.0
151.00490	2.2
152.01169	33.7
152.04776	13.3
153.05591	3.3
153.26390	1.9
167.03508	34.8
167.06067	2.7
167.07158	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0715
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
57.03444	4.5
57.62076	1.7
59.01369	2.4
64.49689	1.8
67.01890	4.0
67.05560	2.6
68.99811	4.1
69.03467	12.6
69.25295	1.8
71.01389	6.3
71.05026	2.2
71.54826	2.6
76.49671	1.8
79.05521	3.7
80.02692	5.8
81.03478	5.1
83.01414	2.2
83.05051	6.8
84.02177	6.7
85.02966	10.3
85.44886	1.8
91.01929	1.9
93.03479	8.5
93.07124	3.0
94.32910	2.1
95.01398	9.2
95.05027	15.6
97.02969	13.8
97.06598	19.0
98.03737	10.1
105.07116	6.0
106.04247	4.3
107.01432	2.1
107.05018	2.6
108.02183	27.6
108.04573	3.2
109.02991	5.8
109.06598	14.4
110.03751	9.1
111.00906	3.0
111.04546	3.4
111.08175	50.2
112.01675	24.6
121.02966	5.7
121.06619	24.4
122.03755	8.0
123.00900	11.2
123.04536	58.0
123.08183	11.5
124.01665	47.8
124.04108	2.3
124.05352	3.0
125.02460	7.6
134.03775	6.4
137.02460	7.9
137.06090	4.6
138.03203	2.8
139.04071	14.2
139.07661	100.0
149.02475	7.4
149.06084	68.0
150.06496	2.8
152.01158	47.3
161.42374	1.9
165.05482	2.3
167.02127	6.7
167.03479	46.0
167.05804	3.8
167.07158	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.051
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
56.69345	0.6
65.03970	0.7
69.00944	1.7
69.03497	0.7
70.31062	0.8
70.68419	0.8
70.68745	1.3
71.44881	0.6
92.05065	4.1
93.03473	1.4
94.02993	3.0
94.03826	0.8
95.01420	0.9
95.05055	0.8
96.02051	3.1
97.00418	1.7
97.03002	0.7
108.02177	2.5
108.04562	100.0
109.04897	3.0
110.06113	1.1
120.04550	6.2
121.01563	0.8
121.03011	1.1
122.02496	1.5
122.03306	2.2
122.06126	4.1
122.37717	0.7
123.00816	1.7
123.03158	2.1
123.04524	2.8
124.01542	13.8
124.04059	0.9
136.04053	12.2
138.05618	99.6
139.03986	1.2
139.05946	3.7
142.02629	0.9
147.82338	0.8
149.01047	1.1
151.00366	1.4
152.01204	3.8
152.03558	2.0
164.03554	1.2
166.03857	1.9
166.05099	50.1
167.02150	17.2
167.03510	3.5
167.05458	1.8
167.07057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.051
Annotation	Orthoform
Peak:m/z	Relative Intensity
51.02383	0.5
55.91981	0.5
66.03492	4.7
67.01898	0.5
69.03447	0.7
71.60720	0.6
74.44890	0.5
77.04019	0.5
79.01897	0.6
80.05063	2.3
81.03479	0.7
82.48194	0.6
83.05020	0.6
91.01931	0.7
93.03454	0.9
93.99336	0.8
94.02982	1.9
95.01411	2.1
95.05003	0.9
97.02924	0.6
108.02180	4.6
108.04564	2.8
109.02970	0.9
110.12488	0.5
111.04527	0.6
120.89874	0.8
121.02972	1.6
122.02473	1.6
122.03306	8.0
122.06122	1.8
122.06920	0.7
123.00866	2.7
123.04548	5.4
123.08179	1.0
124.01670	1.5
124.04015	0.8
124.89389	0.6
125.02467	2.5
129.09416	0.5
135.04523	1.1
136.05301	28.3
137.05634	1.0
138.05595	3.5
139.04013	0.8
141.04819	0.5
148.04938	1.0
150.00946	0.6
151.00362	1.7
152.01157	9.6
165.00203	1.2
166.05099	100.0
166.99860	0.9
167.03502	10.3
167.05403	3.6
167.07141	0.8
173.88197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
58.01516	1.0
58.45337	1.0
60.03575	1.0
61.98837	6.1
71.60332	2.0
80.68277	1.0
98.44135	1.0
116.92075	10.2
117.91917	2.3
119.05040	26.5
120.05351	1.7
162.83868	1.5
162.89372	1.4
163.00391	1.4
163.04048	2.7
163.11296	100.0
164.11623	5.2
180.56294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
70.19075	2.5
72.00910	40.3
91.05554	3.7
103.05549	2.4
119.05043	2.0
120.05340	3.2
121.02950	1.1
146.06087	0.9
147.04526	100.0
148.04875	4.7
164.07167	46.4
165.07521	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	164.0718
Annotation	Tricaine
Peak:m/z	Relative Intensity
61.98825	0.4
65.00341	0.6
67.01897	0.3
69.54543	2.1
71.01371	0.4
72.00903	1.3
72.99316	1.0
75.35909	0.4
77.03986	1.0
80.05065	3.1
92.05091	1.8
92.99833	0.7
93.03468	1.8
94.02986	0.7
95.05011	0.3
108.02150	0.5
108.04567	0.7
108.08200	1.8
109.02969	0.4
119.05047	4.2
120.00924	0.4
120.04558	3.7
120.05376	16.1
121.02963	27.5
121.05348	3.5
121.06587	0.5
122.03780	0.6
124.04041	0.5
132.04941	0.4
135.03279	0.7
136.04054	3.1
136.07686	15.9
137.02501	1.9
137.04836	2.7
137.06003	0.6
137.07991	0.4
147.03339	0.4
147.04532	7.4
149.01009	1.2
149.04807	4.2
150.02138	0.4
150.03241	1.2
152.03539	0.8
153.04268	1.6
164.03467	4.6
164.07172	100.0
164.83585	0.8
164.89549	3.4
165.01944	4.0
165.04359	0.3
165.05579	1.9
165.07520	4.5
165.09178	1.0
181.03833	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	165.0405
Annotation	L-Xylonate
Peak:m/z	Relative Intensity
55.01869	3.9
59.01387	7.4
61.98835	15.2
63.99248	1.3
64.26746	1.0
66.95612	1.0
70.12953	4.3
71.01396	5.5
72.99309	11.1
75.00878	100.0
80.91676	1.6
81.04562	1.0
81.34111	1.1
83.25689	1.0
85.02984	1.6
86.81345	1.1
87.00883	34.1
89.02440	3.6
99.00886	3.0
101.02448	1.2
105.01942	50.8
106.02268	1.1
108.93739	7.8
117.01929	2.3
121.02957	2.2
129.01955	10.9
132.90802	1.0
137.02393	1.2
147.02975	5.0
165.04047	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
61.98830	2.5
64.11143	0.2
71.01395	0.4
71.25949	0.3
81.75943	0.2
91.05548	0.3
93.03467	1.6
104.65430	0.2
119.05031	100.0
120.05373	3.6
162.89339	0.4
163.04007	8.2
164.04320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
57.48330	0.2
62.65757	0.2
67.98663	0.2
70.72938	0.5
70.73267	0.2
78.96124	0.2
93.03465	1.4
113.60840	0.3
117.03512	0.3
119.05034	100.0
120.05375	4.0
151.97464	0.2
163.04005	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	163.0402
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.42182	0.2
69.29021	0.9
69.29445	1.7
93.03477	1.7
93.33680	0.3
98.20589	0.5
101.38941	0.3
114.65990	0.3
118.07870	0.3
119.05039	100.0
120.05366	3.5
134.97311	0.2
146.89238	0.3
163.04027	8.3
163.05389	0.4
176.69214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0765
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
54.92553	0.2
55.20780	0.2
62.80533	0.2
70.22938	0.8
93.03475	0.2
119.05031	2.0
121.02979	1.4
122.03719	0.3
147.04530	2.6
148.05310	100.0
149.05647	4.1
163.07663	3.2
164.07974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1079
Annotation	60046-50-6
Peak:m/z	Relative Intensity
55.01863	2.2
56.45510	0.8
57.03424	0.8
57.97580	0.8
67.01888	1.1
70.44511	1.8
73.02966	5.1
74.00401	0.8
81.03468	1.0
83.01398	4.5
83.05032	1.5
85.02950	3.0
93.03419	1.0
99.04516	0.8
99.92604	1.3
100.34528	0.9
111.00878	1.9
111.04494	1.1
111.08163	1.0
114.05608	4.6
127.00405	1.6
137.09735	3.7
140.01224	2.1
141.86403	0.8
154.86801	1.0
154.99886	2.0
155.03584	1.6
155.10786	100.0
155.86543	5.2
156.06650	1.1
156.11179	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	157.0143
Annotation	5-(Dihydroxymethyl)furan-2-carboxylate
Peak:m/z	Relative Intensity
53.45290	0.7
55.01876	4.3
57.03455	4.7
62.97614	0.6
66.13497	0.6
67.01897	11.9
68.99819	1.5
69.03470	0.6
71.01392	9.8
83.01395	86.1
84.01704	1.5
85.02959	6.2
95.01384	0.8
99.00896	2.5
111.00891	100.0
112.01247	2.1
115.00411	1.3
122.58324	0.9
127.00394	5.8
128.05081	5.1
130.06636	7.3
138.13733	0.7
139.00386	74.2
139.07709	0.7
140.00714	2.4
146.06161	1.1
147.06479	2.2
156.89458	1.4
157.01427	4.8
157.05278	1.2
157.08723	3.8
157.09821	0.7
157.12349	3.8
158.06113	9.5
158.08260	1.9
172.04028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03457	1.7
58.00609	0.5
59.01383	7.0
61.98832	1.2
69.03484	0.8
71.01390	6.0
71.24157	0.6
72.99310	1.3
73.02951	8.4
74.02491	0.3
75.00864	0.8
81.03477	0.9
83.01382	2.1
85.02958	10.2
85.36127	0.3
87.00884	2.0
88.04048	0.5
89.02449	2.0
97.02971	0.5
99.04553	0.9
101.02460	1.2
113.02451	3.7
113.92647	0.6
115.03996	0.4
116.05047	0.9
116.92884	0.6
117.92876	0.4
123.47721	0.3
128.05058	4.0
130.06635	27.9
131.03514	3.7
131.07016	1.5
144.04588	1.2
146.06126	100.0
147.06487	5.2
159.89392	1.6
160.02225	0.4
160.04045	0.5
160.07689	2.9
160.84264	1.4
160.89273	1.9
161.02400	0.9
161.04584	6.3
161.08101	0.7
172.04042	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37283	0.2
57.11158	0.2
63.34845	0.2
69.96066	1.0
79.62010	0.2
93.03455	1.3
96.41956	0.2
119.05035	100.0
120.05370	3.8
131.16856	0.2
163.04024	8.8
164.04367	0.3
168.82460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0715
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
50.61541	1.4
50.98689	1.4
52.39478	1.3
55.01875	13.8
57.03439	3.0
58.00607	10.4
59.01384	46.2
60.83601	1.4
68.99814	1.7
69.03458	4.5
70.01009	6.5
71.01391	12.4
71.05023	2.7
72.02172	4.0
72.99320	5.7
74.02496	1.6
80.02676	1.6
81.03465	3.3
81.07100	3.2
83.01390	8.0
83.05022	10.3
84.02157	9.9
84.04529	2.4
85.02953	5.8
85.06610	2.2
86.00105	16.7
93.03479	6.6
95.01367	2.1
95.05032	34.9
97.06593	14.8
98.14847	1.4
99.04539	2.7
99.08162	30.4
100.01638	1.8
100.08492	1.9
106.55142	1.4
107.05038	66.5
108.02155	3.7
109.06586	7.9
110.00143	1.6
111.00912	3.7
111.04543	4.5
111.08155	3.7
112.01709	3.2
112.04057	5.3
113.02447	1.8
113.06107	11.1
114.05616	100.0
123.04527	3.7
125.02473	1.7
125.06098	22.2
127.00398	4.7
127.07661	31.2
137.02415	3.4
137.06070	6.3
140.01118	2.0
141.08435	1.5
144.00665	1.8
154.99904	8.1
155.02531	2.5
155.03622	3.0
155.07141	18.5
156.06645	7.4
166.10757	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1079
Annotation	60046-50-6
Peak:m/z	Relative Intensity
55.01887	1.6
56.01352	1.1
69.03484	1.4
69.61004	9.2
73.02957	8.7
83.01420	1.9
85.02961	3.5
99.63367	1.2
111.00928	1.3
114.05625	3.3
137.09714	4.0
140.01172	1.3
155.10786	100.0
156.11078	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	155.1079
Annotation	60046-50-6
Peak:m/z	Relative Intensity
52.86215	0.9
55.01882	8.0
57.03434	2.7
57.97560	2.3
59.01377	2.4
67.01871	3.1
68.88322	0.8
68.99822	1.3
71.01394	1.6
71.05020	1.9
71.31141	0.9
71.31480	1.0
73.02958	11.9
81.03458	1.3
83.01396	9.1
83.05034	3.0
84.00920	2.0
84.04549	2.5
85.02962	4.5
93.03454	2.2
97.06606	6.1
98.00075	1.0
98.02478	1.0
99.04537	1.7
99.08160	1.7
99.92590	3.8
109.02916	1.3
109.06602	0.9
111.00897	4.8
111.04505	2.7
111.08159	2.5
111.09283	1.9
112.05315	9.2
113.02437	2.6
114.05615	12.8
115.07649	7.1
127.00382	4.3
127.11279	5.8
129.09247	0.9
137.02446	1.0
137.09726	1.0
140.01161	2.2
154.86890	3.1
154.99863	6.1
155.02588	2.8
155.03638	2.1
155.07176	2.3
155.08272	7.7
155.10786	100.0
155.86545	17.0
155.87608	1.4
156.06667	4.0
156.11084	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	154.9988
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
50.28492	0.8
55.01882	79.9
56.02207	1.9
57.03437	1.8
57.33022	0.8
59.01375	1.9
60.15958	0.8
65.00314	1.4
65.03951	1.0
67.01882	5.2
69.58968	4.3
71.01388	13.7
72.99311	5.9
73.02950	0.9
74.18484	0.8
75.98374	1.0
78.95926	1.7
83.01393	43.9
83.05029	2.2
84.01711	1.1
85.02977	1.4
87.00903	1.4
93.03459	10.2
95.56257	0.7
96.96019	3.7
96.96958	1.5
97.52170	0.7
98.38021	0.8
99.00900	2.1
106.34055	0.8
107.05034	1.0
111.00879	12.1
111.02044	1.3
111.04509	6.2
111.08189	0.8
112.98650	1.9
114.05618	100.0
127.00383	13.8
136.98589	3.5
137.02460	3.0
149.89763	0.9
154.99878	54.4
155.03497	2.8
155.07132	1.1
156.00223	2.4
156.06671	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	155.0716
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
55.01876	19.1
57.03447	10.6
57.97553	5.1
58.00601	12.4
59.01383	67.4
61.94347	2.5
63.37363	2.9
67.01888	6.6
68.99826	6.3
69.03467	6.4
69.45683	12.1
69.46092	9.2
71.01378	31.8
71.05022	7.1
72.02168	7.9
72.99311	9.5
73.02946	3.8
74.57452	3.0
80.02673	4.3
81.03447	6.7
83.01391	26.3
83.05016	21.7
84.02172	15.3
85.02956	11.4
85.06609	3.3
86.00089	21.4
93.03460	6.8
95.01428	4.1
95.05031	56.2
96.96010	3.3
97.06587	16.6
99.04546	4.9
99.08160	47.8
99.92609	12.2
107.05033	100.0
108.05396	3.2
109.02953	4.7
109.06577	10.2
111.00071	11.2
111.00890	9.0
111.04536	9.6
111.08167	16.9
112.01671	4.4
113.02453	8.2
113.06105	21.8
114.05606	19.5
119.39819	2.9
123.04531	3.6
125.06099	32.3
127.00395	9.8
127.03990	3.8
127.07654	26.7
137.02440	7.3
137.06107	6.7
140.01158	7.7
146.06096	4.2
150.43515	3.2
154.86884	7.2
154.99872	11.9
155.02560	6.6
155.03549	9.7
155.07156	40.4
155.10793	7.2
155.86566	41.2
156.06590	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	153.0559
Annotation	Phomalactone
Peak:m/z	Relative Intensity
51.68000	2.6
53.65535	2.6
55.01873	6.3
56.43955	2.8
57.03448	3.0
59.01362	3.4
61.80012	2.9
65.00333	2.6
65.03953	5.7
66.02415	2.7
66.03500	3.8
67.01896	6.6
68.99813	7.3
69.03459	26.4
71.01373	3.2
71.59671	3.6
79.05537	11.6
80.02680	72.8
81.03460	22.9
82.02993	5.2
82.99552	2.8
83.01404	5.5
83.05056	3.6
91.05539	40.1
93.03465	24.2
95.05020	15.3
97.02953	6.7
97.06593	37.8
107.05036	63.5
108.02183	12.1
108.05362	3.8
109.02963	100.0
109.06590	90.6
110.00122	12.6
110.03787	4.8
110.06845	3.8
111.04537	4.1
112.01649	3.7
123.00917	3.4
123.04498	8.0
124.01686	4.7
124.04053	5.7
125.02481	14.7
125.06090	60.5
126.06433	3.9
135.04526	21.2
136.04053	3.8
137.99582	11.8
138.03214	27.2
141.05573	2.7
151.00369	3.3
153.01959	51.2
153.05586	54.8
153.06656	2.2
153.09224	8.3
153.86897	5.9
154.05074	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	153.0923
Annotation	Levodione
Peak:m/z	Relative Intensity
55.01866	0.4
61.98835	1.2
65.00334	1.0
65.03951	0.6
66.03484	1.2
67.01867	0.5
68.99812	1.0
69.03461	1.2
69.64013	0.4
71.59830	0.5
81.03470	2.8
81.07093	1.0
82.03006	0.7
83.01369	1.2
83.05043	0.8
85.02955	0.9
95.01408	0.7
96.31833	0.3
97.02935	1.1
108.02186	4.3
109.02960	36.9
109.06600	6.0
110.00082	2.2
110.02544	0.9
110.03304	1.8
111.04555	0.7
111.08166	23.0
112.04050	0.9
112.08510	0.6
118.89899	0.5
123.00873	0.5
123.04521	0.4
124.01640	0.5
124.04053	1.2
125.02455	3.1
125.06067	0.9
134.99858	0.4
135.04521	1.7
136.04082	1.1
137.06090	0.4
137.99596	2.4
151.00392	0.9
153.01950	15.0
153.05789	2.2
153.09221	100.0
153.86874	34.6
154.01363	0.7
154.02414	0.8
154.05070	1.9
154.09579	4.3
156.05040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0609
Annotation	p-Hydroxypropiophenone
Peak:m/z	Relative Intensity
53.72580	3.5
54.63192	4.1
54.63479	3.8
59.01383	6.1
64.07556	3.2
68.55417	3.5
71.01373	18.1
73.02949	9.2
76.21333	3.9
89.02452	45.7
93.03473	11.8
94.99317	24.3
104.97726	6.0
105.07106	28.1
107.05047	6.7
119.05048	15.8
121.02959	59.5
122.02502	7.6
122.03311	6.0
131.03535	6.0
134.03760	16.2
148.96718	6.9
149.02496	33.1
149.04568	13.0
149.06087	100.0
150.00182	20.9
150.05505	6.0
150.06519	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	150.0422
Annotation	Isoguanine
Peak:m/z	Relative Intensity
50.13905	0.4
59.01364	0.5
65.99846	0.7
66.00971	9.3
68.02555	0.5
70.47271	0.4
71.01375	0.8
71.58835	0.5
73.50688	0.4
78.00980	2.6
79.95714	0.4
80.02551	0.7
82.03018	0.5
82.04096	1.5
89.02430	0.4
90.00972	1.6
95.01368	0.5
104.93356	0.5
105.02070	0.5
107.03643	10.3
107.04987	0.6
108.02048	38.0
122.06142	1.1
123.04556	2.0
126.03102	12.6
132.28062	0.5
133.01572	100.0
134.01964	2.8
136.01671	4.3
150.04222	36.2
150.05548	2.2
151.02626	49.8
152.01015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32224	1.0
70.19767	4.3
107.45446	1.0
121.02944	2.3
128.18779	1.1
134.03754	100.0
135.04112	5.8
136.57144	1.0
149.02483	1.3
149.06036	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	149.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
71.60173	1.5
89.02424	2.1
93.03461	2.6
106.04281	1.6
114.46268	1.1
121.02959	10.7
131.05002	1.3
134.03748	100.0
135.04044	6.1
149.02484	4.6
149.04651	1.1
149.06073	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	149.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76340	0.9
63.65740	0.7
69.58424	0.8
71.33910	1.6
84.11705	0.7
93.03450	1.3
96.45378	0.8
121.02956	2.5
134.03752	100.0
135.04095	6.6
137.86546	0.8
149.02528	1.0
149.06046	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33005	1.3
69.71164	6.5
74.92587	1.3
91.05537	4.4
93.03474	3.8
95.05027	2.7
98.20603	2.4
100.14552	1.2
103.05569	2.2
105.03494	3.5
119.05059	4.8
121.02958	28.4
147.04533	32.2
148.05319	100.0
149.05637	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	149.0244
Annotation	Piperonal
Peak:m/z	Relative Intensity
51.18711	2.0
65.00320	4.2
67.01880	3.8
67.44258	2.2
68.99825	4.0
69.52663	9.7
69.53104	7.5
71.01384	4.1
77.03981	5.5
89.02446	8.2
93.03460	46.3
93.63020	2.1
95.01391	8.3
95.05040	5.2
95.31014	2.7
105.03470	5.7
106.23648	2.1
108.02184	2.4
121.02966	87.7
122.03319	4.6
123.04508	3.7
134.03749	100.0
135.04094	9.0
139.04010	33.8
148.01648	2.6
149.01212	4.5
149.02446	54.8
149.04636	3.7
149.06067	9.4
150.00204	4.3
150.03181	4.5
150.05632	3.5
165.01843	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	147.0453
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
59.01381	12.9
61.98830	31.2
65.75763	7.4
70.94453	18.9
71.01369	12.4
72.99316	37.6
75.00877	13.9
85.02951	26.6
87.00874	26.7
87.91102	7.8
101.02431	15.5
103.04036	10.4
107.58411	10.7
119.05014	19.9
122.13373	7.2
131.95723	6.6
143.02492	7.5
147.04549	100.0
147.06624	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0664
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
53.41449	1.0
57.03451	14.0
59.01385	1.8
61.98835	100.0
70.34823	3.4
71.01371	2.5
71.05006	2.1
72.99300	4.1
73.02955	4.8
75.00880	2.0
85.02959	50.5
86.03294	1.3
87.00888	12.0
101.02449	18.5
101.06075	3.2
103.04016	10.4
103.05944	2.5
129.01083	1.1
129.01927	6.2
129.40327	1.0
139.18239	0.9
147.02992	3.3
147.06644	19.4
148.06897	1.2
162.01280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0665
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
53.69669	1.6
57.03455	23.8
59.01378	6.6
59.77212	1.5
61.98839	28.8
66.33088	1.6
70.68339	1.8
71.01377	8.7
71.05029	10.8
71.54663	2.8
72.99316	8.7
73.02965	12.6
75.00880	3.4
85.02957	100.0
86.03292	2.8
87.00891	5.0
97.80995	2.1
99.00884	1.9
101.02448	41.8
101.06083	7.6
103.04030	19.4
103.05914	2.5
120.03878	1.7
125.15508	2.0
129.01913	3.8
147.03006	3.7
147.04742	2.6
147.06653	56.1
148.07027	2.1
168.10693	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	147.0301
Annotation	(R)-2-Hydroxyglutarate
Peak:m/z	Relative Intensity
51.01358	1.3
57.03449	50.3
58.00583	1.3
59.01376	17.2
61.98836	19.9
66.09538	1.5
70.42672	4.0
71.01392	9.3
71.05034	5.9
72.01695	1.3
72.99300	6.6
73.02914	2.0
75.00880	4.8
85.02954	92.6
86.03294	2.6
87.00881	46.0
89.02415	1.3
94.33466	1.2
98.46827	1.4
99.00879	1.2
100.04028	1.7
101.02446	42.4
101.06075	4.5
102.02772	1.7
103.04020	40.5
103.05974	2.5
114.27476	1.2
125.93174	1.2
129.01950	100.0
130.02295	5.2
147.01964	2.0
147.02992	22.7
147.04761	1.4
147.06631	11.2
148.04388	1.9
148.06107	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0454
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.77618	3.5
57.03441	9.8
59.01387	21.5
59.96614	3.5
61.98520	6.0
61.98837	100.0
67.35556	3.6
70.01970	12.8
71.01387	31.1
71.05036	3.6
72.99303	8.4
74.44070	3.4
75.00868	15.0
75.02415	4.4
76.78832	3.5
82.09391	3.3
84.99313	17.4
85.02966	17.6
87.00837	3.2
92.05092	3.6
94.10131	3.6
99.00916	6.6
101.02454	8.3
102.08179	4.1
103.04025	4.0
119.05032	11.7
120.04522	9.0
147.01993	10.4
147.04539	61.3
147.06627	12.1
152.44415	3.3
154.66209	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	147.0454
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
51.39791	8.8
51.61128	8.8
57.03445	18.0
57.34786	9.4
58.02617	9.6
59.01383	29.1
61.98825	27.6
64.85255	8.9
68.51709	11.1
69.81120	15.4
69.81419	55.6
71.01387	50.8
72.99304	15.3
75.00879	19.3
76.40813	8.7
85.02959	32.5
90.74887	8.3
98.20523	10.7
101.02441	21.8
103.03990	10.1
104.89603	9.5
119.05001	25.5
147.04546	100.0
147.06592	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	147.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	12.2
59.01379	31.3
61.98821	19.2
66.15864	5.4
69.51407	18.2
69.51832	24.9
71.01371	26.9
72.53233	5.5
72.99294	7.3
75.00871	8.8
82.29229	6.0
84.21587	5.3
85.02951	38.5
87.00890	6.2
101.02449	15.0
119.05034	17.7
120.04529	7.0
147.04533	100.0
147.06644	21.3
148.02330	6.2
167.53642	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	147.0453
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
57.03448	6.1
59.01369	14.0
61.98823	5.3
71.01380	13.2
77.79048	5.7
84.99289	7.2
85.02961	7.5
85.27605	4.9
101.02457	10.8
107.06647	4.8
119.04973	10.5
143.08533	5.3
147.01974	7.0
147.04521	100.0
147.06544	10.0
152.75409	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	146.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
70.72542	2.0
73.42166	0.7
74.02500	0.7
80.70081	0.7
82.02982	1.1
84.04568	0.9
85.02969	1.1
85.58228	0.7
85.86685	0.6
102.05616	100.0
103.05967	3.9
107.98214	0.7
109.28120	0.7
112.40859	0.7
119.57965	0.7
124.22807	0.7
128.03549	34.7
129.03923	1.4
146.04605	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	146.046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65142	1.0
57.03453	11.1
59.01382	4.3
61.98832	59.6
64.16019	0.9
70.87170	1.3
70.87513	1.9
71.01398	1.5
71.05029	2.2
72.99313	2.8
73.02920	5.1
74.02495	2.7
75.00874	1.6
84.04552	0.9
85.02960	42.1
87.00874	15.6
92.10513	0.9
97.01219	1.0
101.02454	16.6
101.06097	2.5
102.05614	100.0
103.04017	8.5
103.05950	2.6
128.03552	38.2
128.53244	1.0
129.01955	9.8
129.03909	1.9
146.04591	15.3
147.03052	5.9
147.06639	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	146.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
70.72542	2.0
73.42166	0.7
74.02500	0.7
80.70081	0.7
82.02982	1.1
84.04568	0.9
85.02969	1.1
85.58228	0.7
85.86685	0.6
102.05616	100.0
103.05967	3.9
107.98214	0.7
109.28120	0.7
112.40859	0.7
119.57965	0.7
124.22807	0.7
128.03549	34.7
129.03923	1.4
146.04605	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	144.0456
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
51.75758	0.2
53.29261	0.2
54.48708	0.3
55.52881	0.2
57.51385	0.2
61.67813	0.2
69.52435	0.3
70.83714	0.3
70.84049	0.6
88.42775	0.3
89.69489	0.2
116.05066	1.8
117.03442	0.5
126.03501	1.6
142.02956	0.4
142.52393	0.2
144.04559	100.0
145.04910	7.2
153.83145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
61.78855	0.2
65.49872	0.2
65.99855	0.2
68.34941	0.3
71.08361	0.3
71.08701	0.4
99.30370	0.2
116.05074	2.7
117.03465	0.5
125.60497	0.3
126.03487	1.5
142.03011	0.4
144.04556	100.0
145.03850	0.5
145.04910	6.7
147.65518	0.3
158.94794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79520	1.5
53.00320	12.4
55.18244	1.5
59.01380	2.7
68.99815	2.3
69.03457	2.9
69.81992	8.7
71.01385	28.5
72.18964	1.7
72.99312	2.3
80.99834	3.6
87.00878	5.3
87.04498	1.9
96.99334	10.2
98.19926	2.2
108.85069	1.5
109.11882	1.7
111.93968	1.6
112.98814	17.7
115.00374	3.5
116.05069	3.3
124.98812	26.5
125.02457	3.0
140.74332	1.5
140.98323	5.1
142.99867	55.8
143.10849	3.5
144.00261	2.3
144.04553	100.0
153.27637	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1131
Annotation	(2-exo,3-endo)-2,3-dimethyl-Bicyclo[2.2.1]heptan-2-ol
Peak:m/z	Relative Intensity
55.01878	15.4
56.26676	7.4
62.05272	6.8
67.01901	23.5
68.99844	9.6
69.03441	13.0
75.85004	7.7
83.01409	15.2
85.06597	30.6
95.05018	14.6
97.06596	36.5
98.20620	22.4
111.00883	90.6
123.08176	16.8
134.05717	8.5
138.88966	8.7
139.00426	39.3
139.04019	19.0
139.11292	100.0
140.03485	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	142.0664
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
52.16462	0.9
70.66933	2.7
71.01382	1.4
71.05023	3.7
75.57990	0.9
99.08180	5.4
116.05065	2.4
130.68710	0.9
140.04988	1.5
142.06630	100.0
143.07005	5.6
143.10869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02225	3.6
53.00308	31.3
59.01377	12.6
61.98849	4.1
68.99801	5.9
70.34876	13.3
71.01384	55.6
80.99804	6.4
85.02926	4.8
86.66140	3.3
87.00883	10.3
96.99323	30.9
99.48427	3.4
112.98815	41.1
124.98813	85.0
140.98315	12.9
142.98827	6.6
142.99869	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	138.0561
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
52.62560	1.1
55.01881	3.0
56.55931	1.0
67.01885	4.9
68.99828	1.7
71.59789	1.6
79.95720	1.1
83.01400	2.7
84.02378	1.3
86.76588	1.2
93.03480	3.9
94.02975	3.1
94.03806	9.1
95.01421	2.1
95.05044	3.9
108.02170	6.1
110.02512	2.3
110.03285	1.7
111.00883	14.4
111.04517	1.4
120.04548	2.5
123.03270	100.0
124.01618	1.3
124.03587	4.7
130.56987	1.4
136.00352	3.1
137.89229	2.6
138.01962	15.0
138.02843	6.2
138.05614	92.8
139.00409	9.4
139.04036	3.6
139.05927	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	139.113
Annotation	(2-exo,3-endo)-2,3-dimethyl-Bicyclo[2.2.1]heptan-2-ol
Peak:m/z	Relative Intensity
53.08512	5.5
54.33451	5.2
57.03446	7.9
67.01878	6.1
69.03442	16.3
69.45563	38.0
74.69385	5.1
77.20634	6.3
83.01404	11.8
83.05037	8.5
85.06593	35.5
87.74009	6.1
95.05021	10.0
97.06601	41.0
97.11639	5.9
110.53445	5.6
111.00859	21.1
123.08139	16.3
137.09645	6.2
139.00369	9.7
139.03972	7.9
139.11310	100.0
140.11618	10.4
157.79153	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	134.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02557	0.3
65.01453	0.9
68.02540	0.7
69.75806	1.5
71.08653	0.3
71.76876	0.3
74.22826	0.3
80.02541	0.6
92.02551	9.7
107.03641	37.3
108.03317	0.3
108.03975	0.9
110.64286	0.3
119.33227	0.3
134.04736	100.0
135.03511	0.5
135.04312	1.2
135.05080	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	135.0301
Annotation	L-erythronic acid
Peak:m/z	Relative Intensity
59.01369	8.6
70.59064	5.9
71.01392	31.2
72.99314	17.3
73.01812	16.3
74.99726	5.5
75.00879	100.0
89.02458	6.3
91.02873	3.8
94.93578	1.8
98.20583	2.2
115.00361	7.8
117.00807	31.2
117.01697	3.2
118.01192	2.6
135.01878	12.1
135.02995	20.2
135.04526	5.5
136.41728	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	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09404	0.9
59.01379	1.9
67.21239	1.0
71.01389	75.5
71.48624	2.3
72.01724	1.9
72.99316	19.2
73.96947	0.9
77.03963	3.2
84.25038	0.9
87.00922	1.8
89.02459	8.6
95.05066	5.5
105.03471	13.4
115.00381	100.0
116.00719	4.3
123.04550	1.0
132.02222	2.5
133.01459	18.2
133.02965	13.7
134.01768	1.0
145.88603	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24883	6.6
69.25127	22.6
69.25534	21.8
97.56922	4.8
104.58106	4.8
106.04265	13.2
116.00684	13.3
134.03778	100.0
134.04733	7.1
135.04448	14.8
153.62234	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	134.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24883	6.6
69.25127	22.6
69.25534	21.8
97.56922	4.8
104.58106	4.8
106.04265	13.2
116.00684	13.3
134.03778	100.0
134.04733	7.1
135.04448	14.8
153.62234	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	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
52.98295	1.0
58.19202	1.2
59.01378	1.7
70.09152	5.4
71.01387	82.8
72.01712	2.0
72.99313	16.7
77.03953	1.7
78.53097	1.1
87.00874	2.1
89.02475	8.4
95.05021	3.5
98.19877	1.5
105.03465	5.9
115.00380	100.0
116.00711	3.9
133.01447	23.2
133.02945	6.4
134.01881	1.3
137.80870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
63.20702	0.8
70.90769	1.3
70.91138	1.7
71.01385	67.9
72.01730	2.4
72.99310	17.2
76.16859	1.0
89.02444	7.4
115.00376	100.0
116.00726	3.7
133.01442	20.8
133.02493	1.2
133.02974	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	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
63.76884	0.9
69.58319	4.4
69.58735	2.5
71.01387	67.8
72.01726	2.0
72.99313	16.8
75.85309	0.9
87.00896	1.3
89.02435	7.7
93.76518	1.0
95.05072	1.0
96.11879	1.0
105.03438	1.8
113.12370	1.0
115.00377	100.0
116.00732	2.8
133.01440	21.4
133.02971	4.0
134.01749	1.0
134.03766	7.4
142.48372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
52.68021	1.1
59.01368	1.7
71.01388	85.7
71.07821	1.9
71.08165	1.6
72.01720	2.7
72.99317	22.0
87.00857	1.6
89.02474	7.8
89.84341	1.0
99.83429	0.9
101.63184	0.9
115.00381	100.0
116.00716	3.1
133.01442	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
59.01376	1.4
63.81813	0.6
68.30090	0.7
69.29510	6.0
69.29917	2.1
70.73840	0.8
71.01386	82.2
72.01731	1.7
72.99308	20.8
87.00864	2.0
89.02456	8.8
95.62935	0.8
115.00381	100.0
116.00700	4.3
132.16695	0.9
133.01437	24.1
134.01753	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
71.01387	82.9
71.25417	1.4
72.01741	3.0
72.98923	1.7
72.99311	21.9
87.00876	1.5
89.02457	7.9
112.04323	0.8
115.00381	100.0
116.00705	3.3
130.30699	1.0
133.01443	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01883	19.3
57.03457	68.6
59.01381	6.8
67.01899	72.8
68.58614	7.4
68.99817	9.0
70.22440	26.5
70.22785	11.5
71.01382	26.3
72.99290	9.3
73.02921	9.1
83.01386	10.3
83.05024	23.9
85.02958	100.0
88.04044	25.3
99.00877	17.0
101.02452	24.2
119.57492	7.2
120.48360	6.8
129.01944	41.4
129.03813	11.0
129.05554	20.4
130.08733	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96426	13.6
69.61731	35.0
69.62144	62.0
71.87331	12.9
75.20253	12.6
81.99997	18.8
86.82589	20.1
129.05562	45.0
130.08745	100.0
149.57570	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	129.056
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
55.01864	5.5
57.03443	9.3
67.01910	5.6
71.01402	6.5
71.08725	10.8
76.74922	4.2
83.05031	12.8
85.02958	14.4
92.62952	5.0
107.64475	4.5
128.90149	9.8
129.01945	10.6
129.05582	34.1
130.08749	100.0
131.44528	5.2
142.89571	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	130.0664
Annotation	3-Methylindole
Peak:m/z	Relative Intensity
57.03453	3.9
59.01368	1.5
59.70452	0.4
61.98811	0.5
68.99828	5.0
69.03462	1.1
71.01389	3.6
71.09608	1.0
72.99318	0.6
73.02953	6.3
75.00874	1.9
85.02960	11.3
85.06577	0.8
86.06126	1.1
87.04519	4.7
88.04056	2.9
89.90809	0.4
98.66989	0.4
101.02441	0.6
112.04059	0.5
113.02458	1.7
128.05113	0.8
130.06636	100.0
130.08693	10.8
131.03510	3.8
131.06993	8.1
131.09032	0.6
146.06110	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	130.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11840	1.0
58.24681	1.0
58.48953	0.9
59.01844	1.0
64.75566	1.0
70.92530	1.9
73.60342	0.9
75.29546	0.9
80.67022	1.0
85.59160	1.3
87.36189	1.0
95.10892	0.9
106.03809	0.9
130.08742	100.0
131.09094	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	132.0305
Annotation	Aspartate
Peak:m/z	Relative Intensity
56.95543	0.4
59.01385	2.2
61.24450	0.4
62.64661	0.4
70.02975	1.1
70.92342	1.0
71.01388	72.2
72.00914	2.7
72.01721	0.5
72.99316	13.7
81.36285	0.5
87.00886	0.5
88.04049	100.0
89.02460	5.0
89.03859	0.4
89.04379	2.4
114.01982	3.7
115.00382	93.1
116.00721	0.7
132.03040	21.7
133.01447	15.1
148.03769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
69.27318	0.6
74.61973	0.5
81.69283	0.6
91.05561	0.9
93.03473	5.1
110.48629	0.6
113.00747	0.6
119.05031	100.0
120.05367	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
50.74880	0.8
56.04979	0.8
68.99067	0.7
70.62153	2.4
93.03464	5.0
98.26677	0.8
117.03493	0.9
118.92686	1.0
119.05035	100.0
120.05388	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	129.0197
Annotation	Mesaconate
Peak:m/z	Relative Intensity
50.67696	1.9
51.42665	2.3
55.01868	6.7
57.03451	14.6
57.52543	2.4
61.98808	3.3
67.01895	27.4
68.99799	6.8
70.03844	9.9
71.01375	5.5
72.99297	6.7
73.02943	2.8
83.01376	2.3
83.05032	7.2
85.02439	5.3
85.02957	100.0
86.03256	3.7
87.00895	2.7
88.04058	13.0
94.11668	2.0
95.97302	2.5
101.02431	6.6
105.38775	2.2
113.65832	2.2
129.01941	18.9
129.03911	2.8
130.08743	47.3
142.78563	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	129.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03445	7.7
65.78774	0.6
66.99921	0.6
67.01899	7.6
68.99849	0.9
70.02378	2.9
70.02773	1.2
71.01376	1.6
72.99321	0.7
75.95334	0.6
85.02955	9.1
88.04049	1.0
101.02448	2.1
118.39225	0.7
121.54934	0.7
129.01964	4.6
130.08745	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
60.22398	0.9
69.30924	1.8
69.31332	6.4
77.81668	0.8
91.05544	1.5
93.03470	4.7
104.76064	0.9
118.92713	2.1
119.05032	100.0
120.05357	5.4
135.61043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
71.13482	1.4
84.04317	0.6
87.25434	0.6
87.70123	0.8
91.05524	1.0
93.03460	5.2
104.51820	0.7
106.50251	0.7
119.05031	100.0
120.05359	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
55.36286	0.9
71.33961	1.3
72.02205	1.3
82.64587	0.9
88.06058	1.0
91.05522	1.2
93.03435	5.1
112.89291	0.9
117.03460	1.4
119.05033	100.0
120.05367	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
53.10900	0.8
53.23595	0.7
54.20317	0.7
61.13418	0.7
87.71145	0.8
91.05579	1.4
91.07041	0.9
93.01962	0.8
93.03465	3.9
97.98100	0.8
98.19725	1.6
104.34554	0.9
115.13558	0.8
119.05036	100.0
119.18506	0.8
120.05374	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	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
68.23295	0.3
69.46158	0.3
70.94060	0.9
73.02952	100.0
74.03269	2.9
99.00881	8.3
99.92607	0.9
116.92873	1.9
117.01942	13.7
118.02298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	0.3
95.87602	0.2
107.01402	0.5
109.02980	0.4
121.02982	0.3
133.02933	0.3
149.02486	0.2
151.00389	2.2
159.04453	0.2
161.02411	0.2
163.00397	0.4
167.05110	0.2
169.01436	0.3
171.04478	0.6
171.74681	0.2
175.04056	0.3
178.01373	0.2
178.99854	0.5
183.04518	0.3
185.06085	0.3
187.04031	0.5
192.00780	0.2
192.02663	0.1
198.03056	0.2
199.04008	1.8
199.05754	0.3
201.01912	0.4
205.89827	0.2
211.03963	0.4
213.02055	0.3
215.03479	0.8
226.02849	0.4
227.03461	1.9
229.05011	0.5
243.03001	3.0
254.02101	0.3
255.02948	3.2
256.03574	0.3
257.04489	0.2
271.02478	40.0
272.02765	2.0
283.02469	2.4
284.02951	0.7
285.04001	0.7
299.01968	74.9
300.02527	7.1
301.03531	19.9
302.03729	1.0
430.08768	0.3
431.09412	0.2
433.07797	4.6
434.08127	0.3
445.08234	0.2
446.08530	35.0
447.09180	7.7
448.09897	0.3
579.13550	100.0
580.13934	8.2
593.15289	1.3
594.15668	0.4
595.15448	0.4
783.95782	0.2
832.68408	0.2
950.09686	0.2
1199.22839	0.2
1212.01428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
69.78605	0.5
71.01391	4.2
87.00887	12.3
98.20682	0.7
113.73488	0.5
114.93398	1.1
115.00374	5.9
116.05074	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	115.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79499	2.0
56.12615	1.6
56.14538	1.6
57.97565	5.2
59.01382	4.3
60.28187	1.6
61.25813	1.6
62.63155	1.6
70.36794	6.2
71.01386	66.4
71.05019	8.8
72.01743	3.5
72.98746	1.8
74.02479	6.2
87.00893	3.4
87.04517	3.7
97.93130	10.2
98.02471	1.9
114.93413	16.8
115.00365	6.7
115.04044	16.3
115.05948	3.7
115.96326	2.5
116.07183	100.0
128.38786	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	116.0507
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
73.02953	5.1
78.08936	0.4
84.78586	0.4
88.01177	0.4
92.56512	0.4
98.20616	1.3
99.00822	0.5
99.32616	0.4
99.92591	7.9
115.49760	0.4
116.05072	100.0
116.92864	21.5
117.01941	0.8
117.04659	0.7
117.05414	9.1
131.49863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44949	0.6
61.28259	0.5
69.75784	0.5
70.19624	1.0
73.02956	8.6
80.62523	0.5
99.92595	14.1
116.05070	100.0
116.92865	43.9
117.01926	1.0
117.04697	0.6
117.05413	7.3
132.77023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
53.00106	0.3
55.01876	0.5
71.07768	0.8
71.08097	0.4
73.02953	100.0
74.03291	2.8
99.00887	9.1
100.33064	0.3
117.01945	11.6
118.02287	0.6
126.51804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0038
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
66.73894	1.9
71.01383	100.0
71.34177	3.0
71.34509	2.9
72.01719	3.3
86.63465	1.9
87.00877	4.3
88.25047	2.0
100.84473	2.0
114.93410	4.0
115.00356	9.9
115.05953	2.5
115.92081	3.8
116.07180	43.8
130.28972	2.3
133.91650	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	1123.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95909	59.2
90.98139	0.4
96.96966	4.0
102.15347	0.4
108.24362	0.3
150.98024	0.7
152.99594	61.2
171.00648	17.4
227.03250	3.9
229.35493	0.5
240.45245	0.5
245.04317	81.9
246.04819	0.9
253.21738	40.2
254.22066	1.5
281.24808	0.9
282.25195	0.5
478.29437	0.7
481.25739	100.0
482.26016	5.5
633.30756	0.4
795.22980	1.2
826.80243	0.5
895.44501	0.8
1123.49182	23.2
1124.49512	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	113.061
Annotation	epsilon-Caprolactone
Peak:m/z	Relative Intensity
54.60590	1.7
55.01877	7.2
57.03450	22.3
67.01894	2.6
68.99575	100.0
69.03473	2.5
70.26443	7.9
71.01378	4.8
83.01385	3.3
84.02174	7.5
85.02960	58.6
86.03282	2.7
86.54061	2.0
95.01369	1.9
98.19935	2.5
112.98620	2.0
113.02461	20.4
113.06097	64.3
114.01978	2.1
114.05620	60.1
114.06436	4.6
128.87044	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.713
Annotation	Unknow
Peak:m/z	Relative Intensity
78.35195	0.1
81.03465	3.2
83.01392	3.6
83.05032	7.2
85.02951	1.6
87.00880	0.3
89.02443	1.5
95.01392	0.6
97.02951	0.3
99.00876	0.4
101.02451	9.8
108.04546	0.2
113.01692	0.3
113.02458	4.5
115.00417	0.2
119.03517	1.5
125.02422	0.4
125.07203	0.6
126.05630	0.3
131.03516	1.3
133.01447	0.4
134.03702	0.1
143.03503	1.2
143.08252	0.2
147.27347	0.1
149.04570	2.3
155.03487	0.4
161.04573	4.1
177.02055	0.2
189.78326	0.1
203.05626	0.8
207.15048	0.8
209.15421	0.2
221.06674	1.4
224.17651	1.5
225.16092	9.6
226.16402	0.3
242.18764	0.4
250.15630	0.2
252.07976	0.3
264.07986	0.3
267.10287	0.1
268.16425	0.2
271.66571	0.1
291.20746	0.2
309.21820	0.5
311.09244	0.3
323.09222	0.4
324.26572	0.3
333.23004	0.5
341.10376	0.6
341.29184	0.6
351.24197	0.2
367.27115	1.1
371.20883	0.4
385.28476	0.2
413.21866	0.9
433.31799	1.1
450.34549	1.2
451.32913	6.8
452.33032	0.6
456.28772	0.1
468.35715	0.2
535.38885	0.2
550.43170	1.1
559.39966	0.5
565.44452	0.3
593.43933	0.7
659.48578	2.3
660.49426	0.5
677.49689	100.0
678.49994	11.1
679.50183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70712	2.7
66.97271	2.7
67.01894	59.9
71.22729	3.5
78.95911	91.8
83.01373	6.8
88.59586	2.9
111.00886	100.0
112.01244	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	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70802	0.9
55.01880	10.9
56.90570	1.2
57.98372	1.0
60.11490	0.9
67.01899	24.3
68.02235	1.1
70.48293	3.3
70.98711	1.0
71.01368	1.5
78.95910	100.0
79.95733	3.3
83.01396	30.0
92.45477	1.1
95.93467	3.8
110.95831	5.4
110.97596	8.1
110.98434	1.3
111.00893	49.1
112.01263	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	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01883	37.7
67.01891	35.9
69.91751	11.1
71.01385	8.3
78.44753	2.1
78.95908	66.7
79.95756	2.9
83.01392	100.0
84.01715	4.6
95.93505	3.6
98.19962	4.4
101.91115	2.2
105.47099	2.1
110.95737	2.9
110.97620	4.7
111.00889	73.1
111.02014	3.0
112.01189	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	1085.603
Annotation	Unknow
Peak:m/z	Relative Intensity
76.42072	0.1
78.95908	64.8
91.03917	0.1
96.96966	7.5
144.02338	0.1
150.98036	2.5
152.99594	100.0
153.99896	1.2
171.00633	3.9
234.30992	0.1
277.21823	0.7
398.09445	0.2
431.22021	39.9
432.22366	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	1099.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03454	1.8
98.09883	0.5
98.19737	1.1
99.80763	0.4
104.74440	0.5
107.01352	0.5
108.02179	0.8
109.02911	0.6
115.00372	6.1
117.03447	0.8
121.02956	11.1
122.03772	4.8
133.01451	4.4
133.02968	2.2
134.03745	39.4
135.04543	2.7
137.02458	5.6
139.04018	1.9
147.04420	0.9
149.02448	17.1
149.06076	10.1
150.03232	44.2
151.00348	1.9
151.03569	1.1
159.04506	0.5
163.00366	0.6
164.04784	2.7
165.05566	48.2
165.89241	0.5
166.05928	1.5
176.77893	0.5
178.02710	20.1
178.99902	0.6
179.03372	0.5
180.04276	3.3
193.05054	68.0
194.05357	2.4
195.06628	27.4
196.07034	0.7
199.04048	1.1
201.05612	0.8
205.06590	0.8
211.04037	1.0
221.06076	0.8
227.03470	0.9
229.05035	1.2
233.06114	1.1
234.06813	1.5
235.07590	1.0
238.06441	0.7
239.07152	4.0
243.02966	1.2
250.06366	4.2
253.08725	1.7
254.09488	0.8
255.03004	2.5
257.13483	0.5
265.08868	0.7
267.06512	1.5
271.02484	18.5
271.05399	1.0
272.02856	1.6
282.08981	11.6
283.02423	1.6
283.09341	0.8
297.11331	1.3
299.01981	31.8
300.02545	3.9
301.03525	28.4
302.03873	1.7
326.07986	1.0
341.10278	42.0
342.10553	2.2
361.16541	3.0
371.50998	0.5
389.12418	100.0
390.12637	7.4
446.08578	10.7
447.09241	6.6
505.13678	1.6
563.13873	1.0
593.15106	42.7
594.15552	4.2
1096.10352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	1.9
85.02959	1.9
87.00880	1.0
89.02457	1.1
93.03446	0.9
95.01425	0.6
101.02454	2.5
105.03437	0.5
107.01408	2.5
109.02985	1.1
113.02453	1.4
114.26630	0.5
114.88132	0.5
117.03461	1.7
121.03023	0.5
121.94069	0.5
125.02495	0.9
127.04031	1.0
132.02170	4.1
133.02966	33.6
134.03851	2.1
135.04541	21.4
136.04784	0.6
137.02428	1.1
145.05075	3.0
149.02454	0.5
149.06110	1.2
151.00369	6.0
159.04538	1.3
161.02455	100.0
162.02766	3.2
163.00383	1.2
165.01941	0.8
169.01501	0.7
173.06082	0.6
174.03239	0.7
175.04106	0.6
177.05518	2.3
178.99957	2.7
179.03503	16.7
180.03836	0.8
183.04637	0.9
185.06099	1.0
199.03912	0.5
201.05637	1.0
203.03531	2.8
211.04062	1.8
221.04576	3.4
221.06479	0.6
222.74939	0.4
226.02757	0.9
227.03513	44.9
228.03961	1.5
229.05075	1.7
233.04532	0.6
239.03482	0.7
243.02991	2.1
245.04474	0.7
254.02193	0.5
255.02991	55.9
256.03671	5.6
257.04572	0.9
271.02487	10.1
272.03098	0.6
283.02518	1.1
284.03281	45.2
285.04044	57.1
286.04428	2.7
299.02057	0.6
300.02768	13.6
301.03537	14.1
302.04153	0.8
323.07794	0.7
327.05319	0.8
443.11841	0.6
447.09354	43.6
448.09775	2.5
451.12778	0.5
469.13818	1.3
485.12909	0.5
560.09106	0.5
631.18817	98.5
632.19202	7.7
741.60687	0.5
755.19885	1.4
793.24048	5.2
917.23645	53.9
918.23877	7.9
933.22864	4.2
1079.28796	24.8
1080.28809	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	1079.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	1.9
85.02959	1.9
87.00880	1.0
89.02457	1.1
93.03446	0.9
95.01425	0.6
101.02454	2.5
105.03437	0.5
107.01408	2.5
109.02985	1.1
113.02453	1.4
114.26630	0.5
114.88132	0.5
117.03461	1.7
121.03023	0.5
121.94069	0.5
125.02495	0.9
127.04031	1.0
132.02170	4.1
133.02966	33.6
134.03851	2.1
135.04541	21.4
136.04784	0.6
137.02428	1.1
145.05075	3.0
149.02454	0.5
149.06110	1.2
151.00369	6.0
159.04538	1.3
161.02455	100.0
162.02766	3.2
163.00383	1.2
165.01941	0.8
169.01501	0.7
173.06082	0.6
174.03239	0.7
175.04106	0.6
177.05518	2.3
178.99957	2.7
179.03503	16.7
180.03836	0.8
183.04637	0.9
185.06099	1.0
199.03912	0.5
201.05637	1.0
203.03531	2.8
211.04062	1.8
221.04576	3.4
221.06479	0.6
222.74939	0.4
226.02757	0.9
227.03513	44.9
228.03961	1.5
229.05075	1.7
233.04532	0.6
239.03482	0.7
243.02991	2.1
245.04474	0.7
254.02193	0.5
255.02991	55.9
256.03671	5.6
257.04572	0.9
271.02487	10.1
272.03098	0.6
283.02518	1.1
284.03281	45.2
285.04044	57.1
286.04428	2.7
299.02057	0.6
300.02768	13.6
301.03537	14.1
302.04153	0.8
323.07794	0.7
327.05319	0.8
443.11841	0.6
447.09354	43.6
448.09775	2.5
451.12778	0.5
469.13818	1.3
485.12909	0.5
560.09106	0.5
631.18817	98.5
632.19202	7.7
741.60687	0.5
755.19885	1.4
793.24048	5.2
917.23645	53.9
918.23877	7.9
933.22864	4.2
1079.28796	24.8
1080.28809	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	1077.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.5
93.03467	0.9
99.89854	0.3
100.29075	0.2
105.30681	0.2
107.01394	0.8
117.03502	0.4
125.02441	0.7
126.92528	0.3
132.02190	0.8
133.02998	0.5
133.67412	0.3
134.03716	1.9
151.00389	1.5
153.01924	0.3
154.04268	0.4
159.04451	0.4
160.01601	1.6
161.02429	0.7
162.06960	0.3
163.00346	0.5
165.01910	0.4
167.05000	0.4
169.06592	0.6
171.04453	0.6
175.04019	2.4
178.99904	0.5
180.37195	0.3
183.04515	0.6
184.05464	0.3
185.06085	0.7
187.04002	1.0
193.05042	2.1
193.46654	0.3
199.04211	0.3
202.15945	0.3
211.04022	1.0
213.05569	0.5
214.02641	0.4
227.03500	36.1
228.03941	1.7
229.04988	1.6
235.06003	0.3
239.03575	0.6
241.05063	0.3
243.03143	0.5
255.02991	46.7
256.03644	5.0
257.04559	1.4
269.04266	0.5
283.02454	1.2
284.03271	44.8
285.04047	100.0
286.04425	4.2
327.05072	0.7
431.09833	66.2
432.10120	3.8
447.09213	0.7
645.20331	10.3
646.21100	0.8
649.40753	0.4
755.18121	0.4
931.25201	13.0
932.25659	1.4
1077.31018	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	1069.6074
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05054	0.2
84.55926	0.2
87.00883	0.2
89.02454	1.8
89.54765	0.2
96.96031	1.7
97.06604	0.3
102.07609	0.2
105.03452	0.6
109.01727	0.4
109.02973	0.6
109.32349	0.2
114.74151	0.2
115.00381	45.9
115.05495	0.2
115.07666	0.3
116.00746	0.6
117.03412	0.3
119.05087	0.3
121.02944	0.2
123.04496	0.5
131.05074	0.2
133.01442	64.9
133.03029	1.9
134.01768	0.9
134.03754	3.1
135.04510	1.5
143.05035	0.3
143.10808	0.2
145.03003	0.3
146.03789	0.5
147.04591	0.4
158.03758	1.0
159.04549	2.8
160.05374	0.3
161.02457	0.8
162.03236	0.2
169.10231	0.6
171.04469	1.2
172.05316	5.3
173.02507	0.3
173.06076	1.4
174.03218	6.0
174.06853	2.5
175.03928	0.5
175.07680	1.9
180.05827	0.3
181.06596	0.4
183.04527	0.9
184.05281	4.4
185.06018	1.9
185.09729	0.6
186.06696	0.2
187.04018	7.6
187.07634	4.6
188.04681	0.7
188.08252	0.3
190.05078	0.3
195.08153	0.5
197.06078	9.0
198.06857	4.3
199.07596	0.2
200.04800	0.7
201.05588	0.6
201.09183	0.6
202.06395	2.3
203.07149	0.7
203.10799	3.0
211.07594	0.7
212.08379	0.3
213.09213	61.8
214.09560	2.8
215.07173	2.7
216.07899	0.3
218.05861	0.2
227.07115	0.3
229.08821	1.1
230.09172	0.5
231.10265	64.6
232.03725	0.3
232.10608	3.0
246.05315	0.4
250.07228	0.6
257.08194	100.0
258.08539	4.8
273.07663	1.2
274.08054	0.4
275.09259	45.0
276.09576	1.7
285.04083	0.3
317.23389	0.3
340.18793	0.2
373.09299	2.7
382.02612	0.2
389.25516	2.7
390.19394	3.0
390.25214	1.5
391.10379	4.2
391.19260	2.1
391.26990	3.0
392.10571	0.3
622.28516	0.3
677.49982	1.3
678.50024	0.4
803.94873	0.3
1073.58081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.273
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02464	0.1
89.03981	1.7
90.46752	0.1
103.34582	0.1
106.04242	0.4
115.00381	6.3
117.03471	5.1
121.02935	0.2
133.01443	6.1
133.03000	0.4
134.03749	63.2
135.04073	1.3
137.02457	1.7
139.04019	0.3
142.46889	0.1
149.06093	6.7
150.06332	0.1
151.00401	0.2
165.01913	0.2
165.05516	0.2
169.06593	0.3
178.02725	6.0
185.06110	0.2
189.05621	0.2
193.05064	100.0
194.03651	0.2
194.05388	3.0
196.86043	0.1
213.05501	0.3
214.02637	0.3
227.03499	0.9
229.04979	0.3
229.47916	0.2
241.05110	0.2
243.03107	0.2
243.13489	0.1
243.16113	0.1
255.00470	0.2
255.03006	2.9
256.03656	0.3
257.04446	0.3
271.02570	0.3
283.02481	4.8
284.03229	2.0
285.04053	11.2
286.04514	0.6
300.02679	0.3
301.03561	0.4
309.06158	6.5
310.06488	0.4
430.08969	0.8
431.09790	1.8
432.10144	0.2
447.09241	0.4
494.38782	0.1
609.14624	3.5
610.14758	0.3
755.20428	14.7
756.20697	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	1051.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02953	18.3
83.01396	10.2
85.02954	12.0
86.39825	0.9
87.00875	1.7
89.02439	3.7
95.01365	2.2
97.02956	1.7
98.19937	1.4
99.00880	4.5
101.02454	26.5
113.02457	14.9
119.03554	4.7
121.06622	1.3
125.02460	3.6
125.09732	1.2
128.31030	1.0
131.03485	2.4
137.09729	10.9
143.03511	6.1
147.11813	1.3
148.86032	1.0
149.04559	6.0
151.00325	1.0
155.03525	1.6
155.08716	1.2
155.10789	0.9
161.04562	20.7
163.00345	1.1
169.06590	1.6
171.11774	2.7
173.09712	3.9
183.04509	1.5
185.06035	2.2
187.03870	1.5
189.05521	1.5
189.12849	41.9
190.13185	1.8
195.04497	1.1
203.05627	68.2
204.06006	1.6
207.13896	28.2
211.03978	1.7
213.05519	1.9
214.02707	2.3
215.03557	1.3
221.06696	6.2
225.14957	21.3
227.03581	4.7
229.05083	1.8
239.03378	1.3
243.03029	1.8
255.03000	32.2
256.03326	1.4
257.04529	3.6
283.02490	69.7
284.03070	7.1
285.04056	100.0
286.04449	5.2
369.19223	16.7
387.20099	2.3
429.21292	56.1
430.09042	16.1
430.21790	3.5
431.09790	24.4
432.10001	2.1
577.15656	87.0
578.15936	8.0
599.62946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
80.84946	0.3
83.01397	0.9
85.02966	1.2
87.00870	0.6
89.02460	1.0
89.03989	0.3
93.03483	0.8
95.01414	0.3
97.02959	0.6
99.00900	0.4
99.04556	0.3
101.02449	2.5
105.03429	0.3
107.01398	0.9
109.02956	0.8
113.02480	1.0
115.01912	0.4
117.03465	1.9
119.03501	0.6
123.04513	0.4
125.02505	0.4
127.04016	0.9
131.03496	0.4
132.02188	3.1
133.02962	32.9
134.03838	1.6
135.04532	19.2
136.04845	0.4
137.02443	0.8
143.03555	0.4
143.05025	0.5
145.05054	2.6
149.06076	1.2
151.00406	1.4
153.01862	0.3
157.06616	0.5
159.04533	1.0
160.01605	0.4
161.02449	100.0
162.02783	2.6
169.06641	0.7
171.04550	0.4
173.02425	0.5
175.03979	0.6
177.05586	2.5
178.99928	0.4
179.03502	15.4
180.03854	0.5
182.03645	0.4
183.04536	0.6
185.06070	1.0
187.04074	0.6
189.05505	0.4
201.05569	0.7
203.03548	1.7
211.03873	1.3
213.05545	0.6
214.02666	0.3
221.04610	3.1
221.06619	0.4
227.03499	33.5
228.03877	1.5
229.05090	2.0
239.03491	0.8
241.05067	0.3
255.02989	43.1
256.03653	5.1
257.04538	0.8
281.06570	0.5
283.02478	0.5
284.03265	36.3
285.04037	58.1
286.04373	2.2
323.07730	1.3
327.05032	0.7
375.76938	0.3
417.08325	2.2
431.09821	23.1
432.10352	1.3
443.11826	0.5
469.13483	0.8
485.13065	1.0
503.14114	0.8
631.18793	93.8
632.19147	8.3
645.19965	0.3
755.19678	0.9
777.24872	1.4
917.23572	39.1
918.23889	5.8
919.11890	0.3
1063.29395	14.6
1064.29614	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	1051.257
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	0.5
93.03468	0.3
98.00384	0.2
107.01381	1.4
109.02960	1.0
115.00371	2.8
119.05038	17.6
120.05344	0.4
121.02943	0.5
124.01632	0.3
125.02444	0.7
133.01445	4.3
133.02974	0.6
134.03708	0.3
135.00877	0.4
135.04514	0.4
137.02426	0.3
145.02982	0.2
147.04529	0.4
149.02499	0.4
150.03218	0.8
151.00381	6.5
161.02505	0.4
163.00357	0.7
163.04015	22.0
164.00986	0.2
164.04372	0.8
165.05553	0.5
167.04976	0.3
169.01387	0.6
178.99857	3.1
183.04546	0.3
185.06105	0.3
187.04036	0.3
190.02696	0.5
199.03976	1.3
201.02139	0.3
201.05562	0.3
203.03419	0.3
215.03503	0.8
216.04352	0.5
218.99020	0.3
226.02733	2.8
227.03494	2.1
228.04187	0.5
243.02985	7.6
244.03546	0.4
254.02222	3.4
255.03009	3.0
271.02481	54.9
272.02936	3.2
279.04877	1.3
280.09851	0.3
284.03201	0.4
285.03986	0.4
299.01984	26.5
300.02756	50.2
301.03525	37.0
302.03827	2.0
309.82269	0.3
343.04663	1.6
395.94815	0.3
446.08423	1.2
447.09277	1.0
463.08835	57.8
464.09103	4.2
464.63657	0.3
477.18964	0.8
484.63614	0.3
525.21332	0.9
543.76959	0.3
555.22131	0.4
608.13916	0.9
609.14594	12.3
610.14966	0.9
741.18481	0.5
771.19916	100.0
772.20184	11.6
1053.07483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
50.53787	0.9
59.01384	28.6
60.01710	0.8
70.04182	3.2
72.99312	87.6
73.01232	1.7
73.99624	1.7
74.02490	1.0
75.00880	34.0
75.02802	2.5
91.83974	0.8
98.20551	1.3
103.00362	1.3
105.01940	100.0
106.02290	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	1051.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01360	0.6
107.01392	0.9
109.03002	0.9
110.22749	0.4
115.00372	2.7
119.05038	17.8
120.05376	0.4
121.02951	0.5
133.01447	3.1
133.02943	0.7
134.03725	0.4
143.11937	0.4
149.02460	0.4
150.03310	0.4
151.00389	7.3
159.46373	0.4
162.70299	0.3
163.00375	0.9
163.04024	23.3
164.04375	0.8
165.05597	0.7
169.01422	0.6
178.99881	3.5
187.04051	0.9
188.04814	0.5
199.03984	1.0
211.07982	0.4
215.03539	0.8
226.02740	3.8
227.03569	1.8
243.02991	7.7
254.02226	3.7
255.02919	3.2
271.02484	49.5
272.02951	3.1
279.05063	1.2
280.09689	0.4
281.27634	0.4
299.01993	24.6
300.02765	47.5
301.03540	36.6
302.03876	1.8
315.24564	0.5
324.08847	0.8
324.24927	0.4
325.09213	0.5
343.04565	1.6
446.08545	1.3
447.09048	0.6
463.08847	55.7
464.09106	3.9
477.18860	0.4
550.56360	0.4
608.13989	1.2
609.14600	13.4
610.15027	1.5
741.18860	0.6
771.19946	100.0
772.20288	11.1
772.34619	0.4
773.68048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99304	1.0
74.41296	0.2
77.55167	0.1
85.66183	0.1
89.02464	0.7
89.03986	1.3
106.04230	0.2
107.05061	0.2
115.00379	21.7
116.00694	0.3
117.03470	3.7
117.04263	0.3
121.02920	0.3
133.01443	47.5
134.03749	72.5
135.04036	1.7
137.02437	0.7
139.03960	0.3
149.06097	5.5
161.02417	1.2
178.02721	3.3
179.03439	0.3
193.05064	100.0
194.05386	3.3
227.03586	1.0
255.03000	1.8
256.03543	0.2
276.59351	0.2
283.02554	0.3
284.03302	1.7
285.04025	3.4
286.04413	0.4
309.06180	9.4
310.06491	0.3
335.47299	0.2
405.47531	0.2
417.08270	0.4
431.09811	2.4
432.10205	0.3
469.13528	0.4
493.82928	0.2
493.90070	0.2
631.18683	1.1
755.18799	0.4
917.23389	0.6
1049.27649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02947	3.0
83.01377	1.1
85.02940	1.6
87.00885	0.6
89.02444	1.3
89.04008	0.4
89.70468	0.2
93.03466	0.9
95.01379	0.4
101.02442	2.8
105.03472	0.4
105.42744	0.3
107.01403	1.1
108.02242	0.3
109.02943	0.7
113.02446	0.9
115.00382	0.5
115.01876	0.3
117.03474	1.9
119.03487	0.3
121.02927	0.5
123.00885	0.3
123.04520	0.4
125.02457	0.5
127.04012	1.0
131.03462	0.4
132.02174	2.9
133.02957	34.8
134.03789	2.1
135.00899	0.4
135.04527	19.6
136.04849	0.4
137.02409	0.7
143.03468	0.3
143.05019	0.7
145.05072	2.3
148.05310	0.5
149.06067	0.8
151.00385	2.3
154.04259	0.6
159.04428	0.8
160.01570	0.4
161.02443	100.0
162.02794	3.4
163.00362	0.5
165.01962	0.7
167.04887	0.3
169.06502	0.4
170.59399	0.3
171.04430	0.5
175.04033	0.4
177.05574	2.3
179.03496	17.4
179.67157	0.3
180.03883	0.5
183.04474	0.6
185.06111	1.2
187.04007	0.8
193.05092	0.8
201.05539	0.4
203.03543	2.2
211.03986	1.1
213.05508	0.5
214.02737	0.3
215.03409	0.3
221.04549	3.6
221.06563	0.6
227.03488	33.8
228.03792	1.6
229.05040	1.0
233.04628	0.4
239.03328	0.6
240.04201	0.5
241.05125	0.4
243.03017	0.5
245.04382	0.4
246.69305	0.3
255.02977	45.6
256.03592	5.2
257.04544	0.8
271.02521	0.3
281.06512	0.4
283.02551	0.6
284.03256	40.4
285.04022	62.7
286.04419	3.8
300.02829	0.4
301.03369	0.4
323.07623	1.0
327.05035	0.3
417.08249	27.6
418.08694	2.1
469.13327	1.6
485.13010	0.8
503.14038	0.4
527.71838	0.4
631.18756	95.6
632.19092	8.6
736.78888	0.3
739.03351	0.3
755.19073	2.0
763.22852	3.7
917.23560	57.9
918.23749	9.7
1032.72644	0.3
1049.28040	6.4
1050.28125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.252
Annotation	Unknow
Peak:m/z	Relative Intensity
91.01865	0.3
107.01394	1.5
108.02173	0.9
109.02956	0.9
119.01279	0.3
121.02953	1.2
124.01637	0.3
125.02489	0.3
135.00845	0.5
148.01666	0.9
149.02519	0.3
151.00375	7.2
153.01945	0.3
163.00401	1.9
164.01149	0.5
169.01410	0.7
175.03957	0.4
178.99858	4.4
183.04533	0.5
187.04044	0.4
192.00703	0.4
198.03188	0.3
199.03926	0.5
201.05542	0.4
211.04066	0.6
215.03584	0.5
216.04297	0.4
219.19511	0.3
226.02737	0.9
227.03510	2.3
228.03990	0.3
229.01486	0.4
229.04976	0.6
239.03609	0.3
243.02975	7.9
244.03598	0.6
245.04573	0.9
254.02151	1.7
255.02989	19.2
256.03397	0.9
271.02475	40.5
272.02942	3.0
273.04034	1.0
283.02448	2.0
284.03122	0.5
285.03983	1.6
299.02032	1.1
300.02759	77.4
301.03516	34.2
302.03940	1.9
329.13681	0.5
343.04605	0.4
370.67612	0.3
461.07532	0.4
463.08826	100.0
464.09103	6.7
577.15479	1.0
577.24487	0.3
760.75494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03488	0.4
96.96012	0.4
107.01423	0.3
117.03448	0.6
133.01495	0.4
151.00363	0.7
154.04248	0.7
159.04491	0.6
163.00429	0.5
165.01984	0.3
169.06583	1.7
171.04521	0.5
173.02411	0.6
183.04546	1.2
185.06111	1.8
187.03975	1.1
189.05507	1.5
195.04475	0.3
197.02458	0.3
197.06030	0.3
198.03250	0.3
201.05383	0.4
211.04124	1.3
211.05780	0.3
213.05606	2.2
214.02647	0.8
215.03479	0.7
217.05113	0.3
227.03516	3.5
229.05014	1.2
239.03455	0.6
241.05016	0.5
243.02881	1.2
247.05447	0.2
255.02982	22.3
256.03577	1.4
257.04550	2.1
283.02490	56.0
284.03055	5.2
285.04047	83.4
286.04385	3.9
320.41776	0.3
327.05096	0.3
335.03403	0.6
356.27338	0.3
430.09058	13.4
431.09839	29.9
432.10117	2.1
448.36227	0.3
478.04578	0.3
577.15637	100.0
578.15991	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	1035.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01720	0.1
72.99316	2.1
87.00893	0.5
89.02448	1.6
93.03467	0.3
95.18222	0.1
115.00381	36.6
116.00711	0.5
117.03481	0.2
119.05035	27.3
120.05391	0.8
133.01442	100.0
134.01784	1.4
134.03772	0.2
135.04541	0.2
163.04016	30.7
164.04372	1.0
189.09360	0.2
193.05099	0.3
207.85660	0.1
227.03514	0.7
249.27612	0.1
255.03105	1.0
256.11615	0.1
279.05106	6.4
280.05347	0.3
283.02551	0.2
284.03296	1.0
285.04056	1.6
299.02063	0.1
309.09897	0.3
316.58942	0.1
325.67624	0.1
345.70459	0.1
423.19992	0.1
447.09277	2.1
447.15253	0.1
448.09518	0.2
526.68677	0.1
530.53101	0.1
593.15497	0.2
596.99231	0.1
609.14941	0.2
755.20081	0.3
858.54999	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	1014.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60445	96.0
79.44910	88.4
79.84118	100.0
85.89545	95.7
101.82765	94.5
119.15067	92.4
120.68989	86.7
188.23369	90.9
203.15977	99.4
482.26361	84.2
745.72626	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	1.0
71.59566	0.2
74.99104	23.0
75.78044	0.2
79.95742	15.4
80.96530	1.2
82.57713	0.2
85.02966	1.2
89.02464	0.3
95.95238	56.1
96.96017	78.3
101.02439	0.8
107.19820	0.2
111.92935	0.2
115.00358	0.3
119.03522	0.5
119.05037	0.5
120.05416	0.2
121.95567	0.3
127.92454	0.7
128.93243	0.3
133.01413	0.5
138.97067	0.8
159.58983	0.2
163.04012	0.6
164.04317	0.3
195.03352	0.5
233.44075	0.2
235.05392	0.6
259.01282	1.3
274.99002	0.8
290.98517	0.4
477.06436	100.0
478.06781	8.0
700.23560	0.2
798.27002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15148	0.2
71.15493	0.3
90.70466	0.2
99.92590	20.0
100.92588	0.8
114.93416	0.8
116.92868	100.0
117.92871	3.7
133.02982	0.5
135.04509	0.5
161.02437	2.0
178.18047	0.1
179.03482	0.3
200.18440	0.1
204.05229	0.2
221.04532	0.2
227.03555	0.5
255.03026	0.9
256.03574	0.2
281.06757	0.2
284.03275	0.9
285.04059	2.1
431.09866	0.9
469.13507	2.6
470.14124	0.3
755.18231	2.6
756.18384	0.4
819.08978	0.5
901.24091	2.2
902.24408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.59
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	25.6
77.34933	3.2
85.02951	3.9
87.00859	6.9
88.27029	3.5
89.02440	18.3
101.02447	13.3
106.35765	4.3
111.43947	3.7
113.02444	6.9
117.58132	3.7
119.03583	4.5
121.10254	4.6
125.02459	10.7
171.10287	14.5
179.05600	6.7
183.13824	6.1
191.75420	3.5
235.08226	7.9
235.16959	22.2
265.61459	3.8
275.20160	44.5
277.21686	85.7
278.22186	4.5
293.21234	100.0
294.21472	7.9
300.12750	4.5
304.32071	3.8
305.08829	5.4
317.72626	3.7
379.12430	21.9
397.13531	70.5
398.14059	5.4
415.14563	20.0
667.24274	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	1002.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14762	2.7
71.01397	0.9
74.02478	9.3
81.04550	0.8
82.02986	1.5
86.02483	3.7
86.99101	1.1
87.05637	2.2
90.00207	1.6
97.04057	0.8
98.20596	1.0
98.83722	0.6
99.05645	9.0
101.07198	1.3
102.05591	1.7
109.04054	2.2
111.05612	0.8
112.04028	1.2
116.01776	1.1
116.92841	1.2
127.05129	2.2
128.02567	1.0
128.03540	27.6
135.05646	2.2
141.06717	2.0
143.04631	31.1
145.06207	1.5
146.04581	2.7
149.03590	0.7
153.06693	2.6
160.00729	9.2
166.09821	1.1
167.04613	2.6
167.08228	1.8
177.03424	4.2
179.04633	7.3
180.12605	0.7
185.05692	1.1
205.95888	0.6
209.11871	1.5
210.08842	7.7
211.09053	0.7
242.07793	0.9
254.07808	7.9
272.08890	15.0
288.06668	5.6
306.07654	100.0
307.07932	3.9
309.81567	0.7
418.27036	0.9
458.83316	0.7
748.96387	0.7
859.06543	0.7
1002.48792	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	986.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	7.9
69.07076	29.5
71.04980	3.5
71.49914	1.8
73.02911	3.9
77.03945	1.9
79.05497	66.4
81.03417	9.6
81.07061	85.1
83.04991	8.6
83.08617	14.9
85.02912	12.1
85.06554	4.2
89.26771	1.2
91.03954	3.9
91.05485	55.2
93.07050	72.0
95.04971	12.1
95.08611	58.4
95.09232	1.8
97.02906	7.8
97.06540	11.7
97.10173	9.9
99.04453	2.2
99.08109	3.6
100.14058	1.1
103.05440	1.3
105.04523	2.0
105.07037	37.3
105.08128	1.5
107.04936	6.1
107.08601	47.9
109.02874	1.9
109.06512	5.6
109.09443	2.3
109.10165	32.1
111.08073	4.4
113.09665	1.5
117.07024	19.7
119.08592	29.7
121.06532	2.7
121.10148	31.3
123.08061	4.5
123.11736	6.8
125.09624	8.7
127.03922	5.1
128.06262	2.6
129.05493	1.7
129.06992	7.5
131.08578	28.7
133.10138	26.3
135.08054	6.1
135.11700	19.4
137.09612	3.2
137.13307	1.9
139.11235	1.5
141.06969	2.7
143.08592	8.1
145.04935	2.4
145.10139	19.9
147.08034	2.1
147.11696	16.0
149.09619	9.6
149.13298	12.2
151.11230	2.8
155.08548	2.9
157.10109	6.1
159.11700	19.4
161.13284	9.0
163.06018	1.3
163.11194	7.1
163.14848	3.1
165.12871	2.2
169.10158	3.6
171.11700	6.1
173.04457	2.3
173.11827	2.1
173.13187	11.7
175.11217	1.7
175.14833	3.5
177.12761	2.7
183.11696	3.3
185.13242	5.2
187.14835	3.1
189.11220	5.0
195.13716	1.6
197.13335	1.9
199.14818	2.6
201.16385	3.0
203.14391	2.5
209.13304	1.6
217.15973	2.1
219.17424	1.7
227.12779	12.1
229.14313	10.9
229.19621	1.3
235.17023	2.0
239.18040	3.0
241.19543	1.7
243.21091	4.4
247.20665	1.8
255.15881	1.5
257.19000	6.9
259.20605	4.8
261.22186	12.5
267.15933	1.4
269.17465	16.9
275.20071	33.0
277.21600	2.4
283.18961	1.6
293.21143	3.9
309.20578	6.2
317.24796	2.6
331.22665	2.3
333.24100	1.8
335.25821	100.0
336.26056	2.5
349.23746	39.8
351.25348	1.8
367.24780	3.5
489.35532	10.0
505.34927	2.3
515.37500	7.4
529.38928	49.5
530.38965	1.7
543.40448	3.2
569.42041	18.4
591.43250	1.3
609.45129	56.7
610.45007	2.2
627.46198	11.6
742.64160	1.5
750.52454	1.7
756.04730	1.3
771.49432	2.1
879.30316	1.4
884.99213	1.4
986.55817	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	970.609
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62067	2.4
68.17978	2.5
69.03413	4.4
69.07066	24.2
71.04979	4.5
71.58822	4.2
73.02900	4.5
79.05492	86.4
81.03428	2.5
81.07058	85.8
83.04987	4.8
83.08617	13.2
85.02905	22.8
85.06590	2.4
91.03949	13.6
91.05479	80.9
93.07044	100.0
95.04979	15.5
95.08607	73.0
97.02895	11.8
97.06544	4.5
97.10189	3.4
103.05463	2.6
105.07032	84.2
107.08590	52.5
109.06524	2.9
109.10154	31.2
110.85490	2.5
115.05445	2.7
117.07001	28.5
119.08584	60.7
121.10147	45.4
123.07953	2.5
123.11701	8.4
124.48991	2.4
125.09599	4.4
128.06197	2.5
129.06981	14.8
131.08566	41.2
133.10133	54.8
133.11076	4.3
135.08078	3.9
135.11699	29.4
137.13243	3.4
140.85899	2.5
141.06982	3.7
141.73993	2.5
142.07765	3.3
143.08574	13.3
144.09367	3.5
145.04945	6.6
145.10120	32.3
147.08078	4.0
147.11687	39.4
149.09624	3.5
149.13258	18.1
151.11218	3.6
155.08569	3.6
157.10175	15.1
159.11688	34.8
161.13269	34.0
163.06038	9.8
163.11118	3.4
163.14835	7.4
169.10170	6.4
171.11681	15.7
173.13258	21.9
175.14856	11.3
183.11678	4.0
185.13239	13.2
187.14809	6.2
195.11716	3.2
197.13289	6.0
199.14859	9.7
201.16348	5.4
211.14832	4.0
215.18388	2.6
231.21103	6.1
239.17931	4.3
241.19572	26.5
243.21190	5.5
257.18961	7.7
259.20581	69.7
261.22113	13.8
266.10101	2.5
311.23734	3.4
315.23184	7.3
331.22568	3.4
333.20343	5.1
333.24231	70.4
334.24347	3.0
335.25812	93.9
336.26239	3.2
337.27310	7.8
349.21573	2.8
367.22647	3.2
370.17529	2.4
390.17657	2.7
489.35471	4.1
501.41135	3.9
519.41852	5.7
537.42706	4.4
593.45764	19.8
611.46747	97.7
611.56854	4.6
612.47180	4.8
701.47699	3.6
719.49182	3.2
737.49829	4.0
970.55688	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	954.615
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	57.7
69.03427	2.3
69.07071	14.6
70.00907	3.7
71.05021	1.9
71.08624	1.1
73.02906	4.4
79.05495	38.0
81.03432	1.8
81.07058	60.7
83.04993	1.0
83.08621	8.8
85.02905	15.6
85.06545	1.2
91.03961	10.6
91.05481	24.3
93.07044	45.5
95.04971	4.0
95.08609	48.8
97.02890	8.2
97.06530	3.0
97.10171	3.1
98.21220	1.9
99.04474	1.0
99.08086	1.7
105.04548	1.3
105.07037	20.0
107.08595	26.5
109.02853	0.9
109.06504	2.1
109.10155	21.0
111.08077	1.4
117.07018	7.7
119.08585	15.7
121.10146	20.2
123.08097	1.0
123.11722	8.7
125.09621	1.3
127.03929	5.4
129.06985	2.9
131.08569	12.0
133.10135	15.6
135.11699	14.9
137.09657	1.4
137.13272	3.6
143.08595	2.2
145.04932	4.7
145.10138	11.6
147.11690	10.8
149.13255	11.0
151.14854	0.9
157.10130	3.2
159.11690	10.5
160.83052	0.8
161.13242	7.9
163.06030	6.9
163.11119	1.0
163.14812	4.5
171.11725	2.6
173.13280	8.8
175.11078	0.8
175.14813	4.5
177.16318	0.8
178.94705	0.8
185.13255	2.5
187.14836	4.3
189.16478	1.4
195.13791	0.9
199.14874	1.9
201.16388	1.4
203.17923	1.1
213.16458	1.3
215.17770	1.1
231.21024	0.8
233.22716	0.9
241.19557	3.2
243.21144	6.2
245.22716	1.1
258.44815	0.7
259.20578	9.4
261.22128	21.3
263.23761	2.1
273.22116	1.1
277.21579	0.9
279.23300	0.8
285.22180	1.0
299.23660	1.3
317.24701	4.1
333.24252	9.2
335.25793	100.0
336.26138	3.0
337.27414	14.2
495.56439	0.9
503.36844	1.0
521.43298	3.9
529.38977	0.9
543.40265	1.2
595.47174	17.7
596.47375	1.2
613.38782	1.6
613.48242	22.3
614.48212	0.9
792.10931	1.1
873.63916	0.8
908.42969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6145
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	57.6
69.03423	1.9
69.06720	0.9
69.07069	14.8
71.04981	1.8
71.08653	1.0
73.02917	5.4
79.05493	42.4
81.03407	0.9
81.07057	63.8
83.04972	1.6
83.08610	8.2
85.02905	17.6
85.06528	2.3
91.03957	12.0
91.05482	25.8
93.07045	49.1
93.99966	0.8
95.04977	4.9
95.08606	52.6
97.02889	9.7
97.06530	3.1
97.10159	2.9
98.21115	4.9
99.04481	1.2
99.08095	1.2
105.04561	1.1
105.07035	22.3
107.08595	26.5
109.02866	0.9
109.06495	2.1
109.10160	25.5
111.08067	1.2
115.05443	1.1
117.07031	7.5
119.08581	20.2
121.10146	24.3
123.08058	1.1
123.11719	9.5
125.09642	1.3
127.03944	4.4
129.06963	2.1
131.08571	14.5
133.10144	15.8
135.11690	16.7
137.09630	1.2
137.13251	3.5
139.56702	0.9
143.08554	2.7
145.04968	6.8
145.10133	11.4
147.11671	12.4
149.09602	1.3
149.13269	10.3
151.11151	1.2
153.12733	1.1
157.10124	2.6
159.11702	11.3
161.13292	9.8
163.05989	6.0
163.11288	0.8
163.14819	5.5
169.10118	1.0
171.11729	3.2
173.13245	9.3
175.14804	5.1
177.16411	1.4
185.13283	2.7
185.18427	0.8
187.14825	4.7
199.14789	2.2
201.16362	2.1
203.17848	1.1
215.17937	1.1
231.21101	0.9
241.19516	3.4
243.21068	6.0
259.20529	9.6
261.22137	21.3
263.23730	2.6
263.52603	0.7
287.53220	0.8
299.23660	1.0
317.24808	3.8
333.24307	9.2
335.25790	100.0
336.26059	1.6
337.27353	14.4
341.28110	0.9
390.95493	0.8
469.44467	0.8
517.39081	0.9
521.43408	2.6
539.45319	1.0
595.47198	16.8
613.38812	1.5
613.48297	21.5
614.48486	1.3
651.03186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99794	0.2
69.03426	0.9
70.06593	0.5
71.04993	3.7
71.58314	0.1
73.02931	0.2
76.03128	0.1
76.92165	0.1
77.03925	0.5
81.03414	2.8
83.04985	1.5
84.08158	0.1
85.02905	4.9
87.04458	0.2
89.03924	0.4
89.17575	0.1
91.05480	15.2
95.05000	0.2
97.02900	0.4
99.04456	0.3
103.05494	0.5
105.03377	0.5
107.04954	0.2
109.02873	0.9
110.07176	0.1
111.00796	0.2
111.04433	1.0
117.03404	0.1
118.04152	0.3
119.04942	24.9
120.05286	0.4
120.08112	0.2
121.02864	1.6
122.03690	0.1
123.04426	0.1
127.03938	0.7
129.03363	0.4
129.04550	0.2
129.05492	0.9
129.10231	0.2
130.06506	0.4
131.04915	0.3
132.02080	0.8
133.02823	0.4
135.04407	0.4
136.05202	0.3
137.02322	0.3
145.02873	0.4
146.03593	0.2
147.04410	22.9
148.04762	0.4
149.02353	0.8
153.01788	0.9
157.02779	0.2
157.03964	2.0
157.05144	0.2
157.06610	0.1
162.03154	0.3
163.03952	0.2
164.04716	0.8
165.01852	0.4
167.07037	0.4
174.03229	0.1
175.03903	40.7
176.04242	0.8
177.05467	0.3
178.02629	0.2
179.03293	0.1
179.07014	1.8
183.02927	0.2
185.05922	0.2
192.04204	0.7
193.04706	0.1
207.06526	100.0
208.06857	1.9
209.07988	0.2
213.05428	0.2
219.06575	0.2
221.07970	0.1
225.07565	0.7
231.06479	0.4
237.07632	0.1
241.05002	0.3
258.05139	0.4
259.05893	0.2
271.09668	0.1
275.09006	0.2
283.05923	0.1
287.05490	32.6
288.05847	1.0
299.05484	0.7
299.08789	0.2
300.05789	0.1
311.05493	0.1
317.10220	0.7
325.07062	0.1
328.86850	0.1
329.06534	1.2
335.11234	0.5
351.10739	4.0
353.06595	0.4
353.12216	0.4
369.11819	6.4
370.12119	0.3
379.07962	0.2
385.11343	0.1
397.09106	0.9
415.10172	0.7
433.11285	1.7
461.14297	0.2
479.15305	0.3
790.07306	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	937.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	1.6
69.03439	2.8
69.35783	2.6
69.36190	0.7
71.04988	0.8
71.08625	1.0
73.02921	3.3
79.05507	1.7
81.03416	1.2
81.07056	1.7
85.02920	4.1
85.10194	0.6
91.03945	2.7
91.05508	0.5
93.07043	1.0
95.08632	1.6
97.02898	5.5
97.10175	0.7
98.20846	1.5
98.21507	0.9
99.04459	0.5
101.02396	2.4
103.03953	0.5
107.08610	0.6
109.02920	0.9
109.10169	0.9
111.34295	0.4
119.08575	0.5
121.10133	0.6
127.03940	1.9
135.59619	0.4
185.04309	0.7
203.05438	0.8
243.08560	1.7
347.09647	1.9
351.81076	0.5
365.10687	0.9
369.89163	0.5
405.13803	5.4
421.68158	0.5
497.30878	3.3
519.29388	4.6
549.37756	0.5
659.36462	3.4
681.34570	5.7
714.52795	0.4
717.57916	0.4
775.53278	1.3
937.58612	100.0
938.58917	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	935.245
Annotation	Quercetin 3-(6''''-p-coumarylsophorotrioside)
Peak:m/z	Relative Intensity
67.61111	0.1
68.99799	0.2
69.03431	1.2
70.06606	0.1
70.98308	0.2
71.04985	0.2
73.02930	0.2
79.05493	0.7
81.03419	3.1
83.04980	1.5
85.02911	2.5
86.96096	0.1
89.03914	5.4
90.04237	0.1
91.05489	0.2
95.04945	0.4
97.02900	1.0
99.04451	0.4
100.36094	0.1
100.77470	0.1
107.04957	1.4
109.02892	1.3
111.00825	0.5
111.04463	0.5
117.03383	6.2
121.02855	0.5
123.04444	0.2
127.03912	1.0
129.05515	0.5
135.04419	14.7
136.04749	0.2
137.02348	2.5
137.03394	0.2
145.02850	11.7
146.03242	0.1
149.02351	0.3
153.01823	1.7
153.02965	0.1
163.03908	100.0
164.04254	1.1
165.01813	0.8
173.05959	0.2
177.05505	0.2
179.03430	0.1
181.03377	0.2
181.04964	3.8
183.02905	0.3
186.05478	0.2
187.03893	0.1
191.03430	0.2
201.05513	0.8
205.04944	0.1
215.03459	0.1
219.02953	0.2
219.06517	0.2
229.04997	1.9
247.06044	0.4
257.04468	1.5
261.59772	0.1
265.06979	0.1
273.07648	0.4
274.04785	0.4
275.05313	0.1
285.04010	0.6
287.05637	0.2
291.08694	0.2
303.04993	49.6
304.05270	1.0
307.08130	3.8
315.05002	0.1
325.09186	4.2
326.09598	0.1
345.06076	0.4
435.12854	0.3
449.10794	0.8
465.09961	0.1
730.29102	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	933.265
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99803	0.3
69.03429	2.2
69.88060	0.3
69.88474	0.2
70.06590	1.3
71.04975	0.4
73.02887	0.1
76.02225	0.5
79.05472	0.1
79.58890	0.1
81.03423	0.3
84.04491	0.3
85.02900	0.9
89.03384	0.2
89.03910	2.0
90.96758	0.1
91.05490	0.1
95.04969	0.1
97.02876	0.3
98.21025	0.3
99.05555	0.1
101.04234	0.2
103.05445	0.2
105.03377	0.2
107.04945	0.2
109.02868	0.3
111.00835	0.4
112.02184	0.2
115.52198	0.1
116.01693	0.2
117.03382	6.3
117.97826	0.2
119.04951	0.1
121.02863	1.8
121.06446	0.1
123.73419	0.1
127.03899	1.0
129.05447	0.2
130.05003	0.1
131.04955	0.1
133.02838	0.3
134.03639	0.3
135.04436	0.5
137.02347	0.5
137.05927	0.2
139.64188	0.1
145.02844	19.5
145.05899	0.4
146.00830	0.1
146.03188	0.2
147.04390	0.4
149.05975	2.1
153.01837	2.3
153.06570	0.3
157.06470	0.3
161.05911	0.1
163.03926	0.8
165.01840	1.2
171.04469	0.1
175.03915	0.1
175.07513	0.1
177.05469	37.1
178.05843	0.4
183.02864	0.5
185.06024	0.2
186.05502	0.3
187.03593	0.2
189.05498	0.1
195.06493	0.6
199.07175	0.3
203.03531	0.1
203.07178	0.1
207.06517	0.1
212.77974	0.1
213.05460	0.8
215.07112	0.1
221.00607	0.2
231.06447	0.7
241.04883	0.7
243.06310	0.1
258.05231	0.8
259.06049	0.4
261.07608	0.1
266.11707	0.1
269.04507	0.2
273.03546	0.4
286.04688	0.2
287.05490	100.0
288.05820	2.1
290.06204	0.8
321.09705	1.5
329.06537	0.1
339.10757	5.2
419.10471	0.4
433.11316	5.0
434.11948	0.2
467.11142	0.2
586.78992	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	933.2654
Annotation	Kaempferol 3-[2Gal-(6'''-feruloylglucosyl)-robinobioside]
Peak:m/z	Relative Intensity
65.03957	0.1
68.99797	0.2
69.03426	1.6
69.42696	0.1
69.82929	0.4
71.04986	0.3
73.02901	0.1
73.64356	0.1
75.32378	0.1
75.88364	0.1
78.04712	0.4
79.05476	0.1
81.03417	3.0
83.04977	1.6
85.02411	0.2
85.02903	2.9
87.04500	0.1
89.03910	5.2
91.03959	0.1
91.05483	0.4
95.04957	0.1
97.02892	0.9
98.21058	0.3
99.04464	0.3
103.05468	0.3
103.67410	0.1
105.03397	0.3
106.04202	0.2
107.04977	0.2
109.02882	1.0
111.00807	0.4
111.04446	0.4
117.03376	15.5
118.03668	0.2
119.04967	0.2
121.02873	2.3
124.05238	0.2
127.03907	1.0
129.04636	0.1
129.05484	0.4
130.06448	0.1
133.02881	0.3
134.03627	1.0
135.04410	1.2
137.02309	0.5
145.02840	43.5
146.03178	0.6
147.04370	0.5
149.05975	5.6
151.03862	0.2
153.01814	1.8
157.06419	0.2
161.05882	0.2
162.03163	0.2
163.03909	0.7
165.01833	1.0
171.04497	0.1
177.05463	100.0
178.05814	1.2
183.02905	0.5
185.05962	0.3
186.05447	0.7
193.05054	0.1
195.06529	1.4
197.70268	0.1
198.38341	0.1
203.07068	0.2
213.05373	0.6
231.06567	0.5
239.69720	0.1
241.04918	0.7
258.05142	0.7
259.06015	0.3
259.09677	0.1
287.05484	55.0
288.05823	1.3
299.05511	0.1
305.10199	0.2
311.05597	0.2
321.09695	4.1
322.09546	0.1
329.06390	0.2
339.10745	5.6
340.11154	0.2
355.10376	0.1
397.09183	0.1
431.13925	0.1
433.11279	0.4
449.15082	0.2
551.90436	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	932.6303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03899	1.8
67.05507	30.9
67.20812	0.6
69.03393	2.5
69.07071	10.8
70.70736	1.4
71.04960	1.8
71.08635	17.1
71.08997	0.7
73.02915	4.9
73.79110	0.6
76.81963	0.7
78.94400	0.6
79.05495	19.9
81.03391	1.3
81.07059	38.1
83.04932	0.7
83.08627	9.0
85.02907	13.3
85.06548	0.7
85.10193	8.3
89.06019	1.1
91.03958	9.3
91.05488	9.5
93.07045	23.1
95.04930	1.8
95.08610	33.1
95.79407	0.6
97.02889	7.5
97.06522	0.8
97.10173	4.2
99.04455	0.8
99.08088	0.7
103.07513	0.7
105.07044	6.6
107.08597	13.1
109.09473	0.9
109.10158	16.6
111.11688	0.8
117.07017	3.1
119.08588	6.0
121.10155	11.6
123.08043	0.9
123.11703	6.9
127.03926	4.2
131.08569	7.0
133.10150	5.7
135.11690	8.9
137.09593	1.0
137.13226	2.0
145.04984	5.6
145.10110	6.0
147.11713	3.5
149.13252	7.8
159.11711	4.0
161.13235	4.4
163.06018	6.8
163.11188	1.0
163.14830	4.6
173.13286	4.9
175.14796	1.4
177.16345	1.9
187.14752	3.3
201.16251	1.1
233.22707	1.4
239.23706	2.6
243.21089	9.8
257.24728	2.0
261.22159	34.7
279.23318	0.8
299.23730	0.9
313.27374	100.0
314.27783	2.8
317.24857	5.0
317.28070	1.0
335.25815	80.7
336.26007	2.5
336.57510	0.7
499.44940	1.4
573.48785	40.4
574.49133	1.9
591.49719	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	928.5988
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	83.9
69.03424	3.1
69.07072	31.7
71.05008	3.1
71.08663	2.1
71.22672	2.3
73.02912	6.7
79.05058	2.7
79.05495	39.0
81.07059	90.9
83.04993	2.9
83.08617	14.0
83.53522	2.5
83.68523	2.3
85.02910	26.5
85.06540	4.5
89.61564	2.5
91.03954	17.1
91.05468	27.5
93.07047	45.5
95.04981	2.4
95.08606	62.1
96.10399	2.0
97.02886	13.9
97.06525	4.7
97.10175	7.9
99.08104	2.7
103.35446	2.2
105.07027	18.1
107.08588	22.5
109.10155	26.9
111.08064	3.7
113.09717	2.7
117.06998	6.3
119.08578	17.2
121.10139	25.6
123.08049	2.2
123.11694	11.3
127.03915	7.2
131.08598	11.1
133.10153	18.8
135.11690	23.3
137.13315	6.4
145.04971	8.0
145.10114	7.4
147.11670	14.4
149.13261	14.2
149.36172	2.1
151.14825	3.7
159.11711	8.1
161.13272	11.4
163.05959	12.3
163.14801	5.2
165.36374	2.1
173.13292	7.1
175.14821	7.3
185.13194	2.7
187.14783	3.7
201.16559	2.8
215.17938	4.8
217.19504	10.6
226.42349	2.6
227.25758	2.4
233.18994	6.6
235.20580	6.9
243.21069	6.0
259.20599	7.7
261.22168	18.6
271.51141	2.1
273.05115	2.2
307.22675	6.4
309.24234	86.7
310.24374	4.1
311.25830	5.6
317.24609	5.7
333.24173	4.9
335.25821	100.0
337.27457	10.3
475.38535	2.5
495.41812	7.5
569.45697	37.9
587.46747	38.1
588.46838	3.2
657.92200	2.5
829.16241	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5834
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.3
67.05505	100.0
69.03422	5.7
69.07070	22.2
70.31400	1.1
71.04996	5.6
71.08598	2.1
73.02908	8.2
77.03896	1.2
79.05495	78.1
81.03436	2.9
81.07058	94.2
83.04973	2.6
83.08620	12.9
85.02905	32.3
85.06525	4.1
87.04466	1.5
91.03959	23.2
91.05479	48.4
93.07046	86.5
93.46214	1.2
95.04992	8.4
95.08607	73.0
97.02895	16.9
97.06516	6.3
97.10149	6.4
98.21092	6.7
99.04438	2.0
99.08094	3.8
103.05466	1.8
105.07031	38.8
107.08597	43.9
109.06519	2.7
109.10158	36.8
111.08081	2.2
113.09636	1.4
115.03940	1.5
117.07020	15.3
119.07781	2.1
119.08584	28.2
121.10146	42.2
123.08060	3.1
123.11702	14.9
125.09640	1.3
127.03924	9.9
129.06992	4.5
130.07755	1.9
131.08568	29.0
133.10127	32.6
135.11697	34.4
137.09608	2.4
137.13222	3.4
139.11101	1.2
141.07060	1.4
143.08598	6.0
145.04964	13.1
145.10117	23.7
147.07968	1.4
147.11687	22.2
149.09630	2.6
149.13261	18.9
151.11215	1.9
157.10126	5.9
159.11688	20.6
160.11195	3.1
161.13263	14.7
163.06018	12.1
163.11238	2.8
163.14784	5.2
169.10078	1.5
171.11638	6.9
172.79082	1.2
173.13274	17.0
175.14883	6.3
175.56044	1.4
177.12726	1.7
177.16373	2.3
179.14397	1.5
183.11674	1.8
185.13268	3.5
187.14853	7.7
189.16360	4.4
191.14455	1.5
199.14905	2.4
201.16339	2.5
203.17955	3.0
205.15797	1.4
205.19496	3.6
213.16406	9.0
215.17938	22.7
216.26407	1.3
217.19479	4.1
229.15881	2.1
229.19563	1.7
231.17502	11.1
233.18993	20.4
239.18050	1.5
241.19513	1.8
243.21126	5.6
245.18982	2.5
258.08932	2.2
259.20572	7.9
261.22131	17.9
271.20282	1.4
299.23526	2.4
301.25171	1.4
305.21130	5.0
307.22684	87.9
308.23047	2.3
309.24286	12.7
317.24646	3.9
333.24203	8.5
335.25812	95.9
336.26227	3.9
337.27258	10.8
381.31491	1.5
395.33130	1.6
441.89365	1.4
493.40457	6.8
511.41489	1.8
515.37030	2.0
567.36157	1.2
567.44049	26.8
585.45129	36.0
586.44952	1.9
638.32684	1.4
934.88287	1.5
959.51526	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.9
67.05508	56.1
69.03431	3.0
69.07072	9.3
70.64140	2.4
70.64508	1.9
71.04638	2.0
71.04996	20.2
73.02910	3.1
79.05496	30.8
81.03420	1.6
81.07061	84.8
83.04981	3.6
83.08628	6.2
85.02910	9.9
85.06536	6.6
90.36381	1.0
91.03955	5.2
91.05479	27.5
93.07050	39.7
95.04970	3.2
95.08612	25.9
97.02909	6.7
97.06538	5.7
97.10176	2.2
98.21031	1.9
99.08083	1.4
105.04537	1.3
105.07032	15.7
107.08598	19.8
107.50018	1.0
109.06508	2.1
109.10159	12.2
111.08113	3.2
117.07027	5.3
119.08592	9.6
121.10137	15.5
123.08080	1.9
123.11713	14.2
126.81600	1.0
127.03922	2.1
129.06955	1.8
131.08578	12.0
133.10135	19.0
135.11697	12.2
143.08537	1.5
145.04979	3.1
145.10147	4.9
147.11699	6.4
149.13261	7.5
151.11200	6.1
159.11670	5.9
161.13297	3.4
163.06023	2.9
163.14781	1.2
171.11740	1.2
173.13336	3.0
175.14795	1.3
177.12782	2.1
183.13800	2.7
185.13307	1.5
187.13309	3.2
187.14903	1.4
195.13739	2.4
199.14780	1.3
227.16406	2.7
239.10406	1.2
243.15919	1.5
253.17946	1.1
257.17441	1.7
259.20761	2.6
261.22226	2.0
269.17490	6.2
301.20111	17.8
324.39478	1.0
335.25858	19.4
360.39883	1.0
411.32809	2.2
445.24332	1.7
485.36319	5.2
503.37344	76.3
504.37537	3.1
511.37640	2.6
517.01355	1.1
517.38861	4.3
529.38965	31.5
530.39063	1.6
547.39532	1.2
561.41516	100.0
562.41687	4.0
647.39569	1.3
745.18536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	2.0
66.10161	0.7
67.05505	47.4
69.03424	2.1
69.07071	9.0
69.53601	0.7
71.04996	16.7
71.27791	0.7
73.02919	1.5
74.64378	0.8
79.05489	25.7
81.03429	2.5
81.07056	70.6
83.04979	3.2
83.08630	6.0
85.02908	8.8
85.06545	5.8
87.89760	0.8
91.03961	4.4
91.05482	21.0
91.06059	1.0
93.07044	29.0
95.04973	3.3
95.08604	20.1
97.02911	3.7
97.06541	3.1
97.10154	2.3
99.08108	0.8
104.34918	0.8
105.04500	0.9
105.07031	13.6
107.08594	18.6
109.06524	1.6
109.10155	11.5
111.08082	2.2
117.07018	5.0
119.08587	6.5
121.10146	12.8
123.08029	0.9
123.11697	10.8
125.09679	0.8
127.03921	2.2
131.08559	6.2
133.10117	15.3
135.11676	7.3
136.06197	1.0
143.08594	1.0
145.04979	2.3
145.10135	3.4
147.11711	3.5
149.09610	0.8
149.13248	5.5
151.11185	5.1
152.08870	0.9
153.12686	1.1
157.10130	0.9
159.11739	4.8
159.12851	0.8
161.13255	2.1
163.06068	1.9
173.13286	3.3
177.12775	2.6
183.13844	2.0
187.13319	2.0
187.14798	1.0
195.13893	1.8
201.14832	0.9
201.16556	1.0
257.17468	1.0
261.22183	2.4
269.17490	4.0
301.20071	12.2
335.25797	20.6
485.36429	2.2
503.37317	67.4
504.37595	2.5
517.39044	2.8
529.38855	15.0
561.41504	100.0
562.42047	5.3
705.13538	1.0
705.45557	2.1
920.49115	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	920.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.9
67.05510	46.8
69.03439	3.4
69.07067	13.6
69.82741	6.6
71.04984	4.9
73.02929	2.5
79.05499	34.3
81.03410	3.9
81.07060	38.9
83.04994	6.6
83.08617	8.8
85.02900	12.9
85.06531	2.4
87.35096	1.3
91.03974	8.7
91.04959	2.4
91.05484	30.3
93.07051	39.4
95.04964	9.4
95.08614	26.1
97.02894	9.3
97.06519	5.7
97.10166	6.0
98.20941	2.4
98.21501	2.0
99.04469	1.9
99.08068	1.8
105.07034	30.1
107.04964	4.7
107.08602	23.2
109.06506	5.0
109.10161	19.4
111.04447	3.3
111.08073	3.9
113.06003	1.4
117.07039	14.0
119.08589	22.2
121.10147	12.3
123.08067	4.8
123.11710	4.1
125.09613	3.1
127.03904	3.1
129.07011	8.4
131.08580	16.2
133.06516	1.7
133.10130	22.6
135.08044	3.8
135.11694	14.3
136.06265	1.4
137.09601	3.1
141.06998	1.9
142.07805	1.9
143.08565	9.0
145.05017	3.1
145.06470	3.1
145.10133	17.7
147.08040	3.8
147.11678	9.9
149.09595	5.9
149.13261	3.9
151.11162	4.6
155.08559	4.4
157.10152	8.7
157.51198	1.3
159.08025	2.1
159.11688	8.8
161.09631	4.5
161.13239	4.9
163.06071	3.0
163.11160	5.1
169.10135	3.0
171.08006	1.6
171.11684	6.6
173.09579	3.3
173.11830	2.1
173.13298	4.4
175.11183	2.7
175.14937	1.8
177.12839	1.8
181.10165	1.8
181.12244	1.8
183.11699	4.7
185.13232	4.3
187.11208	2.1
187.14828	3.1
189.12726	2.7
191.10669	2.6
193.12442	1.5
195.11836	2.2
197.13309	2.9
199.14816	3.5
203.14319	2.4
209.11682	9.6
209.13354	1.3
221.15129	1.4
223.14937	1.5
227.12769	3.9
227.16417	3.3
229.14333	6.3
253.14337	2.1
255.15826	2.4
259.20734	2.5
261.22211	1.7
273.22186	5.9
283.15363	15.3
283.20447	1.7
289.21771	3.0
297.22006	1.8
299.20328	2.8
301.16418	2.7
301.21573	4.3
313.21436	1.8
315.23199	10.2
317.21017	3.6
329.24548	1.6
331.22586	1.6
333.24252	2.3
335.25946	7.8
373.23688	4.8
375.25305	1.7
389.26584	3.4
415.29742	2.3
433.30981	5.4
451.32367	9.3
454.20230	1.5
469.33087	10.1
487.34000	6.0
515.36920	1.9
525.35791	24.3
543.36816	100.0
544.37042	3.8
561.29779	2.1
561.37915	34.1
705.41895	3.0
838.08307	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46777	0.1
68.99817	0.2
69.03426	1.5
70.06585	0.4
71.04990	0.4
71.57249	0.2
73.02914	0.5
77.03941	0.1
79.05503	0.9
79.59499	0.1
81.03416	1.5
83.04983	0.6
84.04507	0.1
84.08144	0.2
85.02911	2.2
87.67753	0.1
89.03918	5.9
91.03958	0.4
91.05441	0.1
95.04976	0.4
97.02898	0.8
99.04462	0.3
105.03387	0.2
107.04969	1.8
109.02900	0.6
111.00819	0.6
111.04424	0.4
117.03379	6.3
121.02863	2.8
127.03911	1.2
129.05470	0.4
130.06429	0.1
133.02835	0.4
135.04419	14.5
136.04770	0.1
137.02353	0.7
145.02847	11.8
146.03221	0.2
147.04424	0.9
149.06061	0.2
153.00682	0.2
153.01830	2.5
157.06516	0.3
163.03906	100.0
164.04221	1.3
165.01822	1.4
168.91388	0.1
171.04369	0.2
177.05505	1.0
181.04988	1.6
183.02859	0.6
185.05974	0.4
186.05513	0.4
197.06017	0.2
201.05602	0.2
204.72839	0.1
213.05489	1.1
219.06502	0.1
231.06552	0.6
241.04868	0.9
243.06581	0.1
258.05237	0.8
259.06012	0.4
273.07315	0.1
286.04651	0.2
287.05496	96.6
288.05792	1.9
289.05960	0.1
299.05469	0.2
303.04938	1.1
307.08112	2.1
325.09210	4.2
329.06610	0.4
413.09094	0.1
417.66953	0.1
431.09604	0.2
433.11313	3.9
449.10620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.2
68.99793	0.4
69.03434	1.2
70.06588	0.3
71.04980	0.3
73.02913	0.5
79.05488	1.0
81.03418	1.7
83.04974	0.8
84.08147	0.2
85.02903	2.9
87.04462	0.2
89.03915	6.8
91.03971	0.2
91.05473	0.6
95.04964	0.2
97.02908	1.0
99.04472	0.3
107.04955	2.1
109.02898	1.1
111.00798	0.5
111.04428	0.4
117.03380	6.8
119.04934	1.0
120.08057	0.1
121.02873	2.9
127.03904	1.3
129.05484	0.2
133.02844	0.5
135.04416	15.5
137.02347	0.9
145.02850	11.5
145.03812	0.3
145.04918	0.5
147.04407	4.6
147.79704	0.1
149.05937	0.1
153.01839	2.2
157.06512	0.4
161.05928	0.2
163.03902	100.0
164.04231	1.3
165.01822	1.4
171.02834	0.1
173.05975	0.1
173.87523	0.1
177.05458	0.7
181.04970	1.1
183.02892	0.5
185.05963	0.5
186.05490	0.4
187.03847	0.1
189.05464	0.2
197.05998	0.2
201.05490	0.1
202.01405	0.1
203.03397	0.1
203.07082	0.2
213.05394	1.0
231.06483	0.7
231.62000	0.1
241.04950	0.9
254.67570	0.1
257.04462	0.2
258.05219	0.7
259.05988	0.4
269.04218	0.1
273.07684	0.1
283.05966	0.2
287.05490	75.2
288.05801	1.7
299.05722	0.2
303.04956	2.2
307.08157	1.6
311.05261	0.1
325.09290	1.6
329.06573	0.4
433.11267	2.1
449.11029	0.2
874.66907	0.2
954.51837	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2501
Annotation	kaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-glucosyl-(1->2)-beta-D-glucoside
Peak:m/z	Relative Intensity
68.46777	0.1
68.99817	0.2
69.03426	1.5
70.06585	0.4
71.04990	0.4
71.57249	0.2
73.02914	0.5
77.03941	0.1
79.05503	0.9
79.59499	0.1
81.03416	1.5
83.04983	0.6
84.04507	0.1
84.08144	0.2
85.02911	2.2
87.67753	0.1
89.03918	5.9
91.03958	0.4
91.05441	0.1
95.04976	0.4
97.02898	0.8
99.04462	0.3
105.03387	0.2
107.04969	1.8
109.02900	0.6
111.00819	0.6
111.04424	0.4
117.03379	6.3
121.02863	2.8
127.03911	1.2
129.05470	0.4
130.06429	0.1
133.02835	0.4
135.04419	14.5
136.04770	0.1
137.02353	0.7
145.02847	11.8
146.03221	0.2
147.04424	0.9
149.06061	0.2
153.00682	0.2
153.01830	2.5
157.06516	0.3
163.03906	100.0
164.04221	1.3
165.01822	1.4
168.91388	0.1
171.04369	0.2
177.05505	1.0
181.04988	1.6
183.02859	0.6
185.05974	0.4
186.05513	0.4
197.06017	0.2
201.05602	0.2
204.72839	0.1
213.05489	1.1
219.06502	0.1
231.06552	0.6
241.04868	0.9
243.06581	0.1
258.05237	0.8
259.06012	0.4
273.07315	0.1
286.04651	0.2
287.05496	96.6
288.05792	1.9
289.05960	0.1
299.05469	0.2
303.04938	1.1
307.08112	2.1
325.09210	4.2
329.06610	0.4
413.09094	0.1
417.66953	0.1
431.09604	0.2
433.11313	3.9
449.10620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2498
Annotation	Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
68.99816	0.2
69.03423	1.1
69.68988	1.3
70.36578	0.2
71.04988	0.5
73.02893	0.2
79.05484	0.6
81.03417	2.8
83.04975	1.6
84.80811	0.2
85.02907	3.3
89.03917	4.8
91.05470	0.3
97.02879	0.7
98.20722	0.3
99.04438	0.4
105.03406	0.3
107.04939	1.7
109.02893	1.4
111.00796	0.4
111.04451	0.7
117.03384	5.6
119.04999	0.3
121.02871	1.9
127.03902	0.9
129.05473	0.6
135.04414	13.6
136.04764	0.3
137.02376	0.5
145.02844	10.7
146.03145	0.2
147.04382	2.3
153.01854	1.4
163.03905	100.0
164.04205	1.1
165.01855	0.6
181.04962	3.5
185.05951	0.3
193.04991	0.4
213.05423	0.7
231.06528	0.4
241.04942	0.6
258.05258	0.4
267.70593	0.2
287.05496	53.2
288.05862	1.1
291.08514	0.2
299.05518	0.3
303.05008	2.2
304.05237	0.2
307.08173	3.8
325.09186	4.3
329.06619	0.4
405.40207	0.2
414.54260	0.2
433.11209	0.8
626.31641	0.2
862.07819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.25
Annotation	kaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-glucosyl-(1->2)-beta-D-glucoside
Peak:m/z	Relative Intensity
65.03936	0.2
68.99799	0.3
69.03432	0.8
71.01322	0.1
71.04984	0.2
71.32317	0.1
73.02909	0.2
74.16476	0.1
74.93731	0.1
77.03930	0.1
79.05482	0.8
81.03418	2.4
83.04984	1.2
85.02417	0.1
85.02902	2.0
89.03915	5.0
91.03958	0.4
95.04958	0.2
97.02894	0.9
99.04444	0.3
105.03404	0.1
107.04954	1.8
109.02875	0.9
111.00799	0.3
111.04440	0.6
115.03883	0.1
117.03378	6.2
121.02873	1.7
127.03902	0.8
127.14040	0.1
129.05461	0.4
133.02846	0.2
135.04417	14.1
135.28732	0.1
136.04749	0.2
137.02361	0.4
141.46347	0.1
145.02844	10.8
147.04391	0.3
151.03886	0.1
153.01834	1.4
163.03903	100.0
164.04248	1.2
165.01793	0.7
171.03006	0.1
171.04472	0.1
177.05516	0.1
181.04964	4.0
183.02940	0.5
185.05997	0.3
186.05446	0.1
189.05403	0.1
213.05447	0.5
229.05113	0.1
231.06564	0.3
241.04982	0.6
241.07152	0.1
258.05267	0.5
259.06058	0.1
269.04233	0.1
273.07419	0.4
287.05493	47.8
288.05743	1.0
289.07071	0.1
291.08505	0.2
299.05383	0.2
307.08142	3.9
309.09641	0.1
311.05267	0.1
325.09183	4.7
329.06433	0.3
353.06531	0.2
433.11313	0.7
435.12738	0.2
449.10596	0.3
461.08945	0.1
734.01843	0.1
772.67499	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2707
Annotation	Kaempferol 3-ferulylrobinobioside-7-rhamnoside
Peak:m/z	Relative Intensity
68.99792	0.2
69.03429	0.6
70.06586	1.3
70.57448	0.3
70.57804	0.1
71.04990	6.1
71.06962	0.1
73.02923	0.2
75.04478	0.3
77.03940	0.1
78.04713	0.3
81.03404	1.0
83.04979	0.9
83.06119	0.3
84.04496	0.3
84.08133	0.7
85.02901	6.1
85.17524	0.1
86.09698	0.4
87.04486	0.2
89.03911	5.6
91.05471	0.3
95.04986	0.2
97.02909	0.2
99.04443	0.2
101.07134	0.1
102.05529	0.1
103.05478	0.2
106.04137	0.3
107.04977	0.2
109.02864	0.3
110.07155	1.3
111.00805	0.3
111.04432	0.6
112.55653	0.1
117.03374	17.6
120.08098	0.2
121.02869	1.6
121.06483	0.2
122.07127	0.1
124.05199	0.1
127.03899	0.5
127.08669	0.1
129.05457	1.3
129.10229	0.5
130.06468	0.2
131.04933	0.2
133.02887	0.3
134.03644	1.4
135.04424	1.4
137.02350	0.3
137.05972	0.1
145.02840	44.1
146.03186	0.7
147.04436	0.5
147.06490	0.2
149.05972	6.1
151.03860	0.2
153.01834	1.2
153.05443	0.2
157.06490	0.2
158.06049	0.2
159.09129	0.7
162.03139	0.2
163.03908	0.5
165.01849	0.6
167.09286	0.1
177.05461	100.0
178.05815	1.3
183.02798	0.2
185.05966	0.1
186.05472	0.9
189.05428	0.2
195.06520	1.0
197.05872	0.1
199.03745	0.1
201.05458	0.2
203.07118	0.1
206.83354	0.1
213.05446	0.4
218.15843	0.1
219.06441	0.3
226.15541	0.3
231.06487	0.4
239.09131	0.1
241.04955	0.4
243.06523	0.4
245.08173	0.2
258.05240	0.3
259.05911	0.2
269.08005	0.2
287.05484	41.1
288.05804	0.8
293.12262	0.2
299.05566	0.5
300.06284	0.2
302.11380	0.1
305.10178	0.2
311.05267	0.1
321.09698	1.3
323.11224	0.2
329.06403	0.8
339.04898	0.2
339.06122	0.1
339.10742	2.0
353.06525	0.3
379.08191	0.3
382.12808	0.1
397.09421	0.6
415.10059	0.4
433.11304	2.1
680.38654	0.3
680.89105	0.4
815.88715	0.2
852.43372	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	905.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02382	0.4
65.27576	0.1
68.99789	0.2
69.03424	0.8
71.04978	0.1
71.31618	0.1
71.31961	0.2
73.02921	2.1
79.05504	0.8
81.03417	2.6
83.04982	1.3
85.02903	1.2
89.03911	4.8
93.03390	0.1
95.04960	0.2
97.02898	0.9
99.04457	0.3
102.42336	0.1
107.04948	1.6
109.02885	1.1
111.00804	0.4
111.04443	0.7
115.03890	0.3
117.03378	5.5
121.02847	0.5
123.04408	0.2
127.03927	0.6
129.05467	0.4
135.04419	13.7
137.02353	1.8
145.02847	9.9
145.03787	0.2
145.04750	0.2
147.04340	0.1
149.02373	0.2
153.01825	1.2
163.03905	100.0
164.04242	1.2
165.01787	0.7
166.02557	0.1
171.02956	0.1
177.05487	0.1
181.04959	4.4
183.02838	0.3
186.05457	0.2
187.03874	0.2
195.02962	0.1
201.05450	0.5
229.05002	1.5
237.45477	0.1
247.06003	0.3
257.04486	1.1
271.05984	0.1
273.07462	0.4
274.04678	0.3
277.07083	0.4
281.99216	0.1
285.03851	0.4
287.05481	1.0
288.05737	0.4
291.08521	0.2
295.08130	0.5
303.04993	37.0
304.05353	0.8
307.08133	4.0
308.08417	0.1
315.05042	0.6
325.09192	4.8
327.04849	0.2
345.06070	0.6
353.06564	0.2
368.37421	0.1
369.05930	0.4
379.03162	0.1
381.06198	0.1
399.07236	0.6
413.08676	0.2
417.07993	0.2
431.09937	0.2
435.08652	1.3
449.10693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2708
Annotation	Kaempferol 3-ferulylrobinobioside-7-rhamnoside
Peak:m/z	Relative Intensity
64.07727	0.1
65.03946	0.1
65.24289	0.1
68.99791	0.1
69.03107	0.1
69.03429	1.0
71.01357	0.2
71.04993	4.4
72.82922	0.1
73.02914	0.2
73.94934	0.1
78.04719	0.2
79.01870	0.1
79.05525	0.1
81.03414	2.4
83.04981	1.5
83.65046	0.1
85.02902	5.5
87.04451	0.1
87.56724	0.1
89.03915	4.5
91.05474	0.3
93.07054	0.1
95.04984	0.2
97.02874	0.4
99.04446	0.3
99.32307	0.1
103.05472	0.2
105.03439	0.1
106.04178	0.2
107.04960	0.1
109.02872	1.0
111.00871	0.1
111.04452	0.9
113.05995	0.1
117.03380	13.2
118.03673	0.1
119.04957	0.2
121.02864	1.1
121.06483	0.1
124.05234	0.1
127.03878	0.5
129.04550	0.1
129.05479	1.2
133.02818	0.2
134.03618	1.1
135.04425	1.1
137.02348	0.2
137.06003	0.3
144.76114	0.1
145.02843	42.4
146.03171	0.4
147.04370	0.2
147.06512	0.2
149.05980	5.2
151.03851	0.1
153.01834	0.7
153.05536	0.1
157.06479	0.1
158.06076	0.1
161.06004	0.1
162.03125	0.2
163.03923	0.5
165.01862	0.4
171.04321	0.1
177.05464	100.0
178.05815	1.3
179.07138	0.1
183.02931	0.3
183.08112	0.1
185.05986	0.1
186.05464	0.7
189.05415	0.2
191.07065	0.1
195.06506	1.6
207.06572	0.1
213.05432	0.3
217.05142	0.1
219.06517	0.1
231.06505	0.2
241.04942	0.3
241.08684	0.1
243.10182	0.1
258.05258	0.3
259.06049	0.1
259.09680	0.1
269.08408	0.1
279.08664	0.1
286.04486	0.1
287.05493	26.5
288.05777	0.3
299.05573	0.6
300.06339	0.1
303.05109	0.1
305.10175	0.5
311.05490	0.2
313.06903	0.1
321.09689	3.5
323.11212	0.3
329.06519	1.0
337.06949	0.1
339.10739	5.8
340.11041	0.2
353.06561	0.4
355.10437	0.1
379.08066	0.3
397.09045	0.7
415.10202	0.4
421.09177	0.1
431.13159	0.1
433.11316	1.4
449.14294	0.3
469.37839	0.1
485.16449	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	903.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02354	0.5
63.28309	0.1
68.99795	0.2
69.03425	0.8
70.03156	0.4
71.04992	0.3
73.02541	0.2
73.02917	1.9
78.04714	0.3
81.03419	2.7
83.04979	1.7
85.02905	1.5
89.03915	5.4
91.05476	0.4
95.04980	0.2
97.02911	0.5
98.21158	0.2
99.04465	0.2
103.05466	0.2
105.03371	0.2
106.04171	0.4
107.04965	0.2
109.02878	1.0
111.00817	0.2
111.04465	0.5
115.03895	0.2
117.03380	14.6
118.03737	0.2
119.04949	0.2
121.02873	1.8
124.05196	0.2
127.03893	0.6
129.04529	0.1
129.05479	0.4
133.02834	0.2
134.03638	1.2
135.04439	1.3
137.02339	0.4
137.06046	0.1
145.02844	44.0
146.03183	0.5
147.04419	0.4
149.05981	5.4
153.01831	1.4
157.06491	0.1
158.06004	0.2
161.06023	0.2
162.03157	0.2
163.03899	3.4
165.01846	0.9
171.04391	0.1
177.05469	100.0
178.05795	1.3
181.04955	0.1
183.02892	0.3
185.05894	0.2
186.05437	0.6
189.05403	0.1
191.07112	0.1
195.06525	1.7
213.05406	0.5
231.06566	0.3
239.59413	0.1
241.04962	0.4
258.05322	0.5
259.06082	0.2
287.05499	45.1
288.05774	0.8
291.08624	0.3
299.05621	0.6
305.10117	0.2
307.08017	0.1
309.09641	0.3
311.05469	0.1
313.07196	0.2
321.09705	4.3
323.11395	0.1
329.06543	0.4
339.10745	6.3
341.06543	0.1
353.06500	0.4
353.94427	0.1
355.10062	0.1
365.06674	0.2
383.07727	0.6
397.08896	0.1
401.08652	0.3
415.09955	0.1
419.09714	1.4
431.13602	0.2
433.11197	0.4
449.14221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2553
Annotation	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
63.02361	0.5
65.03931	0.2
68.99805	0.2
69.03435	0.5
69.78204	0.2
69.78605	0.3
71.04991	6.2
73.02904	0.1
75.04488	0.3
79.05489	0.8
79.40514	0.1
81.03418	1.3
83.04984	1.4
85.02900	7.7
87.04475	0.2
89.03912	5.5
91.05468	0.3
95.04964	0.4
97.02875	0.2
98.21036	0.2
99.04469	0.2
107.04958	1.8
107.05617	0.2
108.86613	0.1
109.02879	0.6
109.06540	0.1
111.00800	0.3
111.04433	0.9
117.03377	6.9
119.04917	0.5
121.02863	1.9
123.04455	0.1
127.03883	0.7
129.04492	0.1
129.05469	1.8
129.06976	0.1
131.04994	0.1
133.02812	0.2
135.04411	16.0
136.04747	0.1
137.02348	0.4
145.02838	11.4
146.03178	0.2
147.04402	2.1
147.06393	0.4
149.05966	0.2
151.03903	0.1
153.01826	1.5
153.05399	0.1
157.06447	0.2
163.03897	100.0
164.04222	1.3
165.01793	0.6
165.05545	0.1
171.02968	0.2
171.04430	0.1
177.05528	0.4
181.04941	1.2
183.02872	0.4
185.05962	0.3
186.05493	0.2
187.03935	0.2
197.06149	0.1
203.07076	0.2
205.05022	0.2
213.05450	0.6
229.04941	0.2
231.06406	0.5
239.09166	0.3
241.04942	0.5
255.06419	0.2
257.10199	0.2
258.05231	0.4
259.06006	0.2
273.07361	0.4
275.11163	0.2
287.05481	52.1
288.05856	1.4
291.08551	0.3
293.12329	0.1
299.05493	0.3
303.04935	0.1
306.28226	0.1
307.08084	1.2
309.09692	0.4
311.05551	0.2
325.09265	1.3
329.06564	0.8
334.19644	0.1
341.08820	0.2
351.08453	0.1
353.06564	0.2
379.07980	0.2
397.09277	0.5
415.10068	0.4
433.11285	2.3
435.12534	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	902.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04280	0.9
65.03931	1.4
67.05508	34.8
69.03425	1.4
69.07066	8.2
71.04991	2.6
71.58955	1.0
79.05494	30.2
79.72400	0.9
81.03416	3.7
81.07057	32.4
82.36586	1.2
83.04989	2.5
83.08618	6.9
85.02916	2.5
85.06519	1.4
91.03982	1.3
91.05481	12.7
93.07050	41.2
95.04986	5.6
95.08607	39.2
97.02896	4.1
97.06543	3.3
97.10213	1.9
99.04443	2.7
104.56155	1.1
105.07024	10.1
107.04952	6.2
107.08595	27.4
109.06540	1.3
109.10150	9.4
117.07020	6.2
119.08571	9.4
121.06516	3.0
121.10157	14.2
123.11723	2.9
125.06013	2.0
125.09656	1.2
130.07753	1.7
131.08578	3.1
133.10144	5.4
135.08070	1.5
135.10675	1.8
135.11699	34.4
136.06204	11.4
139.07556	2.6
143.08521	1.5
145.10127	22.4
147.11676	1.9
149.13208	1.6
156.73322	1.2
159.11787	1.6
161.13297	1.7
163.11179	38.8
163.14835	1.2
173.13235	1.2
181.12242	7.3
227.12790	48.4
243.21141	3.0
261.22153	8.2
283.15405	52.7
284.15677	1.3
298.04654	1.2
313.27512	1.9
317.25110	2.2
335.25803	100.0
336.26105	2.8
374.09494	1.0
475.03043	1.0
543.36816	95.7
544.36993	4.3
646.25873	1.1
676.46198	4.0
787.38068	1.0
892.16852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2545
Annotation	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
63.02375	0.2
68.99810	0.3
69.03426	0.9
70.14344	0.4
70.14737	0.4
71.04994	5.4
73.02933	0.2
75.04501	0.2
79.05489	0.7
81.03419	2.4
83.04987	1.6
84.03934	0.2
85.02909	6.0
87.04457	0.2
89.03916	5.1
91.05490	0.3
95.04965	0.2
97.02888	0.7
99.04446	0.3
107.04968	1.5
109.02879	1.1
111.00803	0.3
111.04430	1.1
117.03384	6.0
119.04921	0.9
120.07343	0.1
121.02855	1.4
127.03905	0.8
127.67610	0.2
129.05482	1.7
133.02858	0.2
135.04417	14.0
137.02429	0.2
145.02846	11.1
147.04404	4.3
147.06429	0.3
153.01857	1.2
157.38411	0.2
163.03903	100.0
164.04233	1.7
165.01833	0.6
165.05473	0.3
167.96684	0.2
171.04330	0.2
177.05513	0.2
181.04962	5.1
181.06519	0.4
181.18591	0.2
213.05336	0.3
231.06511	0.3
239.09030	0.3
254.39780	0.2
259.05972	0.2
269.04691	0.2
273.07568	0.4
287.05496	30.6
288.05801	0.8
291.08511	0.8
299.05582	0.5
307.08121	4.2
309.09702	0.7
311.05435	0.2
325.09213	4.9
329.06387	1.0
353.06143	0.3
397.09152	0.9
415.10168	0.5
433.11267	2.0
435.12939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.3
67.05505	49.9
67.81387	1.1
69.03413	3.4
69.07074	11.1
69.33162	6.5
69.33588	4.7
71.04985	3.0
73.02898	5.0
79.05492	46.8
79.05955	2.4
81.03428	1.8
81.07056	46.7
82.07294	1.0
82.83765	1.0
83.04973	1.7
83.08620	6.1
85.02066	1.2
85.02909	19.0
85.06519	4.0
91.03960	13.3
91.05478	29.5
93.06473	2.7
93.07047	50.5
93.99779	1.2
95.04946	4.7
95.08610	37.2
97.02896	10.3
97.06522	2.3
97.10178	2.6
99.08094	2.5
101.06010	1.2
104.62073	1.1
105.04542	1.2
105.07037	20.5
107.08591	19.5
109.10156	19.9
111.08054	2.4
113.09614	2.0
115.03899	1.4
117.07003	8.0
119.08574	16.2
121.10146	28.3
123.08089	1.5
123.11707	7.5
126.83511	1.2
127.03917	5.2
129.06995	4.7
130.07751	1.5
131.08551	13.8
133.09117	1.2
133.10139	21.9
135.11691	22.8
137.13226	2.9
143.08578	2.7
145.04959	6.7
145.10112	13.7
147.11688	15.1
147.30290	1.1
149.09634	2.1
149.13269	9.5
157.10095	4.1
159.11662	10.2
161.13205	2.9
163.05971	9.2
163.11122	2.2
163.14828	1.6
166.64058	1.2
169.10196	2.2
171.11641	4.9
173.13327	6.1
175.14761	2.7
177.12704	2.3
178.16696	1.2
183.11624	2.0
185.13263	2.2
187.14792	4.2
189.16423	2.3
199.14786	2.1
203.17914	2.5
205.15944	1.3
205.19487	2.4
207.87769	1.1
211.14873	1.5
212.91943	1.2
213.16376	9.2
215.17963	24.2
217.19551	1.6
229.19460	1.6
231.17421	9.2
233.19023	18.2
235.20673	1.4
271.20544	1.9
289.21710	1.6
305.21143	5.7
307.22665	100.0
308.23172	2.7
309.24225	9.0
409.86353	1.4
465.37289	2.7
539.40955	15.5
557.42108	15.9
711.65784	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	29.5
69.07084	6.1
71.05038	2.4
72.91258	2.0
75.97160	2.2
79.05484	23.5
81.03416	4.1
81.07065	23.2
83.08625	4.0
91.05480	29.2
92.32243	2.4
93.07060	20.0
95.04967	5.3
95.08594	16.8
97.06544	4.1
97.10168	3.9
98.21124	15.4
105.07045	21.9
107.04980	2.6
107.08591	8.3
109.10162	9.1
115.05482	2.5
117.07028	17.5
119.08593	16.0
121.06526	5.1
121.10134	7.7
125.09636	3.5
128.06239	2.7
129.07042	17.3
131.08575	20.5
133.10143	8.3
135.11713	4.3
141.06989	9.6
143.08548	15.1
145.06476	5.5
145.10104	12.9
147.04520	2.6
147.08067	3.4
147.11716	3.8
149.13226	3.2
155.08574	13.2
157.10152	11.5
159.11705	12.4
161.09607	3.3
167.08530	6.5
169.10152	11.3
171.08064	2.6
171.11707	11.2
173.09665	3.0
173.13155	2.8
175.11238	3.5
177.09172	2.5
179.08612	4.4
181.10133	6.0
183.08075	4.5
183.11694	9.8
185.09648	7.3
185.13246	5.5
187.11192	8.9
193.10133	4.1
195.11703	6.2
197.09668	5.8
197.13266	5.1
201.12672	3.6
207.11841	5.4
209.13345	3.9
211.11156	10.0
211.14917	2.9
213.12816	4.5
221.13338	2.9
225.12645	3.3
295.20575	6.1
305.19025	4.8
313.21674	10.6
313.24960	2.9
322.37302	2.8
323.20047	22.7
341.21094	16.1
359.22211	4.5
397.23572	7.7
415.24850	100.0
416.25006	2.7
433.25894	58.8
443.27728	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	889.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14476	0.1
63.02382	0.5
65.03384	0.1
68.99792	0.2
69.03423	0.6
69.63018	0.3
69.63435	0.5
70.06594	0.2
71.04985	0.3
71.46941	0.1
73.02556	0.2
73.02924	2.1
79.05487	0.9
81.03428	1.3
83.05010	0.6
83.05476	0.1
85.02914	1.0
89.03921	6.3
91.05498	0.2
95.04935	0.2
97.02885	0.5
98.21322	0.3
105.03403	0.3
107.04951	2.0
107.05611	0.2
108.97440	0.1
109.02887	0.6
111.00805	0.3
111.04452	0.3
115.03934	0.4
117.03384	6.6
118.03698	0.1
119.04901	0.2
121.02873	1.9
126.94520	0.1
127.03858	0.7
129.05453	0.4
129.10213	0.1
133.02882	0.1
133.71640	0.1
135.04422	14.5
136.04816	0.2
137.02332	0.5
145.02850	10.5
147.04434	1.1
153.01837	1.9
157.06439	0.2
163.03909	100.0
164.04193	1.2
165.01859	0.8
175.03958	0.1
177.05502	0.2
181.04974	1.4
183.02878	0.4
185.05930	0.3
186.05449	0.3
189.05515	0.2
197.06010	0.2
205.05023	0.2
213.05463	0.7
217.08578	0.1
219.06691	0.1
231.06506	0.6
241.05016	0.6
258.05298	0.5
259.06009	0.2
273.07501	0.2
277.06979	0.2
287.05502	61.5
288.05829	1.2
295.08182	0.2
299.05533	0.5
307.08148	1.5
325.09344	1.5
329.06659	0.6
353.06396	0.4
383.07565	0.6
401.08627	0.4
419.09656	1.4
433.11325	1.8
494.25705	0.1
686.58862	0.1
871.80762	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	889.2387
Annotation	Kaempferol 3-apioside-7-rhamnosyl-(1->6)-(2''-(E)-caffeoylglactoside)
Peak:m/z	Relative Intensity
63.02361	0.2
68.99795	0.2
69.03423	0.7
69.56821	0.9
69.57241	0.5
73.02912	2.1
79.05487	0.6
81.03422	2.4
83.04976	1.2
85.02892	1.1
89.03913	4.2
95.04966	0.5
97.02879	0.7
98.21322	0.5
104.53358	0.2
107.04950	1.3
109.02880	1.0
111.04444	0.8
115.03926	0.4
117.03370	5.1
121.02843	1.4
122.59254	0.2
127.03904	0.7
129.05478	0.4
135.04413	12.0
137.02283	0.2
145.02853	9.2
147.04306	0.2
153.01811	0.9
163.03900	100.0
164.04233	1.4
165.01787	0.4
181.04950	4.8
183.02905	0.4
185.05896	0.2
213.05444	0.5
231.06454	0.4
241.04976	0.4
258.05212	0.4
259.05829	0.3
273.07608	0.4
277.07013	0.3
287.05490	45.6
288.05728	1.1
289.06400	0.2
295.08118	0.3
299.05453	0.3
307.08081	4.0
325.09210	5.7
329.06445	0.4
353.06686	0.4
365.06366	0.3
383.07623	0.5
419.09827	1.5
420.08405	0.2
433.11371	0.8
435.12769	0.3
611.12714	0.2
748.48883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2599
Annotation	Kaempferol 3-rhamnosyl-(1->3)(4'''-p-coumarylrhamnosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
62.19745	0.1
63.02357	0.2
65.03939	1.2
68.99807	0.2
69.03432	0.5
70.06582	0.2
70.88156	0.3
71.04996	5.2
73.02907	0.2
75.04501	0.1
81.03426	0.8
83.04984	1.0
84.08143	0.4
85.02908	6.3
87.04464	0.2
91.05483	9.1
92.05816	0.2
97.02910	0.3
98.20953	0.1
98.87954	0.1
99.04469	0.1
105.03416	0.1
107.04977	0.2
109.02868	0.4
109.04560	0.1
111.00816	0.2
111.03804	0.1
111.04442	0.7
115.05475	0.1
119.04947	20.8
120.05239	0.1
121.02871	1.4
127.03910	0.3
129.05482	1.5
129.10274	0.1
130.06552	0.2
137.02327	0.3
147.04414	100.0
148.04749	1.3
151.03952	0.1
153.01811	1.0
153.05470	0.2
157.06500	0.3
165.01801	0.6
165.05475	1.3
171.04410	0.2
183.02934	0.3
185.06081	0.1
189.05487	0.2
197.06015	0.1
201.05486	0.2
213.05513	0.5
215.07158	0.1
228.05847	0.1
231.06586	0.3
239.06902	0.2
239.09152	0.3
241.05000	0.4
257.07983	0.2
258.05212	0.2
259.05997	0.2
275.09174	0.5
287.05502	37.0
288.05847	0.7
291.08575	0.8
293.10168	0.5
299.05569	0.3
309.03732	0.2
309.09738	1.1
311.05466	0.2
329.06537	0.7
353.06494	0.3
397.09409	0.5
415.10098	0.4
433.11404	1.7
455.09595	0.2
527.65057	0.1
641.94470	0.1
920.07739	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	873.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.3
63.02351	0.1
65.03929	1.3
68.99787	0.2
69.03426	0.6
70.06577	0.4
71.01349	0.1
71.05001	0.1
71.19102	0.2
73.02914	2.0
74.47759	0.1
75.02307	0.1
81.03415	1.1
83.04992	0.5
84.08134	0.1
85.02902	0.5
86.09712	0.2
91.05477	10.2
92.05772	0.2
95.04997	0.1
97.02908	0.4
97.42872	0.1
105.03395	0.1
107.04990	0.2
109.02859	0.4
111.00790	0.4
111.04451	0.2
115.03929	0.3
119.04939	22.0
120.05268	0.3
121.02876	1.8
127.03909	0.4
129.05507	0.1
129.10313	0.1
131.04921	0.1
131.07120	0.1
133.02806	0.2
137.02328	0.4
137.05933	0.1
144.67615	0.1
145.02885	0.1
147.04404	100.0
148.04736	1.3
151.04007	0.1
153.01813	1.3
154.76668	0.1
157.06451	0.2
161.05923	0.1
163.03877	0.2
165.01888	0.6
165.05469	1.0
171.03049	0.1
171.04427	0.2
173.06056	0.1
183.02893	0.4
185.05986	0.2
189.05420	0.1
197.05898	0.2
201.05441	0.1
213.05437	0.7
225.05629	0.1
231.06560	0.3
241.04872	0.5
243.06535	0.1
245.04541	0.1
257.08057	0.2
258.05222	0.5
259.05917	0.2
261.07455	0.3
269.04428	0.1
275.08987	0.1
279.08771	0.2
284.06418	0.1
286.04471	0.1
287.05481	47.1
288.05804	1.1
291.08606	1.1
293.09940	0.1
293.82495	0.1
299.05484	0.4
300.06082	0.1
309.09726	1.0
311.05457	0.1
329.06650	0.6
337.06943	0.1
353.06342	0.3
365.06653	0.1
383.07526	0.6
401.08395	0.4
417.49478	0.1
419.09637	1.2
433.11273	1.2
504.63202	0.1
682.54401	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	887.2604
Annotation	Kaempferol 3-rhamnosyl-(1->3)(4'''-p-coumarylrhamnosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
63.83474	0.1
65.03928	1.0
68.99804	0.2
69.03429	0.8
70.06584	0.4
70.52194	0.3
71.04994	4.7
73.02927	0.1
75.04472	0.2
81.03421	2.5
83.04983	1.5
84.08128	0.3
85.02905	5.9
86.09701	0.2
87.04462	0.2
91.05480	6.6
97.02882	0.6
99.04452	0.4
105.03401	0.1
106.31886	0.1
107.04959	0.4
109.02882	1.0
111.00790	0.2
111.04470	1.0
119.04945	18.1
120.05289	0.2
121.02856	1.3
127.03920	0.6
129.05489	1.2
129.10164	0.1
133.02853	0.3
137.02327	0.2
137.05925	0.1
145.02858	0.1
147.04410	100.0
148.04733	1.1
151.03935	0.3
153.01830	0.9
153.05428	0.2
163.03922	0.6
165.01825	0.3
165.05484	5.9
179.03407	0.5
183.02953	0.2
185.05956	0.3
213.05446	0.3
231.06604	0.2
239.09105	0.2
241.04993	0.2
257.08084	0.3
258.05472	0.2
275.08893	0.6
278.38940	0.1
287.05496	25.3
288.05792	0.6
291.08636	3.6
293.09976	0.2
299.05469	0.6
300.06149	0.1
307.08109	0.2
309.09698	4.9
311.05386	0.2
317.44278	0.1
325.06863	0.2
329.06598	1.1
351.08517	0.1
353.06461	0.4
379.08078	0.2
397.09256	0.8
415.10251	0.4
419.13297	0.3
433.06107	0.2
433.11359	1.6
447.07001	0.2
502.91388	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	873.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	0.2
63.02375	0.1
65.03934	1.1
68.92743	0.1
68.99789	0.2
69.03430	0.8
70.06590	0.1
70.93295	0.1
70.93626	0.1
71.01345	0.1
71.04997	0.2
73.02921	2.0
81.02970	0.2
81.03422	2.3
83.04981	1.2
84.08165	0.1
85.02901	1.2
88.88481	0.1
91.05481	7.9
95.05000	0.2
97.02890	0.6
98.21049	0.1
99.04463	0.3
105.03375	0.1
107.05000	0.2
109.02878	1.1
110.61270	0.1
111.00788	0.2
111.04464	0.7
115.03928	0.3
119.04945	20.0
120.05299	0.3
121.02866	1.7
127.03918	0.5
129.05501	0.2
133.02824	0.3
137.02354	0.3
145.06441	0.1
147.04410	100.0
148.04736	1.2
151.03899	0.1
153.01828	1.3
157.06499	0.1
164.71408	0.1
165.01857	0.6
165.05479	5.3
166.05905	0.1
183.02907	0.3
185.05954	0.2
201.05498	0.2
213.05447	0.4
213.09157	0.1
231.06548	0.3
241.04994	0.4
257.08008	0.3
258.05145	0.4
259.05914	0.2
261.07553	0.4
269.04550	0.1
279.08652	0.2
287.05499	37.4
288.05838	0.8
291.08627	3.8
292.08975	0.1
293.10287	0.1
299.05545	0.5
309.09683	4.9
313.06915	0.2
329.06470	0.4
341.06699	0.1
353.06448	0.4
365.06485	0.1
379.08020	0.1
383.07806	0.5
397.09119	0.1
401.08499	0.3
419.09268	0.9
433.11337	0.4
511.12048	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	871.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99556	1.3
65.03934	1.4
67.05513	19.4
67.37178	1.2
69.07085	6.6
70.95872	5.0
71.08633	10.3
71.21124	2.1
71.21461	1.7
71.93001	1.6
72.93793	21.3
74.95355	1.4
79.05492	11.5
81.03413	6.0
81.07061	18.5
83.08628	5.4
85.10190	5.6
88.96896	3.4
90.94820	18.0
91.05488	5.4
93.07047	10.1
95.04938	1.6
95.08612	19.2
97.10153	3.0
105.07040	4.5
107.08598	5.7
108.95873	5.3
109.10159	7.7
113.96410	2.8
116.96389	5.4
119.08581	3.5
121.10150	4.7
123.11723	3.1
124.40540	1.5
126.98431	3.9
128.96365	8.2
130.97948	3.4
132.95836	22.8
134.97424	4.5
135.11655	1.9
136.95381	1.7
138.98491	2.2
140.96387	2.1
142.97914	1.7
144.95859	9.5
144.99464	5.5
146.97365	13.1
148.98979	4.3
149.00491	2.2
150.96930	12.4
151.97705	1.6
155.97469	3.0
156.95828	5.4
158.97446	12.6
160.95340	2.3
162.96889	10.2
164.97107	2.8
164.98480	43.5
166.97919	2.3
169.99010	1.9
170.97388	10.3
172.95253	4.1
172.98973	3.7
174.96899	4.1
176.98491	8.6
178.97937	3.4
182.97408	4.8
184.98949	4.9
186.96870	1.8
188.00064	3.8
188.98433	9.8
189.03636	1.6
190.96365	2.2
192.99454	1.8
195.37219	1.4
196.92024	2.6
196.98997	2.9
198.96892	50.0
199.00609	2.4
200.98451	7.9
203.00047	3.7
206.99493	8.5
213.03741	2.3
214.93025	8.2
215.00056	2.3
216.97937	12.7
218.99554	7.3
223.04291	1.9
224.98439	1.8
230.99454	8.7
233.01100	16.0
239.99574	5.0
240.94655	1.9
241.05167	1.8
245.01118	2.8
254.99570	1.8
255.06627	2.0
257.24799	1.8
262.93073	29.1
270.95624	9.3
273.00647	5.4
279.08218	2.4
280.94196	17.1
281.09879	4.7
283.25595	1.8
285.94635	3.2
294.95605	4.0
298.95203	26.4
298.98087	1.2
305.12344	1.7
311.16690	1.9
312.96774	7.3
313.27368	64.0
314.27783	3.2
316.96323	1.9
317.18127	2.1
318.95700	2.2
321.96768	5.0
327.16193	2.6
329.11996	5.4
329.17725	10.9
331.13422	12.8
333.15112	100.0
334.15411	3.8
335.25800	42.5
336.96725	13.7
347.18863	6.6
354.97882	16.1
372.98880	34.4
385.20218	4.1
396.00455	3.4
407.18726	16.6
414.01413	4.6
449.19791	5.2
471.24673	2.2
520.56219	1.5
541.15442	2.1
551.19476	1.7
555.17169	3.1
573.49017	6.9
575.19861	1.9
593.20819	11.6
593.46729	1.9
597.18030	2.7
611.21863	81.7
612.22101	2.9
615.19147	43.9
616.19452	2.7
633.20239	40.9
645.41022	2.8
652.24792	8.4
871.45679	8.4
874.78699	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49514	2.3
65.03938	2.8
67.05164	3.4
67.05502	43.9
67.06043	2.3
69.03417	6.0
69.07057	9.7
71.04993	3.8
79.05493	45.4
81.03402	6.5
81.07055	47.2
83.04982	4.2
83.08632	5.4
85.02905	6.4
91.05475	48.2
91.46445	2.2
93.07048	46.8
95.04964	8.5
95.08609	29.4
97.02901	3.9
97.06548	5.1
97.10126	2.6
97.54742	2.4
105.04528	2.4
105.07026	30.4
107.04972	4.1
107.08591	20.4
109.02865	3.8
109.06510	3.8
109.10159	13.5
111.08044	3.7
115.05486	6.9
117.07004	27.3
119.08574	26.4
121.06431	2.7
121.10146	22.1
123.08077	4.9
123.11681	3.5
127.03951	3.9
128.06235	7.8
129.07005	21.7
131.08562	28.2
133.06493	3.4
133.10138	15.8
135.08058	5.8
135.11662	7.5
137.09653	4.8
141.06969	14.5
142.07849	4.7
143.08589	16.9
145.06483	8.4
145.10120	24.5
147.08015	6.4
147.11652	7.0
149.09654	3.9
149.13245	6.8
153.06924	3.9
154.07816	3.0
155.08533	16.2
157.10126	15.5
159.08084	3.1
159.11674	15.9
161.09604	5.7
161.13176	4.2
165.06970	2.9
167.08582	8.0
169.10107	13.1
171.11705	16.1
173.09636	9.0
173.13187	8.5
175.11290	2.8
177.12683	3.3
179.08524	3.8
181.10085	10.8
183.11664	12.4
185.09587	8.7
185.13268	10.0
187.11223	7.3
193.10091	3.9
195.11723	8.2
197.09618	7.1
197.13327	6.4
199.11174	6.5
201.12744	4.0
203.14407	2.8
205.35521	2.6
207.11647	3.5
211.11264	5.9
211.14825	4.7
221.13268	5.2
225.12738	2.9
261.22119	8.8
277.19418	5.8
287.17957	4.9
295.20572	9.5
305.19037	5.6
313.21613	16.1
323.19958	27.9
335.25989	6.0
341.21030	23.0
344.90701	2.6
359.22162	5.9
369.24475	2.8
397.23447	4.6
415.24811	100.0
416.24933	4.3
433.25882	28.8
676.84088	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	855.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46236	0.2
67.05507	3.1
67.53596	0.3
67.72993	0.2
69.03397	0.6
69.07056	0.5
69.67893	0.2
71.04984	0.7
71.57906	0.4
79.05501	3.8
79.15849	0.3
81.03407	0.6
81.07066	3.4
83.08633	0.4
85.02894	1.3
88.20313	0.3
91.05481	2.0
93.06540	0.3
93.07048	3.4
95.04938	0.4
95.08611	2.1
97.02872	0.5
97.72617	0.2
105.07018	1.7
107.08595	1.9
109.02814	0.3
109.10156	0.7
117.07027	0.6
119.08568	1.4
121.02864	1.8
121.10133	1.3
127.03928	0.4
129.07021	0.3
131.08528	1.1
133.02843	0.5
133.10112	1.0
135.11710	1.0
137.02356	0.4
145.10107	1.0
147.11684	0.3
148.33528	0.2
149.13229	0.5
153.01842	2.2
157.10162	0.3
159.11646	0.5
163.14815	0.3
165.01892	1.3
173.13304	0.5
183.02930	0.5
185.05974	0.3
197.13278	0.2
213.05524	0.9
216.17545	0.3
221.85855	0.3
223.63669	0.3
231.06630	0.4
241.04997	0.9
243.21085	0.4
258.05212	0.6
259.06113	0.3
260.87314	0.2
261.22186	1.0
287.05499	100.0
288.05875	2.2
346.99835	0.3
433.11328	6.1
442.88760	0.2
629.81146	0.3
780.92950	0.3
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
59.05003	3.7
61.02927	10.3
64.58961	0.5
65.03937	2.9
67.05505	100.0
68.05827	0.5
69.03432	2.6
69.07066	6.4
69.83061	2.9
70.47675	0.4
71.05000	2.9
72.96552	0.5
73.02908	3.1
79.05493	19.5
81.03412	1.5
81.07058	35.0
83.04965	1.3
83.08621	6.7
85.02905	13.0
85.06554	2.4
91.03963	7.2
91.05476	12.4
93.07046	22.6
93.33735	0.6
95.04954	2.5
95.08608	24.7
97.02897	8.8
97.06535	0.7
97.10171	1.9
98.21017	1.0
99.08102	1.0
105.07040	7.8
107.08597	14.4
109.02885	0.8
109.06533	1.2
109.10156	77.4
110.10496	1.0
111.08067	2.9
115.03940	0.9
117.06997	3.2
119.08586	12.1
119.09435	0.8
121.10148	11.6
123.08070	1.0
123.11720	4.6
125.09648	1.1
127.03922	2.9
127.11257	0.7
131.08560	5.5
133.10117	5.5
135.11700	7.7
137.09621	4.4
137.13203	1.3
140.49826	0.6
145.04967	5.1
145.10156	4.6
147.11694	3.8
149.13257	5.4
155.10678	4.6
157.10046	0.8
159.11694	3.3
161.13191	3.5
163.06004	4.5
163.14810	2.4
172.11440	0.5
173.11771	22.0
173.13257	3.7
175.14778	0.9
177.16336	1.0
187.14812	2.0
189.11299	1.2
227.12791	5.9
229.14354	95.9
230.14684	1.6
233.22681	0.7
243.21043	5.0
261.22144	17.3
293.09604	0.6
299.23654	0.8
317.24643	2.4
335.25797	66.4
336.26013	1.5
379.29926	1.1
397.30893	1.7
415.31866	1.7
471.34796	1.7
489.35767	44.8
490.35858	2.0
507.36746	6.1
636.44409	0.6
823.82800	0.7
848.45795	0.6
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
59.04998	2.8
61.02929	11.7
65.03941	2.8
67.05505	100.0
69.03430	2.1
69.07071	7.1
70.06589	1.0
71.04997	4.0
73.02911	3.1
79.05493	20.4
81.03421	1.8
81.07059	40.0
83.08615	8.0
85.02901	13.3
85.06548	2.7
86.09666	0.7
91.03956	7.4
91.05476	13.3
93.07046	29.6
93.67268	0.7
95.04993	2.2
95.08607	28.7
97.02887	7.2
97.06543	1.0
97.10188	1.7
99.04483	0.6
105.04487	0.7
105.07030	8.3
107.08599	17.1
107.09288	1.2
109.06551	1.2
109.10157	73.1
110.10481	1.0
111.08095	2.7
113.09712	0.8
114.05352	0.6
115.04014	0.7
117.07012	3.5
119.08575	11.8
121.10148	12.3
123.08072	0.8
123.11718	3.7
125.09689	1.2
127.03926	3.0
131.08572	6.9
133.10109	4.7
135.11684	8.5
135.12524	0.7
137.09645	3.7
137.13243	1.2
145.04974	3.3
145.10109	4.3
147.11725	4.1
149.13246	5.9
153.66246	0.7
155.10696	4.5
159.11629	3.6
161.13217	3.4
162.07738	0.9
163.06009	3.8
163.14882	2.6
173.11772	18.8
173.13293	3.3
175.14908	1.2
177.16460	1.0
186.57867	0.6
187.14940	2.4
188.10831	0.7
189.11238	1.2
227.12791	5.5
229.14357	78.8
230.14816	1.0
233.22746	0.9
243.21053	4.2
261.22156	21.3
263.23862	0.7
317.24683	3.3
335.25787	65.2
336.26352	2.1
379.30026	1.5
397.31201	1.7
415.32043	1.4
426.35092	0.7
471.34995	1.8
489.35754	64.0
490.36075	3.1
507.36694	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	831.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13927	0.8
58.38234	0.8
61.02915	2.9
65.03905	0.9
67.05508	5.2
69.03426	3.8
69.07065	4.9
71.57953	0.9
71.58317	0.9
73.02924	4.0
79.05496	5.0
79.92332	0.8
81.03435	2.8
81.07065	4.7
83.05018	0.8
83.08635	0.9
85.02907	3.4
91.03947	1.8
91.05463	3.9
93.07037	4.0
95.04982	1.9
95.08616	4.1
97.02880	4.3
97.35538	0.8
101.02406	1.5
105.07031	3.7
107.04939	1.2
107.08608	2.1
109.02906	1.2
117.07032	1.8
119.08549	1.6
121.10151	0.8
123.08122	1.0
125.09676	0.9
131.08578	1.4
133.10115	1.1
135.08067	1.4
149.09613	1.2
152.87010	0.9
154.96388	0.8
156.87277	0.9
168.04054	0.8
243.08360	4.2
354.09689	0.9
357.02402	0.8
381.31613	0.9
521.23669	3.4
523.25153	5.4
539.96698	1.0
549.26740	2.3
551.28461	2.3
692.13232	0.9
831.44781	100.0
832.45392	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	831.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.8
65.03944	0.9
67.05513	4.3
68.78792	0.7
69.03432	3.4
69.07066	5.5
69.25928	1.8
69.26333	6.2
71.04993	1.0
73.02901	3.7
79.05495	6.4
81.03426	2.1
81.07070	5.1
83.08646	0.8
85.02901	4.4
91.03944	2.0
91.05475	4.5
93.07072	4.5
95.04972	1.6
95.08624	2.3
97.02869	3.6
97.06544	1.3
98.21108	3.5
101.02381	1.1
105.07042	1.8
107.04982	1.0
107.08611	2.2
109.10159	1.3
117.07023	1.2
119.08598	2.5
120.48872	0.7
121.10129	1.4
127.03890	1.5
131.08591	1.4
133.10081	1.2
135.79527	0.7
143.07018	0.9
145.10136	1.5
147.11603	0.7
187.68581	0.7
243.08437	3.8
287.05551	0.9
303.07040	1.1
305.16986	0.8
521.23767	3.0
523.25043	3.5
549.26764	1.9
551.28259	2.5
831.44897	100.0
832.45264	5.8
833.70459	0.8
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
59.04982	2.5
61.02930	12.0
65.03952	1.1
67.05509	62.1
69.03429	1.9
69.07069	6.9
69.45760	3.3
69.46169	1.9
71.04991	3.1
71.08280	1.2
71.08638	17.4
73.02916	3.4
79.05495	2.8
81.03438	1.7
81.07063	18.5
83.08633	9.5
85.02913	11.9
85.06552	2.2
85.10196	10.9
89.06020	0.7
91.03968	8.1
91.05496	3.8
93.07056	3.5
95.08040	1.2
95.08617	16.5
97.02882	7.4
97.10175	4.0
98.21076	2.9
99.04477	0.7
99.08041	0.8
99.11747	0.8
103.07598	1.0
105.07028	0.9
107.08608	1.9
109.10163	67.0
110.10470	1.0
110.37408	0.7
111.08099	2.8
116.08532	0.7
119.08593	4.4
121.10181	0.7
123.11716	3.5
127.03910	2.7
130.06580	1.0
137.09613	3.5
137.13254	1.5
145.04971	3.5
155.10681	2.9
163.06042	4.3
171.40811	0.7
173.11745	17.3
173.13162	1.4
202.11449	0.8
203.44717	0.8
229.14368	80.3
230.14734	1.3
239.23882	1.4
257.24796	2.6
264.43921	0.9
313.27383	84.3
314.27768	2.6
358.47226	0.8
439.16653	0.8
467.37354	100.0
468.37869	5.1
531.97900	0.8
737.14899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02942	4.0
65.03953	5.8
67.05503	76.4
69.03426	8.1
69.07060	57.1
71.04990	8.9
79.05060	6.1
79.05493	100.0
81.03409	22.2
81.07059	82.4
83.04977	13.6
83.08601	18.4
85.02891	7.3
85.06525	4.2
91.04964	5.8
91.05483	84.1
93.07052	80.8
95.04971	14.4
95.08601	45.0
97.06536	32.0
97.10166	13.2
99.08125	4.1
105.07037	58.4
107.04967	18.5
107.08604	55.5
109.02869	4.4
109.06532	10.3
109.10155	21.8
111.08107	9.3
115.05374	3.8
117.07006	30.5
119.08592	38.5
121.06502	7.2
121.10154	32.3
123.08083	5.8
125.05966	5.7
125.09657	15.0
129.07053	18.1
130.07774	3.9
131.08563	40.9
133.10126	46.0
135.08046	20.2
135.11687	8.7
137.09612	6.4
141.06987	6.9
143.07054	15.2
143.08600	9.3
145.10114	36.2
147.08057	5.4
147.11684	18.9
149.09625	37.0
149.13268	6.5
151.11183	5.6
155.08519	7.4
157.10101	9.6
159.11710	18.2
163.11212	14.7
169.10112	13.3
171.10187	5.9
171.11662	7.7
173.13274	10.7
177.12784	5.5
185.13148	6.2
187.11147	6.0
187.14832	7.2
189.11205	6.7
195.11739	4.9
195.13567	6.0
197.13283	5.5
199.09613	18.4
201.11118	4.2
201.16312	13.0
211.14909	7.8
227.12758	20.6
229.15897	16.3
229.19547	4.3
241.14371	10.8
247.16934	21.0
257.19095	6.5
265.17984	6.2
269.17438	9.7
275.20135	34.7
278.35510	3.6
321.20557	30.7
349.23816	24.1
421.25803	8.3
435.27435	8.5
477.58804	4.0
497.32135	6.7
501.32025	5.4
515.33533	16.4
523.07483	3.8
540.06360	4.0
594.48303	4.4
595.39838	14.3
613.40466	6.4
669.16229	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	826.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88915	0.8
59.04995	2.5
61.02925	10.9
65.03941	1.0
67.05505	64.2
69.03419	1.5
69.07081	5.2
69.84953	1.2
69.85239	5.4
71.04990	2.3
71.08635	12.8
73.02920	2.4
79.05505	1.7
81.07059	16.1
83.05009	0.9
83.08629	9.9
85.02902	12.2
85.06538	1.1
85.10178	8.8
89.06028	1.4
91.03970	7.7
91.05493	4.1
93.07051	2.9
95.08605	15.0
97.02892	6.0
97.10184	3.4
98.21075	2.5
99.04450	1.0
103.07557	1.1
107.08577	2.4
109.10157	63.9
111.08076	2.7
111.22106	0.8
119.08591	4.4
123.11694	3.1
127.03895	2.9
137.09651	2.6
137.13261	1.4
145.04974	2.5
155.10680	3.8
163.06038	3.2
173.11746	20.0
219.90546	1.0
229.14355	100.0
230.14738	1.9
239.23654	1.6
257.24847	1.3
313.27359	75.9
314.27701	2.9
467.37335	64.5
468.37750	3.4
604.56305	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	2.9
67.05167	4.6
67.05507	76.3
69.03452	15.6
69.07070	81.1
70.03496	5.0
70.03889	8.6
71.04966	5.8
78.08910	3.1
79.05496	100.0
81.03418	21.9
81.07060	97.2
83.04971	12.4
83.08611	13.5
85.02901	6.2
85.06516	4.7
86.09713	3.6
91.05480	74.8
93.07048	96.2
95.04984	19.3
95.08614	48.2
97.02898	18.1
97.06529	22.7
97.10160	11.0
98.21127	8.2
99.04410	3.3
99.08104	4.5
105.07034	52.7
107.04949	22.8
107.08593	41.4
109.02824	3.5
109.06503	10.8
109.10139	22.6
111.08053	5.4
115.05460	4.6
117.07009	24.5
119.07768	5.7
119.08578	55.9
121.06509	9.5
121.10151	59.2
123.08057	12.5
125.09616	9.9
128.06195	3.8
129.07011	17.4
131.08585	49.4
133.06456	6.6
133.10126	37.4
135.08090	17.9
135.11678	14.3
137.09604	7.5
138.39616	3.2
139.11206	3.6
141.07013	4.4
141.09178	4.0
142.07796	4.4
143.07037	8.2
143.08580	15.7
145.06458	4.3
145.10135	23.9
147.08073	19.0
147.11668	13.3
149.09628	37.2
149.13248	9.4
151.07474	4.1
151.11191	8.8
157.10207	15.8
159.08009	3.7
159.11688	15.5
161.09570	10.4
161.13231	6.6
163.11188	7.3
165.09175	8.0
165.77727	3.8
167.10735	4.9
169.10085	3.5
173.13243	5.3
177.09230	5.0
177.12772	4.0
183.11681	5.3
184.07338	9.6
185.09540	3.8
189.12779	3.9
189.16444	3.9
195.13844	6.0
199.09619	10.5
199.14870	10.1
201.16295	5.6
211.14789	5.0
217.15877	9.7
223.13277	13.9
225.11223	5.2
227.12801	13.1
229.15903	5.8
241.14423	19.1
245.15410	13.9
247.16933	13.1
253.14333	8.6
255.15813	5.5
263.16589	5.8
269.17459	26.1
273.18460	10.1
275.20047	14.1
291.19577	79.9
292.19519	3.3
321.20621	13.0
337.20074	38.1
347.21979	4.0
349.23749	10.7
365.23233	36.2
503.36444	3.3
513.32147	6.1
517.31879	21.9
531.33197	89.7
541.62445	2.9
611.39264	18.4
826.41943	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	826.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.5
67.05170	5.6
67.05505	76.6
69.03448	14.4
69.07069	79.7
71.04994	3.8
71.58450	3.4
73.61516	2.7
77.35872	2.4
79.05492	100.0
79.05955	5.8
81.03419	17.0
81.07057	72.2
82.25408	3.0
83.04998	13.9
83.08617	13.6
85.02921	3.8
86.09682	3.2
91.05482	78.5
93.07047	69.3
95.01278	3.1
95.04974	21.1
95.08611	45.2
97.02887	17.1
97.06546	28.9
97.10165	16.1
103.05474	2.7
105.07030	44.4
107.04964	24.0
107.08597	42.7
109.06522	11.9
109.10153	17.7
111.04422	3.7
111.08093	6.0
117.07016	23.8
119.08577	44.3
121.06519	9.0
121.10149	37.8
123.08056	18.1
125.09637	17.1
128.06221	5.6
129.05479	3.5
129.07024	18.6
130.07828	3.9
131.08571	41.1
133.06435	6.1
133.10138	29.9
135.08070	19.6
135.11676	8.5
137.09586	7.6
143.07060	8.4
143.08514	14.2
145.10110	27.5
147.08073	13.5
147.11673	9.7
149.09619	37.4
149.13222	6.8
150.32939	3.2
151.07527	7.9
151.11151	5.8
153.09131	2.8
155.08580	4.3
157.10159	9.9
159.11673	18.2
161.09636	6.3
161.13248	3.1
163.11185	11.7
165.09076	7.8
169.10083	11.0
171.11697	6.9
173.13219	5.8
175.11165	4.7
176.14293	2.6
177.12851	5.0
183.11765	5.4
184.07350	9.7
185.13269	6.1
187.14850	4.9
187.63646	2.8
189.11223	5.2
189.16414	5.9
199.09601	17.5
199.11218	3.4
199.14821	7.6
201.12787	3.9
201.16351	10.3
205.12123	3.4
211.14787	6.1
217.15901	8.9
223.13329	18.7
225.11238	10.2
227.12579	14.7
229.15851	13.0
241.14372	11.9
245.15372	12.5
247.16965	14.2
257.18958	4.6
263.16440	10.2
269.17441	7.9
273.18445	13.5
275.20068	14.2
291.19513	99.7
319.19058	4.4
321.20554	19.6
337.20044	24.6
341.87015	2.7
349.23608	8.2
365.23264	41.0
453.26822	2.8
491.30283	3.0
506.58701	3.1
513.32281	3.8
517.31628	15.4
531.33246	42.9
585.30151	2.9
611.39667	38.9
629.39960	5.5
826.40967	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	817.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99169	0.7
59.44075	0.7
61.03647	0.8
63.63791	0.7
67.05505	1.3
70.24178	0.7
71.58385	0.9
79.05490	1.3
81.07051	1.8
86.82544	0.7
88.52538	0.7
93.07009	1.2
101.04265	1.3
117.28319	0.8
161.66483	0.8
213.28897	0.8
262.99084	0.7
264.01859	1.1
487.01709	0.7
507.23444	1.0
510.88089	0.8
752.63068	0.9
817.45056	100.0
818.45618	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	817.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58309	0.7
64.98127	0.8
70.10297	3.3
81.07065	1.1
91.05495	1.0
96.10683	0.8
98.20833	1.9
98.21360	1.1
109.10155	1.1
116.56858	0.8
128.26814	0.9
131.56355	0.8
152.73396	0.8
308.47073	1.0
313.27441	1.2
507.23611	1.3
817.44971	100.0
818.46094	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	821.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	18.0
57.07061	1.5
61.02929	68.9
65.03934	1.7
67.05165	2.1
67.05507	31.0
69.03436	26.0
69.07063	7.3
69.97506	2.2
69.97897	3.3
70.06592	1.6
71.01337	3.4
71.04983	3.5
73.02914	19.2
75.04464	2.1
79.05499	18.6
81.02979	1.8
81.03418	23.7
81.07056	28.1
83.04985	4.0
83.08615	5.4
85.02906	100.0
85.97461	1.2
87.04442	1.9
88.07639	2.6
91.03954	55.7
91.05473	15.9
93.07048	21.6
95.04970	4.4
95.08613	24.2
97.02895	72.9
97.06525	2.4
97.10149	1.9
99.04461	13.4
101.02377	5.0
103.03963	8.6
104.51012	1.3
105.07029	10.4
107.08596	13.8
109.02885	10.2
109.10170	10.8
111.04462	3.0
115.03955	7.0
117.05524	2.2
117.07019	4.9
119.08590	7.9
121.10136	11.3
123.11697	4.0
127.03914	38.3
129.05476	4.8
129.07013	1.7
131.08536	9.8
133.10149	8.3
135.11699	8.6
136.06203	1.8
137.09535	2.3
137.13319	1.3
143.08615	2.1
145.04965	32.6
145.06047	1.1
145.10146	7.3
147.08008	1.4
147.11691	7.0
149.02362	6.1
149.09605	1.6
149.13266	4.3
155.07085	1.4
155.08517	1.3
157.10080	1.6
159.06512	2.8
159.08018	1.5
159.11732	6.1
161.13248	4.7
163.06023	21.8
163.14836	3.9
165.12805	1.5
169.10057	1.6
171.06468	2.4
173.13240	6.0
175.14874	2.2
181.22122	1.5
183.06581	7.7
185.13202	2.0
187.11089	1.5
187.14822	3.5
195.11766	1.7
199.14799	1.6
201.07556	7.0
206.75963	1.3
228.23169	2.9
243.21153	5.4
252.31848	1.2
259.20654	3.8
261.22131	16.1
301.21490	1.4
303.23178	3.6
315.23184	1.6
317.24844	1.4
325.02133	1.3
327.23245	1.3
330.94614	1.2
335.25781	53.9
341.24826	1.4
351.22897	1.3
363.25198	3.1
365.26520	1.7
369.24133	4.5
377.26834	3.7
387.25162	2.2
389.26950	2.5
405.26367	1.7
443.27856	4.0
461.28894	4.5
479.30045	9.3
497.31094	3.5
551.18109	1.4
600.14752	1.3
739.80823	1.4
756.66882	1.4
804.79968	1.4
822.36108	4.9
831.69568	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	20.3
57.07070	6.1
57.22694	3.0
59.04985	2.9
60.59581	2.8
61.02919	3.2
61.39067	3.2
65.03942	5.5
67.05505	100.0
69.03391	3.2
69.07077	24.4
71.05013	6.2
71.08623	6.4
71.18447	5.2
73.02909	3.8
79.05493	91.7
81.03416	12.9
81.07061	83.0
83.04977	5.3
83.08614	18.8
85.02879	3.1
85.36272	2.9
86.09711	3.4
91.05487	45.6
93.07053	76.5
95.04433	3.0
95.04945	14.6
95.08614	47.7
97.06534	7.7
97.10178	8.8
98.21361	3.3
99.08085	4.8
105.07043	25.9
107.04939	3.7
107.08588	37.8
109.06523	8.0
109.10164	45.6
111.08093	6.3
115.05460	3.3
117.07025	16.1
119.08582	33.9
121.06451	3.7
121.10149	44.0
123.11725	8.3
125.09647	7.8
129.07011	9.9
131.08575	24.2
133.06470	2.6
133.10118	22.6
135.08035	4.7
135.11696	17.4
137.09641	3.6
145.10123	19.5
147.11690	13.6
149.09627	9.9
149.13322	15.2
155.08456	3.0
157.10150	4.4
159.11662	10.0
163.11151	4.9
164.08325	3.5
165.12764	3.0
171.11707	4.4
173.11732	9.1
173.13248	10.6
185.13371	3.8
187.14851	4.9
189.11273	4.5
198.14830	4.7
215.18004	14.9
227.12743	6.3
229.14343	25.9
233.18959	16.4
236.50322	3.7
257.18930	3.8
269.17468	15.1
275.20071	27.4
293.21057	4.5
307.22675	95.4
349.23999	17.8
367.24768	12.3
405.78326	2.7
441.48969	3.7
461.32626	19.4
501.35733	45.1
505.38754	8.8
539.09210	3.3
539.17993	3.4
581.42078	33.6
588.44299	5.5
599.42871	23.5
763.09882	3.7
815.45245	14.8
837.43469	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	810.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	18.1
59.42163	1.4
62.38021	1.3
65.75665	1.5
67.05508	4.2
69.07071	4.5
71.08636	35.0
73.06549	4.2
77.03874	1.6
79.05503	6.8
81.03435	2.0
81.07053	4.3
81.24303	1.2
83.08650	2.4
85.10188	20.5
87.04479	33.1
89.06039	100.0
91.05500	16.5
93.07040	10.4
94.85575	1.4
95.04996	3.1
95.08620	5.4
95.58274	1.5
98.20951	9.3
103.05455	1.7
105.07035	5.4
107.04945	5.6
107.07059	3.2
107.08588	5.8
117.07010	3.7
117.09121	2.1
119.04983	3.1
119.08566	10.2
121.06525	16.8
121.10140	3.4
123.08051	1.9
124.03921	1.5
126.24697	1.5
127.14877	2.1
130.08652	1.7
131.07033	13.8
131.08536	3.4
133.08614	72.4
133.10158	3.9
135.08075	8.1
135.11670	3.1
136.05260	2.9
136.06200	11.5
145.10127	2.7
147.08069	6.5
147.11670	2.2
149.09659	6.7
150.06827	2.8
161.09654	1.8
161.13324	2.6
163.11246	3.7
165.09099	7.6
167.10660	2.3
170.11934	1.5
173.09641	1.8
175.09695	8.8
175.11128	2.7
177.11230	27.4
177.12689	3.2
191.10684	3.2
193.12355	2.2
209.11758	2.4
211.13387	3.5
215.45033	1.6
219.12253	2.1
221.13815	3.9
229.14096	2.0
235.13353	2.7
241.47990	1.7
247.20538	14.9
255.15990	3.1
273.22217	4.5
287.45901	1.5
289.18021	1.7
291.23187	26.7
299.18497	1.6
307.22491	2.6
317.24786	3.0
335.25867	8.8
345.20596	1.8
353.19849	2.2
363.37488	1.7
595.39905	2.5
613.40631	3.7
793.52814	4.2
810.55518	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	809.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.0
67.05494	3.2
67.06771	1.1
68.05042	1.7
69.03436	1.6
70.06593	11.1
71.58182	1.2
72.08148	2.0
73.02914	2.3
74.00654	2.6
76.04005	3.1
79.05482	2.9
80.05021	3.6
81.07048	4.1
82.06588	2.0
83.06135	1.5
84.04510	9.0
84.08139	4.0
85.02902	4.7
85.04031	6.3
86.09711	3.9
91.03947	2.7
91.05471	1.5
92.01699	2.6
93.07047	2.3
93.20685	0.9
94.06578	4.2
94.67290	1.0
95.08604	5.7
97.01119	3.5
97.02885	3.8
99.05569	1.7
101.04262	5.4
102.05526	1.1
105.07043	1.1
108.08154	1.0
110.06029	2.5
111.02695	1.3
112.01431	1.4
112.02199	18.7
112.07616	1.6
113.03497	1.4
114.00168	0.9
118.06557	1.4
119.08621	1.4
120.08119	1.9
123.02660	2.4
123.08108	2.5
124.02180	17.9
126.03745	32.3
126.04637	2.2
128.01671	1.8
129.06549	2.6
129.10252	3.3
129.11450	1.2
130.05003	11.5
131.04538	4.3
133.10092	1.8
134.06009	1.5
134.09660	1.4
135.02698	2.5
136.02168	3.9
136.07646	1.7
137.02995	1.0
137.04204	1.5
138.03732	3.2
138.05495	18.1
140.07121	1.3
142.03217	6.6
145.06091	3.3
145.10106	1.2
147.02658	1.8
147.07709	1.7
150.03748	6.1
152.01648	4.1
152.05331	1.7
152.07051	2.1
153.06573	2.5
155.08269	1.0
158.02719	3.1
159.02274	2.2
160.11212	1.6
164.07057	3.5
166.03217	1.6
166.06897	1.3
170.02719	51.7
174.12796	1.9
177.03294	11.7
177.07460	1.4
178.03217	3.3
178.08635	2.9
179.71211	1.2
181.06094	3.0
182.02704	4.7
182.95830	1.1
185.03793	10.8
192.13800	1.1
194.02690	5.5
196.04323	5.1
200.10724	1.1
203.09123	1.3
204.10246	1.6
206.10101	2.3
206.11784	1.3
208.11604	6.7
216.08398	2.1
218.09956	2.4
218.11801	5.5
220.13393	2.7
222.02190	3.4
222.14890	3.3
224.11110	1.6
228.10252	2.2
229.10945	3.9
230.11734	1.6
231.04356	28.7
234.09453	11.7
236.07367	3.3
236.11032	27.8
236.13306	1.8
238.09097	1.2
238.12506	1.1
246.11302	2.9
248.12785	2.7
250.14478	5.0
251.37471	1.1
252.10541	14.1
254.12111	37.1
255.12482	1.3
257.74554	1.3
260.10995	2.5
262.08966	13.6
264.10507	4.9
278.12070	2.7
280.10062	31.7
280.13141	1.9
282.11581	36.1
288.06516	2.8
298.11237	1.6
300.12576	1.6
306.07944	2.1
306.11511	18.9
308.13052	1.5
323.14178	11.0
334.11038	16.0
336.12521	1.5
340.17535	8.4
342.18970	5.0
350.56256	1.1
351.13870	1.9
354.13672	4.3
355.16467	1.3
361.15744	1.3
372.14752	72.2
373.15021	2.0
380.15320	2.4
389.15250	4.0
398.16312	14.3
408.14746	1.5
415.19009	10.6
425.17401	2.7
426.15866	2.6
443.18335	5.3
463.18820	1.6
483.17773	1.5
500.20560	4.2
518.21704	100.0
519.22089	3.3
554.21631	1.5
560.22614	2.2
566.21478	1.6
572.22662	18.6
577.24518	1.3
579.70380	1.2
626.23444	1.4
629.24615	4.0
647.25885	57.4
648.25854	3.2
680.26849	5.4
689.27570	1.2
734.28522	2.4
809.30511	6.5
809.45844	2.4
809.97284	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.8
57.07054	0.6
61.02924	5.3
65.03935	0.6
67.05505	6.1
69.03420	3.5
69.07063	1.7
69.07421	0.4
69.70046	2.3
71.05007	0.6
73.02914	4.4
77.32436	0.4
78.53334	0.4
79.05483	4.6
81.03426	1.6
81.07067	4.3
83.05007	0.5
83.08615	1.0
85.02911	5.1
87.04440	0.4
91.03967	2.5
91.05483	3.4
93.07046	4.4
95.04962	1.2
95.08599	2.8
97.02892	4.5
98.20887	1.0
98.21541	0.9
99.04470	1.0
101.02391	1.6
101.17032	0.5
105.07011	1.9
107.08600	1.6
109.02898	0.8
109.10160	1.7
119.08601	1.6
121.10145	2.1
127.03946	1.8
131.08578	0.6
133.10147	1.5
135.11705	1.1
145.10121	0.7
146.02103	0.4
147.11729	0.6
163.11205	0.7
185.04332	0.5
243.08490	1.6
283.15524	1.1
284.15756	0.8
311.98993	0.5
333.20389	1.2
377.75409	0.4
491.26169	6.0
519.29553	0.7
523.25378	0.7
551.28375	1.5
703.40253	0.7
744.79352	0.5
801.47546	100.0
802.47791	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	797.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.8
61.02929	5.8
62.80095	0.7
67.05513	6.2
69.03426	4.1
69.07073	2.2
69.91006	3.7
73.02918	4.3
73.34543	0.7
76.88257	0.7
78.84234	0.8
79.05496	4.3
81.03421	1.3
81.07062	6.1
83.08601	0.7
85.02901	5.9
91.03970	2.6
91.05508	2.4
93.07037	5.0
95.08612	4.6
97.02892	4.9
99.04485	1.1
101.02380	2.1
105.07053	1.3
107.08614	3.1
109.10187	1.4
109.87879	0.7
110.98312	0.9
111.48852	0.7
119.08578	0.9
121.10201	2.1
127.03966	1.1
131.08586	1.6
135.11740	1.1
145.10213	1.0
149.13347	1.1
177.87195	0.8
185.04364	0.8
243.08444	1.8
293.96838	0.7
305.61609	0.7
368.82971	0.8
510.62717	0.9
519.29346	13.7
537.04803	0.9
757.80164	0.8
758.17102	0.9
797.51758	100.0
798.52057	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	801.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
57.07083	0.6
61.02642	0.5
61.02929	4.5
67.05509	4.5
69.03430	3.2
69.07072	2.6
70.71616	0.7
70.71973	1.0
71.04991	0.5
73.02916	3.1
79.05495	4.0
81.03420	1.3
81.07053	3.2
83.04971	0.8
83.08605	0.7
85.02913	4.7
91.03967	2.2
91.05498	2.6
93.07045	3.8
95.04984	0.5
95.08610	2.6
97.02905	4.5
97.10184	0.5
99.04494	0.5
101.02411	1.6
105.07053	1.8
107.08617	1.8
109.02929	0.6
109.10168	1.0
119.08593	0.8
121.10177	1.9
127.03944	0.9
131.08585	0.8
133.10152	0.7
135.11710	0.8
145.10146	0.8
147.11768	0.7
159.11694	0.5
163.36897	0.4
175.67828	0.4
185.04272	1.0
243.08514	1.9
307.22794	1.1
333.20526	1.6
491.26285	8.7
551.28595	1.7
801.47565	100.0
802.47833	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	796.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	13.2
57.07072	2.9
59.04991	2.6
61.02916	3.8
65.03926	4.1
67.05508	100.0
69.03438	9.0
69.06719	2.3
69.07071	31.7
69.33647	14.0
70.30833	1.5
70.44537	1.4
71.05000	7.3
73.38545	1.5
79.05495	92.8
81.03436	12.6
81.07059	84.7
83.04978	7.3
83.08623	19.7
85.02913	8.2
85.06540	4.8
87.04481	1.9
88.79239	1.7
91.05485	70.4
93.07047	84.0
95.04968	11.2
95.08610	52.9
95.09231	2.3
97.02898	5.6
97.06522	13.7
97.10171	15.9
98.21132	7.2
99.08105	3.6
103.05487	2.0
105.04535	2.2
105.07034	52.2
107.04923	8.3
107.08595	57.4
109.02884	2.6
109.06525	9.1
109.09425	1.3
109.10149	36.6
111.04443	1.5
111.08080	6.0
111.94550	1.4
115.05414	2.0
117.07025	19.0
119.08585	36.9
121.06481	2.6
121.10149	39.8
121.67734	1.5
123.08078	3.8
123.11710	8.5
125.09641	14.5
127.03923	4.9
128.06268	3.5
129.05542	1.6
129.07004	7.8
130.07805	1.6
131.08560	30.6
133.10133	27.8
135.08066	6.7
135.11707	23.7
137.09633	3.7
139.11098	1.7
141.07004	2.6
143.07126	1.9
143.08569	6.6
145.10133	31.7
147.08064	2.4
147.11696	19.5
149.09616	15.0
149.13239	9.9
151.11172	4.1
153.09088	2.9
155.08583	2.2
156.58203	1.5
157.10138	8.5
159.11705	20.0
161.09639	3.4
161.13271	6.2
163.11209	7.2
163.14819	2.4
165.09071	1.9
169.10146	5.0
171.10321	1.8
171.11705	9.3
173.11740	6.8
173.13266	12.9
175.11194	3.7
177.12762	3.7
179.14388	2.3
181.12250	2.0
183.11662	5.3
185.13283	5.0
187.14809	3.1
189.11282	8.4
189.16371	1.7
191.14407	1.8
193.12450	1.9
195.13882	2.2
197.13242	2.1
199.14835	2.3
201.16388	2.7
205.19493	1.6
211.14804	4.3
213.16522	2.0
215.17964	14.9
217.15555	1.6
227.12804	19.2
229.14148	15.6
229.16324	2.8
229.19478	2.0
231.17494	3.5
233.18964	12.7
239.17943	5.2
247.16920	4.8
247.20514	2.5
257.19025	10.0
269.17520	3.7
275.20062	40.7
289.21576	2.3
293.20929	3.7
307.22693	96.0
309.24274	2.4
321.20532	11.8
335.25854	2.0
349.23743	38.6
350.24222	2.2
367.24997	1.9
403.28397	2.4
406.73129	1.5
461.32626	21.1
477.32028	5.3
485.36136	2.3
487.33929	1.7
501.35751	5.5
518.38324	2.2
531.05786	2.2
566.23846	1.8
581.41968	54.6
582.42480	1.8
599.43060	4.3
760.72040	1.8
797.44208	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	795.287
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43632	0.7
67.05500	1.0
70.98721	1.1
70.99040	1.4
79.05464	1.1
79.10789	0.8
91.05470	0.9
93.07059	1.4
95.08584	1.1
97.13577	0.9
119.08550	1.4
143.43097	0.8
146.04147	0.9
159.61325	0.8
166.92766	1.0
167.10817	1.1
209.11008	1.0
210.11523	0.9
222.11523	1.0
223.12236	1.2
225.10201	1.7
225.13853	3.8
237.13905	1.9
238.14525	1.0
251.08183	2.4
292.56696	1.0
372.14926	0.8
403.15118	1.4
403.19879	1.1
405.20593	1.4
417.16940	4.5
418.17673	4.0
419.18457	1.8
431.18677	2.5
432.19339	3.2
433.20041	6.4
445.16229	1.2
447.21912	11.9
448.22208	1.5
461.19290	1.3
474.20541	1.4
475.21268	27.0
476.21994	6.9
489.23148	1.2
503.20749	3.7
507.23889	1.3
519.24121	1.5
535.23279	14.9
547.23535	2.3
549.25006	1.7
561.24927	7.5
562.25745	7.8
563.26367	3.2
590.25293	3.9
607.25421	1.5
621.27179	11.4
622.27850	100.0
623.28284	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	795.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99323	0.6
67.05500	0.9
79.05488	0.7
95.70498	0.6
98.35547	0.7
169.37260	0.6
192.65332	0.7
195.09227	0.8
195.91460	0.7
209.10797	0.7
210.11491	0.9
217.85817	0.6
222.11501	1.1
223.08742	0.9
223.12254	1.3
224.13086	1.3
225.10321	1.1
225.13898	3.6
226.14554	0.8
235.94147	0.6
237.13885	1.9
240.33949	0.7
245.48065	0.7
249.13983	1.0
251.08105	1.0
286.88379	0.8
316.59952	1.0
337.70068	0.6
338.12735	0.8
340.14490	0.7
354.11624	0.8
389.17819	1.0
390.18256	0.8
403.19705	0.9
405.21201	1.5
417.16739	3.7
418.18008	2.4
431.18765	2.1
432.19562	1.6
433.20233	5.8
438.97437	0.8
447.21921	10.8
448.22522	1.1
454.17279	0.8
461.19327	1.2
475.21326	23.3
476.21799	6.4
503.20609	3.8
507.24091	0.9
535.23407	16.1
547.23560	3.1
549.25031	2.2
561.25079	6.1
562.25623	5.1
563.26678	2.7
590.25250	1.7
607.25024	1.4
621.27069	11.1
622.27844	100.0
623.28052	7.7
765.81348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	10.5
57.07058	2.3
59.04990	1.2
59.54708	1.2
59.64523	1.2
65.03938	1.9
67.05508	53.0
67.05870	2.5
69.03431	8.7
69.06719	1.5
69.07072	25.0
71.04979	3.2
71.58661	1.3
73.02888	1.2
79.05496	55.2
81.03393	4.7
81.07056	46.1
81.11861	1.2
83.04974	3.7
83.08616	12.1
85.02921	2.3
85.06521	3.5
87.04464	4.9
91.05482	32.3
93.06468	2.7
93.07048	53.7
95.04547	1.1
95.04977	12.3
95.08608	26.8
96.26208	1.3
97.02901	10.3
97.06537	3.9
97.10165	15.3
99.08086	1.9
105.04529	1.2
105.07037	21.2
107.04940	3.8
107.08600	21.7
109.06498	2.2
109.10160	15.2
111.08076	2.5
115.05468	1.9
117.07001	10.2
119.08573	17.5
120.83781	1.4
121.06488	4.5
121.10155	21.7
123.08059	2.6
123.11685	3.3
125.09634	11.6
129.05533	1.3
129.06979	4.0
130.07726	1.6
131.08563	12.6
133.06488	2.5
133.10124	8.7
135.08081	3.5
135.11697	13.6
137.09602	4.3
143.08577	3.7
145.10109	7.7
147.08012	6.7
147.11688	7.5
149.09607	3.5
149.13223	6.3
153.09108	2.0
157.10123	3.5
159.11697	7.1
160.70097	1.3
161.09602	3.2
163.11180	2.2
165.09154	1.5
173.13268	3.1
175.11166	2.8
177.12833	1.6
179.56201	1.3
189.11194	3.5
205.12360	2.2
215.17999	12.9
223.13286	18.6
227.12723	4.6
233.18958	8.9
249.14847	2.0
260.93335	1.2
273.18500	14.2
291.19556	98.4
292.19858	2.7
307.22672	100.0
308.22931	3.7
337.20026	3.2
365.23212	52.1
366.23297	2.8
499.34094	1.6
517.35175	4.3
597.41504	87.3
598.41412	5.7
629.19861	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	10.8
57.07058	3.7
65.03935	3.8
67.05507	100.0
69.03419	4.8
69.07061	23.5
69.78960	2.9
71.04993	5.8
71.58644	5.7
79.05053	6.2
79.05495	85.8
81.03410	6.7
81.07063	77.7
81.31756	2.8
83.04984	9.5
83.08626	10.0
84.77258	2.7
85.06542	8.3
86.09702	5.4
87.04490	11.0
91.05492	74.8
93.07052	80.6
95.04987	19.9
95.08614	53.0
97.06514	7.9
97.10169	7.0
105.04503	3.4
105.07043	54.2
105.07689	5.8
107.04961	8.7
107.08605	49.8
109.06511	6.5
109.10150	55.9
111.08090	4.4
111.21526	3.5
113.06018	3.7
114.87002	3.4
117.07029	12.1
119.08577	27.3
121.06516	10.3
121.10145	30.0
123.08050	16.6
123.11715	14.5
125.00014	4.2
129.07066	4.4
131.08594	22.6
133.06461	5.7
133.09225	5.7
133.10149	70.1
135.08087	6.6
135.11696	21.2
143.08591	3.9
145.10098	16.9
147.08073	3.8
147.11737	10.1
149.09637	7.2
149.13237	4.7
151.07478	3.2
151.11194	26.8
157.10132	6.9
159.11748	8.7
161.09663	8.9
161.13260	5.8
163.11201	3.8
169.12277	6.4
173.13359	4.1
175.11206	4.4
184.07359	29.2
213.16394	4.4
215.17938	12.7
217.15907	3.3
225.11308	11.2
233.19078	14.3
245.15515	3.4
245.19112	6.4
253.14375	90.8
263.20029	4.9
271.15546	3.7
273.18417	18.2
291.19510	17.1
307.22699	86.1
333.24380	3.2
335.25955	5.9
337.19965	10.2
347.22299	7.0
365.23273	31.1
485.33002	5.8
503.33536	29.3
579.40277	7.3
597.41547	69.5
598.40942	3.7
688.07562	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	794.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	11.4
57.07054	2.7
62.51215	2.5
65.03928	4.2
66.84020	2.5
67.05167	5.5
67.05508	89.8
67.29953	2.4
68.05945	2.8
69.03414	10.2
69.07072	64.3
76.09448	2.8
79.05058	5.2
79.05496	89.9
81.03422	10.6
81.07063	67.4
83.04993	16.3
83.08594	5.5
85.02925	4.7
85.06548	3.4
87.04480	7.2
88.36529	2.5
91.05486	78.9
93.07050	73.3
95.04993	12.8
95.08048	4.0
95.08611	49.2
97.02869	12.7
97.06538	9.7
97.10126	2.8
98.21120	17.6
105.04459	3.0
105.07041	40.8
107.04948	14.6
107.08604	31.8
109.06516	8.2
109.10159	20.1
111.08160	3.1
115.05443	2.9
116.06229	3.3
117.07022	16.6
119.08583	61.8
119.09332	2.2
121.06523	6.9
121.09303	5.3
121.10149	67.8
121.11012	4.0
123.08069	9.4
125.09634	2.5
127.03891	3.7
128.06201	3.5
129.06987	10.8
131.08575	44.7
133.06483	6.2
133.10152	29.2
135.08052	5.2
135.11679	13.9
137.09660	5.9
143.07091	4.8
143.08562	20.0
145.10135	17.7
147.08064	20.3
147.11696	8.5
149.09622	24.2
149.13255	5.6
151.07585	8.0
151.11189	6.0
153.09303	2.9
155.08562	2.8
157.10158	15.0
159.11594	5.6
159.45267	3.4
161.09674	4.0
161.13268	8.0
165.09125	7.1
167.10730	3.3
171.11740	3.9
173.13298	7.2
177.09081	6.3
181.09973	3.2
184.07329	5.8
185.09630	2.9
187.14827	4.0
189.16422	13.8
199.09613	4.2
199.14876	19.5
201.16350	5.6
217.15852	18.4
227.14334	9.5
245.15384	23.8
261.22134	10.7
263.16492	4.9
291.19577	4.8
314.92212	2.5
317.24783	4.9
319.19162	5.2
322.21008	3.1
335.25800	100.0
335.29849	4.8
336.26321	4.0
337.20142	57.1
455.19302	3.2
517.35370	3.9
597.41541	88.3
598.41339	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	793.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.8
69.03416	6.8
70.06581	9.7
71.57937	3.0
76.29472	2.0
76.79633	2.2
79.05458	6.4
80.05016	2.7
81.03397	7.2
84.04493	6.9
84.08124	4.3
85.02873	7.4
86.09689	4.8
91.05475	5.6
93.05796	2.6
93.07024	6.8
94.06558	16.1
94.52831	2.7
95.04941	2.7
95.07388	4.6
96.08127	13.9
97.02893	3.7
103.05483	3.0
105.07030	2.5
106.06538	4.0
107.07301	4.0
108.08100	20.0
110.09679	20.6
117.23734	2.2
119.08584	2.6
120.04478	3.6
120.08099	21.8
122.06053	13.7
122.06779	2.3
122.09640	4.6
124.07581	16.4
130.04988	4.6
130.06525	2.7
132.08076	4.3
134.06015	8.0
134.09660	6.2
136.07574	38.3
137.05968	2.5
138.09148	36.4
141.97261	2.2
144.04494	3.0
146.06010	71.2
147.07584	5.6
148.07590	21.0
150.09149	22.0
152.07080	18.5
160.07668	2.9
162.05530	4.1
164.07079	17.9
166.08638	100.0
172.03914	9.7
174.09073	4.3
176.07005	2.9
182.08092	6.4
190.05008	30.6
191.05309	2.4
192.10143	4.3
197.10857	2.6
198.11559	6.7
198.98267	2.2
199.12271	2.6
209.10735	4.1
210.11526	7.6
211.12323	11.1
212.13187	4.9
213.10152	4.0
213.13861	2.6
218.08179	13.3
223.12280	13.7
224.12965	3.9
225.10165	7.1
225.13802	4.5
226.10941	5.9
227.11794	9.4
229.13258	3.0
235.12323	2.5
237.10353	11.5
237.13887	3.3
238.08789	3.0
238.11006	9.1
239.11731	20.9
240.12572	5.4
241.09717	2.7
241.13272	4.3
245.12733	2.7
249.10251	6.7
250.10989	7.4
251.11816	25.2
252.12486	6.5
253.09682	2.7
253.13388	16.7
255.11223	5.6
256.12070	3.3
257.12814	7.8
259.14465	4.2
262.10831	2.6
263.11789	16.3
264.08810	2.8
264.12585	5.7
265.09726	6.8
265.13351	19.7
266.10629	3.4
266.13983	3.0
267.11255	15.4
267.14655	3.8
268.11963	3.6
269.12720	11.9
271.11221	4.2
271.14432	20.4
273.12384	5.0
277.09689	2.9
279.11295	30.5
280.11954	4.8
281.12814	20.9
283.10931	4.6
283.14343	4.6
284.11615	10.6
285.12338	33.4
289.15491	4.1
291.11215	12.7
292.11774	4.0
293.12793	15.5
295.10690	3.0
295.14169	2.7
296.11584	6.1
297.12335	65.8
297.15692	4.0
298.13028	11.0
299.13885	93.3
301.15463	6.6
309.12167	15.2
310.12991	4.5
311.10547	4.8
311.13861	28.9
312.14594	2.9
313.11884	3.6
313.15527	7.3
315.13397	39.5
319.10687	7.7
321.12540	6.7
323.10205	10.1
325.11859	16.1
327.13351	7.2
337.11813	40.8
338.12543	2.6
339.13330	5.4
341.14929	4.5
342.15585	3.3
343.12897	8.4
357.14435	2.3
385.13333	3.2
392.19751	5.3
404.19800	5.3
417.15738	2.5
421.20163	2.5
422.20853	14.5
430.17700	5.5
431.18216	4.3
432.19046	3.1
434.20963	18.1
442.17639	3.8
448.17899	17.0
449.19409	11.6
450.20059	12.1
459.17593	2.8
460.18851	18.1
461.19153	8.1
462.20325	3.0
464.21793	66.4
465.22226	5.2
474.20279	4.6
476.17984	6.3
477.18860	10.6
478.19415	4.2
487.16782	4.7
490.19696	34.2
491.19641	3.1
587.28668	27.4
595.25354	13.4
612.24835	5.3
613.26514	92.2
614.26538	2.9
626.26941	59.6
627.27765	12.6
652.24835	18.0
653.25861	13.1
654.26129	3.0
749.33801	8.2
755.58124	3.0
775.31934	21.8
793.37415	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
55.05259	1.2
55.05513	14.7
55.65189	0.6
57.03436	11.4
57.07066	2.5
61.02919	2.7
63.13889	0.7
65.03923	2.8
67.05507	64.1
67.95773	0.6
69.03432	1.6
69.06725	1.0
69.07071	16.6
69.63322	0.6
70.83379	1.8
71.04979	1.7
71.08595	0.8
74.50742	0.7
77.03909	0.8
78.22711	0.9
79.05497	38.4
81.07060	61.4
83.04973	1.6
83.08620	6.9
85.02906	2.9
85.06548	1.9
91.03979	0.9
91.05481	22.7
93.07048	40.9
95.04975	4.3
95.08611	42.9
97.02892	1.7
97.06518	3.0
97.10178	2.2
98.21236	1.0
105.04514	1.1
105.07031	20.2
107.08595	25.1
109.06522	2.2
109.09448	1.3
109.10155	20.5
111.08112	0.8
111.11720	0.9
117.07027	8.1
119.07781	1.4
119.08583	17.5
121.10146	18.6
123.08023	1.0
123.11715	8.4
125.09639	1.1
129.06989	1.5
131.08566	12.5
133.10133	12.6
135.11690	14.8
137.13232	2.0
143.08566	2.1
145.10135	8.5
147.11685	11.0
149.13252	9.2
151.14825	0.8
157.10136	1.4
159.11688	9.5
161.13275	7.0
163.14833	4.9
171.11655	1.4
173.13274	7.3
175.14830	3.0
177.16386	1.7
185.13289	2.4
187.14835	3.3
189.16377	1.2
199.14926	1.6
201.16399	1.6
203.17822	0.9
219.17496	0.9
228.56862	0.8
241.19556	3.2
243.21080	4.9
259.20618	7.1
261.22144	16.7
263.23721	1.5
279.23215	1.1
279.99976	0.7
299.23611	1.6
317.24982	3.5
333.24310	5.4
335.25806	100.0
336.26270	1.6
337.27377	9.1
341.28781	0.8
507.66788	0.8
521.43701	2.0
595.47278	14.2
613.48279	9.7
614.64484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	19.4
55.26463	10.3
67.05507	84.1
69.07074	19.5
70.03309	36.7
79.05503	55.7
81.07067	82.4
83.08630	15.3
89.41653	9.1
91.05486	32.5
93.07054	51.2
95.04961	13.6
95.08624	64.3
98.21079	25.5
105.07020	18.5
105.18117	9.7
107.08595	37.2
109.10149	30.1
117.07051	15.5
119.08591	16.9
121.10136	31.1
123.11678	8.8
133.10120	33.2
135.11693	20.8
149.13275	14.7
159.11678	12.3
187.98421	10.6
226.44708	10.6
238.85881	10.2
261.22144	20.0
262.56705	10.2
275.18698	12.5
288.42804	11.7
299.65112	8.9
304.26324	18.3
307.22617	42.0
335.25842	100.0
520.19775	11.9
567.44049	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	792.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
55.05513	6.5
57.03429	1.4
57.07071	0.9
64.78719	0.9
67.05508	15.2
69.07069	5.4
71.08633	2.2
74.09719	1.3
74.74969	0.7
79.05491	5.4
81.06637	1.4
81.07065	15.7
83.08618	2.0
85.05280	2.4
85.51598	0.8
86.06086	0.9
88.26684	0.8
91.05466	3.7
93.07056	6.8
95.04946	3.2
95.08611	9.3
97.06544	1.3
98.06052	11.6
99.08070	1.6
105.07039	3.3
107.08618	4.1
109.06546	4.4
109.10141	2.8
112.07569	1.5
117.07002	1.3
119.08556	2.8
121.06494	3.8
121.10146	3.1
123.08007	1.2
123.11681	1.2
131.08565	2.0
133.10115	3.0
135.08069	1.2
135.11703	1.1
140.10693	1.0
145.10126	1.4
147.11644	1.0
159.11705	1.5
161.13228	1.7
163.11139	1.1
165.12743	8.9
191.14381	2.1
208.16898	1.0
234.68590	0.8
243.37802	1.0
298.77707	1.0
304.26358	100.0
305.26584	3.5
306.27603	1.4
317.24741	4.1
335.25906	7.0
347.25848	2.4
360.28851	6.1
373.27341	4.3
391.28406	27.0
657.41290	0.8
671.86658	1.0
810.23102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
55.05510	6.9
57.03431	1.7
57.07056	2.0
65.03917	1.0
67.05507	18.1
69.07072	7.7
70.91183	0.8
71.08622	3.1
79.05498	8.3
81.07059	15.8
83.04959	0.8
83.08616	2.0
85.05297	3.0
91.05471	4.2
93.07047	9.5
93.67444	0.8
94.56113	0.7
95.04961	2.2
95.08604	10.0
97.06516	1.1
97.10161	1.0
98.06058	10.6
99.08096	1.7
105.07034	4.6
107.08604	5.2
109.06522	4.1
109.10159	3.7
112.07618	1.8
117.07009	2.1
119.08563	3.5
121.06517	4.7
121.10152	3.7
123.11668	0.7
131.08566	2.3
133.10129	3.0
135.08034	1.1
135.11780	1.3
137.79099	0.7
145.10114	1.8
147.11664	0.9
149.13275	1.6
154.12292	1.1
159.11664	1.0
163.11198	2.5
165.12750	9.8
173.13412	0.9
184.07404	0.9
191.14328	2.8
196.16948	1.3
208.16968	1.0
230.93344	0.9
276.54083	0.8
289.25330	1.0
304.26361	100.0
305.26611	3.5
317.24722	3.3
335.25833	6.9
347.25879	1.8
355.26303	1.0
360.29022	5.9
373.27341	4.9
391.28400	27.8
392.28659	1.1
585.44971	2.5
694.54474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
57.03427	2.4
61.02930	4.9
63.61524	0.8
67.05512	5.2
69.03437	2.6
69.07069	1.2
70.71542	1.3
70.71889	1.7
72.56769	0.8
73.02932	3.7
79.05486	4.9
81.03444	1.2
81.07051	4.5
83.08619	1.0
83.31409	0.8
85.02916	4.5
86.09704	1.3
87.64499	0.8
91.03960	2.1
91.05472	4.5
93.07056	3.4
95.05038	0.8
95.08610	3.3
97.02901	3.6
101.02383	2.4
105.07059	2.6
107.08607	1.6
109.10201	1.0
119.08626	1.6
121.10189	1.7
127.03925	1.4
131.08588	1.1
133.10193	2.7
143.08623	0.9
145.10188	1.8
147.11708	1.7
165.05539	0.8
165.89479	0.9
184.07457	3.3
243.08568	1.3
297.42950	1.0
507.25775	8.1
519.29681	3.8
785.48053	100.0
786.48285	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	785.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
57.03436	2.0
61.02925	4.8
67.05498	4.6
69.03428	2.5
69.07082	1.4
69.43427	5.1
71.01357	0.8
71.04971	0.7
73.02910	3.8
79.05496	5.3
81.03432	1.4
81.07053	4.5
83.08613	0.7
85.02902	4.4
86.09712	0.8
89.06046	0.9
91.03961	2.4
91.05492	3.4
93.07056	4.6
95.04987	1.2
95.08630	3.4
97.02895	4.3
101.02393	1.6
101.08931	0.6
105.07045	1.7
107.08652	1.3
109.10169	1.3
117.07042	0.9
119.08620	1.5
121.10177	2.3
124.99928	0.7
127.03918	1.1
131.08546	0.8
133.10168	1.5
134.24657	0.6
135.11693	1.4
143.08601	0.8
147.11673	0.9
149.13272	1.2
159.11823	0.8
165.41153	0.6
173.13100	0.7
175.64120	0.6
184.07408	2.5
233.83646	0.7
243.08347	1.3
268.09866	0.6
296.25528	0.7
459.90860	0.6
491.26065	8.3
492.88962	0.7
506.11176	0.8
535.28674	2.9
625.18091	0.7
785.48059	100.0
786.48267	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	785.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31156	15.8
69.91989	2.2
98.20826	6.5
98.21505	4.0
111.49763	2.2
166.44742	2.0
227.77112	2.0
266.69427	1.9
332.71964	2.3
368.57483	2.0
406.15695	2.4
550.46893	2.0
634.53760	2.1
785.46002	100.0
786.46539	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	785.4794
Annotation	Ximaolide G
Peak:m/z	Relative Intensity
55.05500	6.0
56.05028	4.7
67.05516	11.1
69.07065	8.4
69.42613	9.7
69.43050	7.5
70.06591	8.5
72.08147	4.0
73.00351	2.1
78.35421	2.2
79.05478	6.0
81.07059	20.8
83.06107	31.7
83.08602	2.0
84.04508	63.6
84.08141	5.7
86.09710	4.0
88.39984	2.1
91.05475	4.4
93.07040	5.6
95.08627	17.5
97.10159	4.1
101.07148	13.9
102.05519	6.5
105.07081	3.8
107.08584	6.5
109.10169	13.7
110.07148	5.6
119.08560	6.2
120.08083	6.6
121.10126	3.1
123.11707	8.5
125.41297	2.1
129.06606	72.0
130.05011	70.4
130.06531	4.7
133.10129	2.3
135.11685	6.2
136.06149	3.6
137.09642	16.9
137.13246	2.6
147.07646	55.1
149.09607	3.4
149.13231	3.4
159.11661	2.5
165.09125	100.0
177.05391	2.7
189.12732	5.1
262.81302	2.4
285.18115	3.0
289.25323	6.0
297.22824	2.2
406.29929	3.0
418.29422	3.5
423.32227	54.2
435.32181	16.9
441.33505	3.9
547.63953	2.4
569.39722	4.8
570.37921	4.9
587.40619	37.9
803.54468	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	778.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	24.1
57.00142	6.4
57.03424	18.1
67.05505	72.8
69.07063	17.0
71.34709	5.9
79.05496	74.8
79.55716	6.2
81.07053	67.2
83.08629	8.7
85.02918	8.0
91.05473	39.2
93.07052	70.6
95.08616	55.4
99.08118	7.1
105.07053	31.1
107.08591	34.0
109.10145	22.6
117.07002	13.4
119.08569	17.3
121.10138	31.8
123.11682	9.5
131.08560	15.0
133.10152	28.0
135.11707	29.6
145.10135	13.2
147.11688	15.3
159.11652	13.1
161.13268	6.2
164.48383	6.6
173.13240	6.7
178.48894	7.4
215.17975	21.8
233.19044	9.7
261.22211	10.6
302.48547	6.3
307.22647	97.9
308.29446	9.0
317.24814	9.6
335.25793	100.0
337.27911	6.9
400.07434	6.9
464.47659	7.3
567.44171	15.2
585.44836	9.0
639.62262	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	785.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
55.05510	11.5
56.05040	1.4
57.03429	7.1
61.02926	25.2
65.03944	2.6
67.05167	1.7
67.05506	26.6
69.03433	7.3
69.07060	9.8
70.06583	4.8
70.42798	3.3
71.04985	3.9
72.08157	1.5
73.02914	6.6
79.05495	22.5
81.03405	4.4
81.07055	24.9
83.04974	3.0
83.08593	9.7
84.04516	2.0
84.08134	4.2
85.02904	25.9
85.06528	2.0
86.09708	1.4
91.03963	12.7
91.05476	30.0
91.57474	1.2
93.07039	21.6
95.04966	4.3
95.08605	15.0
97.02884	14.7
97.06506	3.5
97.10159	3.3
98.21056	2.6
102.24283	1.2
103.05486	2.8
105.04525	1.2
105.07027	27.0
106.33841	1.2
107.04953	4.1
107.08585	7.1
109.02874	2.4
109.06517	4.8
109.10155	5.5
110.07162	2.8
111.08076	2.2
115.05494	2.1
115.19878	1.2
117.07025	17.2
119.08590	11.7
120.08100	2.7
121.06509	4.2
121.10136	6.1
123.08050	2.9
125.09579	2.1
127.03910	5.5
128.06261	3.4
129.07001	23.3
130.06494	2.6
131.04865	1.3
131.08569	23.0
131.38467	1.1
133.06505	4.5
133.10141	9.9
135.08052	3.8
135.11678	4.4
136.06213	1.3
137.09596	1.9
141.07005	10.3
142.07753	2.3
143.08551	20.6
145.04980	4.2
145.06496	6.3
145.10106	15.9
147.08005	3.0
147.11690	3.2
149.09584	3.7
151.11209	2.0
153.07005	2.2
155.08560	14.1
157.06482	2.3
157.10139	13.3
159.08046	3.6
159.11656	8.3
161.09644	2.5
161.13254	1.3
163.06030	3.6
163.11218	3.4
165.06970	2.6
166.07780	2.3
167.08527	7.9
169.10115	10.1
170.12102	1.3
171.08057	2.9
171.11716	6.8
173.09598	2.8
173.13235	3.1
175.11192	3.6
177.12788	2.8
178.07658	1.5
179.08540	3.0
181.10097	8.5
182.10817	1.3
183.11690	5.2
185.09624	1.9
185.13248	5.9
191.08556	1.5
193.10054	3.2
195.11763	9.4
197.09598	2.0
197.13184	5.9
199.11105	2.4
199.14824	3.4
201.12723	1.7
203.14363	2.6
207.11681	3.7
209.13223	3.0
211.11296	2.0
211.14824	3.9
213.12744	3.5
213.16493	2.3
215.14331	4.0
221.13258	5.2
221.15175	1.4
223.14830	5.6
225.12752	3.2
225.16365	1.9
227.14299	1.9
231.13806	1.8
235.14922	3.2
237.16386	1.6
239.14386	3.1
241.15891	2.5
247.14822	1.6
253.15881	2.8
257.15359	1.9
259.16925	2.1
271.16983	2.2
285.18546	1.9
305.22336	1.9
315.21234	1.8
323.23697	3.1
333.22052	7.7
341.24783	5.4
351.23166	27.1
359.25528	1.6
369.19958	2.4
369.24268	24.8
387.25220	16.0
407.25671	1.8
408.94052	1.3
425.26920	6.9
426.28015	1.3
433.29239	1.7
443.27924	100.0
444.28281	4.6
460.05902	1.4
461.28961	60.5
462.29214	2.9
485.28589	2.5
503.30283	1.9
543.70087	1.6
605.33099	3.0
623.33722	2.2
658.03650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	13.6
57.03424	10.7
65.52495	4.3
67.05506	47.4
69.03429	8.5
69.07053	15.6
69.30233	41.8
74.09716	8.9
75.54157	4.4
79.05491	34.6
81.07059	41.2
83.08611	9.8
90.20601	3.8
91.05480	37.4
93.07054	44.6
95.04967	6.1
95.08622	34.7
97.06548	4.6
98.20900	17.3
105.07021	31.8
107.08578	10.8
109.06523	7.0
109.10116	6.3
117.07024	10.9
119.08587	26.1
121.10140	19.9
123.08041	5.0
131.08549	18.3
133.10124	17.6
135.08098	4.6
135.11668	9.1
145.10132	13.3
149.09712	4.6
159.11708	8.5
184.07343	12.6
219.17438	59.6
247.16878	5.3
275.20078	19.9
307.19412	9.1
307.22681	90.8
321.20566	6.0
349.23764	18.0
567.38165	5.0
580.86542	5.3
581.41913	100.0
582.42041	8.4
617.36340	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	778.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	28.5
57.03438	8.2
57.07057	4.5
67.05171	6.5
67.05504	82.7
69.07059	21.5
69.90990	9.1
69.91395	14.1
71.04961	4.9
79.05493	100.0
81.07053	69.4
83.04980	6.3
83.08614	7.0
85.33273	3.9
86.79312	4.1
89.05991	5.3
91.05483	67.3
93.07041	85.6
95.04969	8.7
95.08048	4.9
95.08604	56.2
96.92841	3.9
97.06503	8.1
98.20669	4.0
105.07050	37.0
107.04956	10.3
107.08601	45.7
109.06512	7.5
109.10180	26.9
109.10806	4.7
115.05434	5.5
117.07027	21.4
119.08584	46.8
121.10155	31.0
123.11739	7.1
131.08569	52.8
133.10143	36.9
135.08121	4.4
135.11702	28.0
141.09091	4.2
143.08549	5.7
145.10139	37.4
147.11667	9.1
149.09625	60.8
157.10072	6.1
159.11671	27.4
161.13255	4.6
169.10130	7.8
173.13223	20.4
174.63560	5.2
181.12212	5.9
184.07321	8.7
185.13243	6.9
187.11237	5.2
187.14932	4.6
201.16402	58.9
203.17950	18.1
211.14787	8.7
229.15776	21.2
247.16933	16.0
261.22247	5.9
278.18823	4.0
307.22598	15.1
321.20496	18.8
335.25842	55.2
349.23840	5.0
395.18967	4.5
499.61575	4.4
535.98077	4.2
581.42023	91.2
582.41602	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	30.8
55.95976	5.7
57.03440	14.3
57.07088	6.2
61.02934	9.7
63.61632	8.3
67.05512	84.6
69.03452	9.5
69.07065	29.2
69.39984	17.6
69.40397	34.0
79.05495	81.1
81.07063	82.3
82.56316	6.7
83.08625	18.8
85.02905	18.4
91.03941	6.2
91.05475	65.7
93.07049	78.5
95.04967	11.4
95.08614	57.2
97.02900	11.0
98.21230	25.7
103.05448	5.5
105.07030	70.5
107.08601	53.3
109.10166	31.2
117.07015	19.0
119.08562	47.4
121.10154	24.2
123.11712	12.5
129.07033	13.5
131.08601	34.0
133.10120	37.9
135.11702	28.8
143.08513	14.2
145.10153	36.9
147.11673	29.8
149.13280	13.7
155.08504	12.3
157.10176	9.5
159.11708	24.7
161.13286	24.5
163.11223	6.8
169.10136	9.6
171.11679	25.2
173.13271	22.2
175.14886	8.0
185.13261	11.5
187.14836	11.8
197.13181	7.0
199.14969	8.2
225.16180	7.8
241.19595	27.5
259.20627	51.7
333.23990	31.7
335.25793	66.4
399.85007	6.4
593.45038	8.7
611.46710	100.0
701.48212	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	773.2135
Annotation	Quercetin 3-glucosyl-(1->6)-glucosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
55.01848	0.4
57.03428	0.8
58.99583	0.4
61.02929	2.6
63.44296	0.2
67.05497	0.4
68.99790	0.3
69.03431	2.1
70.06583	0.5
71.04980	0.9
71.58357	0.3
73.02899	0.7
76.02231	2.3
79.05489	0.4
81.03422	2.8
83.04975	0.4
83.08593	0.4
84.04510	0.8
84.08163	0.6
84.88863	0.2
85.02908	9.7
85.29519	0.3
91.03973	2.1
91.05476	0.4
92.12028	0.3
93.03425	0.4
95.04948	0.8
95.08576	0.6
97.02900	3.0
99.04462	0.3
109.02859	1.0
111.00796	0.7
114.64279	0.2
115.03919	0.3
116.01659	0.5
121.02855	0.9
123.08091	0.3
127.03923	1.9
129.05458	0.5
130.03984	0.3
130.04979	0.6
136.33679	0.3
137.02347	2.9
144.01193	0.4
145.04970	2.1
149.02365	0.4
149.09586	0.4
153.01807	2.8
161.06015	0.3
162.02177	0.7
163.03889	1.2
163.06039	0.5
165.01840	1.7
166.02599	0.3
179.04802	1.9
180.05156	0.2
183.02873	0.7
183.04436	0.3
193.12218	1.4
194.12628	0.4
201.05368	1.1
207.13783	0.7
216.74094	0.3
229.04980	3.6
233.05971	0.3
247.06032	0.7
257.04404	2.3
267.15891	0.7
274.04782	0.8
275.05334	0.5
285.03983	1.1
285.16998	0.8
286.17303	0.6
303.04999	100.0
304.05368	2.0
308.09140	3.1
309.09381	1.0
345.05844	0.5
449.10828	6.5
465.10294	0.7
611.15625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
55.05504	0.3
55.58709	0.1
56.31329	0.1
57.03412	0.2
62.01583	0.2
63.02345	0.6
65.03919	0.1
68.99774	0.1
69.03432	1.0
70.06603	0.5
71.04984	0.2
71.58225	0.2
72.08145	0.2
73.02924	0.2
78.04713	0.4
79.05489	0.2
81.03415	3.3
83.04978	1.5
84.04497	0.3
84.08129	0.3
85.02897	1.2
86.06077	0.2
86.09700	0.3
89.03913	6.4
90.04272	0.1
91.05478	0.5
95.04969	0.2
97.02885	0.5
99.04458	0.4
102.05531	0.5
103.05453	0.3
105.03371	0.2
106.04187	0.4
107.04957	0.2
109.02883	1.1
110.41401	0.1
111.00830	0.2
111.04455	0.7
114.05510	0.2
117.03378	18.3
118.03668	0.2
118.06883	0.1
119.04906	0.1
120.08120	0.1
121.02861	1.5
121.06518	0.2
124.05219	0.2
127.03927	0.5
129.05502	0.3
129.10211	0.2
130.04997	0.1
130.06502	0.1
134.03615	1.7
135.04424	1.4
137.02377	0.4
137.05981	0.3
145.02841	48.5
146.03166	0.7
147.04404	0.4
149.05975	6.5
150.06369	0.1
153.01805	0.9
158.06039	0.2
161.05943	0.1
162.03204	0.1
163.03879	0.6
165.01825	0.4
177.05466	100.0
178.05807	1.8
179.04930	0.1
183.02921	0.2
185.06041	0.1
186.05479	1.1
195.06538	1.5
201.05486	0.2
213.05469	0.4
217.08331	0.1
219.06499	0.1
222.11319	0.1
229.04965	0.1
231.06473	0.2
241.04842	0.2
243.09911	0.4
258.05194	0.1
287.05493	19.8
288.05835	0.7
299.05508	1.1
300.06369	0.3
300.11908	0.3
305.10248	0.1
311.05478	0.3
321.09698	4.7
322.09946	0.1
325.06949	0.1
329.06622	1.4
339.04773	0.2
339.10751	3.8
340.11014	0.2
351.08301	0.1
353.06494	0.4
379.08237	0.4
397.09323	0.9
413.20227	0.2
415.10464	0.5
421.66934	0.1
431.13083	0.1
433.11371	0.9
449.14786	0.2
512.27368	0.1
537.82678	0.1
667.28613	0.1
729.16638	0.1
771.46423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
55.05508	0.3
57.03444	0.1
62.01599	0.1
63.02354	0.6
67.05485	0.1
68.99792	0.2
69.03436	1.0
69.38506	0.2
69.38924	0.5
70.06598	0.6
71.04972	0.3
77.03893	0.1
78.04702	0.4
79.05508	0.2
81.03419	3.1
83.04978	1.6
84.04511	0.2
84.08140	0.1
85.02901	1.2
86.09715	0.2
89.03918	6.1
91.05482	0.5
95.04978	0.1
97.02901	0.4
99.04453	0.2
103.05463	0.3
105.03413	0.1
106.04159	0.3
109.02878	1.0
111.00795	0.2
111.04472	0.6
117.03381	18.6
118.03731	0.2
119.04955	0.3
121.02872	1.5
121.06464	0.2
124.05238	0.3
127.03922	0.4
129.04559	0.1
129.05492	0.2
130.05016	0.1
133.02850	0.1
134.03639	1.4
135.04430	1.5
136.06226	0.1
137.02328	0.3
137.05981	0.2
145.02847	48.5
146.03201	0.6
147.04424	0.3
149.05983	6.5
150.06366	0.1
151.03896	0.2
153.01833	0.8
157.06445	0.2
158.06001	0.2
161.05919	0.1
162.03128	0.2
163.03908	0.6
165.01857	0.5
171.02919	0.1
177.05469	100.0
178.05798	1.6
183.02985	0.2
184.07339	0.1
185.05949	0.1
186.05539	1.2
195.06526	1.6
201.08916	0.1
213.05470	0.4
219.06500	0.1
231.06517	0.3
236.42679	0.1
241.04950	0.3
243.10300	0.2
253.06563	0.1
258.05215	0.3
259.06070	0.1
269.08026	0.1
279.08655	0.1
286.04672	0.2
287.05502	19.7
288.05801	0.4
299.05502	1.1
300.06339	0.3
305.10220	0.2
311.05441	0.3
313.06989	0.1
321.09698	4.5
322.09982	0.1
325.07077	0.2
329.06543	1.5
337.07169	0.1
339.10760	3.8
340.11258	0.1
351.08334	0.1
353.06424	0.5
379.08035	0.4
397.09177	1.0
415.10385	0.6
433.11343	1.0
749.13849	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.8
55.77504	0.7
57.03436	1.9
57.47091	0.7
61.02932	6.7
63.79521	0.6
67.05512	6.0
69.03438	2.8
69.07092	1.1
73.02921	3.6
79.05507	4.6
80.83569	0.6
81.03425	2.0
81.06450	0.7
81.07067	4.8
85.02920	5.7
88.08717	0.8
89.06052	0.9
91.03954	3.3
91.05489	2.5
93.07051	4.4
95.08621	2.9
97.02915	6.3
98.21279	4.6
99.04484	0.9
101.02385	2.5
105.07022	1.4
106.50063	0.7
107.08617	2.2
109.10173	1.9
112.87980	0.8
117.07027	0.7
117.67807	0.7
119.08613	1.6
121.10160	2.7
127.03993	1.7
131.08585	1.0
133.10143	1.3
135.11743	1.0
143.29738	0.8
144.95103	0.7
146.54449	0.7
163.19086	0.7
185.04309	1.3
203.05449	0.8
243.08495	2.5
307.22977	0.8
331.33759	0.9
356.52521	0.8
460.78741	0.8
491.26147	11.9
519.29517	3.8
563.84857	0.8
685.87708	0.7
769.48627	100.0
770.49127	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	766.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
55.05513	28.8
56.60423	1.6
57.03441	17.5
57.07080	7.3
58.03229	1.3
61.02927	3.1
65.03944	4.1
67.05505	90.2
69.03446	1.9
69.07069	36.6
71.04996	2.7
71.08600	2.5
71.49398	1.8
74.53296	1.3
77.79257	1.3
79.05056	3.4
79.05495	49.0
79.05960	2.4
81.07058	100.0
83.04984	3.6
83.08611	17.0
85.02895	3.6
85.06541	4.1
85.10177	1.6
90.82323	1.5
91.03946	2.5
91.05482	30.4
93.07050	54.5
95.04975	7.9
95.08608	65.2
97.06548	3.8
97.10164	7.1
99.08080	5.3
101.41765	1.6
105.07030	22.2
107.08595	31.2
109.06541	1.8
109.10159	24.6
111.08083	3.2
111.11689	2.5
117.07017	7.0
119.08582	16.8
121.10149	26.5
123.11720	15.2
125.09608	2.8
129.07043	1.9
131.08566	13.0
133.10138	21.5
135.11691	22.7
137.09615	3.4
137.13284	6.2
139.11176	2.1
143.08534	1.8
145.10139	13.1
147.11696	12.9
149.13287	13.2
151.14854	2.0
157.10141	1.9
159.11676	7.6
161.13261	10.6
162.64453	1.6
163.14859	4.8
171.11676	2.8
172.37408	1.3
173.13277	6.8
175.14799	4.9
177.16457	2.2
185.13280	2.9
187.14828	2.1
189.16380	2.8
205.19539	2.7
213.16504	2.6
215.17921	11.5
217.19585	6.2
231.17471	3.1
233.19008	13.7
235.20627	5.3
243.20917	1.5
259.20563	3.8
261.22128	12.0
263.23706	2.8
278.91211	1.7
279.23328	1.6
307.22668	37.5
309.24255	50.8
311.25815	4.4
317.24838	2.7
333.24338	2.1
335.25790	44.6
337.27396	43.4
339.29141	1.8
495.42038	4.1
569.45593	25.8
587.46832	18.3
672.61707	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30870	1.6
55.01865	5.0
55.05510	24.0
57.03431	6.8
57.07072	6.7
65.03930	4.5
67.05504	96.2
69.03423	12.2
69.07074	18.1
70.18764	4.6
71.01357	1.9
71.04989	6.8
73.02919	2.0
77.03941	2.6
79.05493	79.1
81.03410	10.4
81.07055	100.0
83.04969	5.3
83.08617	7.7
85.02911	11.3
85.06542	6.2
85.26537	1.4
91.04892	1.7
91.05481	56.5
93.07044	98.5
95.04982	11.5
95.08607	69.8
95.09229	1.9
97.02886	5.5
97.06521	7.4
97.10172	4.3
98.21133	3.2
99.04478	3.7
99.08079	7.4
101.67074	1.5
103.03932	2.5
105.07034	44.1
105.07758	2.3
107.04974	3.1
107.08598	53.1
107.58224	1.4
107.76365	1.5
109.02901	2.1
109.06525	6.2
109.10155	33.3
111.04463	3.6
111.08015	3.6
113.09653	3.3
115.05478	2.3
116.09939	1.5
117.07021	22.8
119.08582	30.6
121.06532	3.2
121.10145	50.1
123.04423	2.6
123.08069	4.3
123.11709	20.6
125.09639	4.6
127.03925	3.7
129.07004	6.7
130.07845	1.8
131.08575	38.7
133.06497	3.6
133.10129	33.9
135.08040	3.1
135.11691	49.2
137.09595	3.9
137.13252	4.7
139.11130	2.1
141.06969	2.0
143.08588	9.0
145.04926	3.1
145.10136	29.4
147.11693	21.9
149.09642	6.6
149.13268	29.7
151.07538	1.9
151.11195	3.0
151.14862	2.1
155.08542	3.6
157.10149	4.9
159.11691	26.5
161.13246	11.2
163.11198	4.3
163.14824	6.5
165.09041	1.8
165.12787	2.8
167.08539	1.8
169.10143	3.2
171.11702	5.6
173.09689	1.6
173.13257	21.4
175.11191	3.2
175.14816	5.0
177.12717	3.5
183.11639	3.5
185.09697	2.5
185.13283	3.1
187.14810	8.2
189.16367	2.2
195.11803	1.9
197.13321	2.3
199.14828	3.0
201.16331	2.5
203.14290	2.6
205.19539	6.5
215.17953	53.2
233.19006	52.9
243.21082	5.5
249.14804	2.3
251.20062	4.8
259.20645	3.7
261.22116	19.8
273.22098	2.5
275.19760	2.0
277.21677	4.2
285.21854	2.2
289.21716	2.3
291.23059	3.5
297.21967	2.0
303.23248	4.2
307.22665	20.5
315.23291	2.8
325.23672	8.1
327.23312	2.1
335.25970	1.6
345.24066	1.8
351.23148	3.8
359.42325	1.8
369.24179	12.7
387.25226	6.3
405.26581	10.2
423.27353	4.6
493.63397	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
55.05512	31.0
57.03443	20.0
57.07065	4.3
61.02917	6.5
65.03947	3.8
67.05506	100.0
68.74645	1.7
69.03426	2.9
69.07072	20.9
69.25007	6.9
69.25433	11.7
71.05002	2.7
71.08629	3.0
79.05494	76.9
79.05957	3.7
80.08665	1.8
81.07058	89.6
83.04993	2.3
83.08627	12.2
85.02907	5.2
85.06549	4.7
91.05481	45.4
93.07044	81.7
95.05000	9.9
95.08609	70.3
97.02867	3.4
97.06531	2.8
97.10174	5.9
98.20699	3.8
98.21384	6.2
99.08084	3.6
103.16074	1.6
105.07030	30.6
107.08601	33.3
109.06525	4.1
109.10156	31.4
117.07031	9.5
119.08595	27.6
121.10146	40.9
121.11026	2.6
123.08095	2.0
123.11713	14.1
125.09672	1.9
129.07027	3.4
131.08574	22.5
133.10141	26.3
134.10493	2.0
135.08147	2.2
135.11691	33.7
137.13295	3.5
143.08578	4.9
145.10115	18.3
147.11665	18.6
149.13271	15.2
157.10126	5.0
159.11711	14.8
161.13295	9.6
163.11214	2.2
163.14833	4.1
171.11665	4.9
173.13225	12.5
175.14880	6.4
177.16359	2.3
187.14821	5.7
189.16312	3.2
201.16422	2.2
203.17877	2.8
205.19589	1.9
213.16476	5.9
215.17963	21.5
217.19594	2.8
231.17441	5.8
233.19051	14.4
241.19539	2.4
243.21077	2.4
259.20770	4.2
261.22122	13.0
305.21106	3.8
307.22675	86.9
308.23117	2.6
309.24240	6.3
333.24274	3.6
335.25812	82.2
336.26117	3.3
337.27481	6.7
493.40140	2.5
567.44049	21.8
585.44897	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	760.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26004	1.1
54.32235	1.5
55.05521	1.5
66.79716	1.1
67.05505	5.0
67.42268	1.2
69.07092	1.3
70.32005	5.1
73.02893	1.5
76.42056	1.2
79.05484	2.8
81.03408	2.4
81.07054	4.1
83.33385	1.2
91.05464	4.1
91.64799	1.2
92.05007	6.9
93.07036	2.7
95.08607	3.0
95.60918	1.4
98.20807	1.3
98.21376	1.5
105.07060	1.7
106.06588	1.6
107.46462	1.4
117.05775	2.5
118.06551	18.5
118.07347	1.6
119.08609	1.2
120.08095	1.4
130.06554	1.9
132.08101	3.0
134.09708	1.6
152.77164	1.3
162.09155	17.9
162.89670	1.3
163.09927	6.0
176.10826	1.6
202.15913	4.6
230.15390	27.5
230.17490	1.6
248.16603	3.1
257.58392	1.3
274.17957	1.8
292.19070	88.2
293.19376	2.7
304.19202	1.7
322.20078	1.4
348.21939	2.4
510.27261	8.0
510.34689	1.6
598.40778	3.0
760.46326	100.0
761.46606	6.5
761.60815	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.4
55.05512	23.1
57.03428	5.5
57.07066	7.2
58.70755	1.4
63.53081	1.6
65.03939	6.1
66.17761	1.4
67.05505	82.6
69.03426	12.6
69.07072	21.8
69.93398	3.9
69.93794	2.9
71.05005	8.4
71.08634	1.7
77.03941	1.4
79.05001	1.3
79.05494	85.4
81.03427	15.0
81.07057	91.1
82.07375	1.4
83.04981	6.0
83.08608	10.4
85.02907	15.4
85.06543	6.1
87.04436	1.6
91.05480	52.2
93.07044	100.0
95.04975	12.3
95.08604	71.3
97.02895	10.4
97.06545	7.3
97.10172	6.2
98.21183	4.0
99.04465	5.3
99.08096	8.2
103.03927	1.8
103.05470	1.7
104.92999	1.2
105.04514	2.2
105.07031	48.1
105.09856	1.5
107.04975	3.0
107.07862	2.8
107.08595	58.4
108.04499	1.6
109.02871	2.6
109.06512	6.2
109.10159	36.2
111.04436	6.6
111.08101	4.7
111.11821	2.0
113.09650	2.8
115.03997	1.6
115.05475	1.4
117.07026	22.4
119.08583	38.0
121.06522	2.9
121.10146	58.8
123.04391	1.8
123.08069	4.5
123.11712	18.3
125.09629	4.6
127.03920	6.0
128.06235	2.9
129.05507	1.8
129.07008	9.8
131.08568	43.6
133.06483	3.4
133.10132	31.8
133.11076	2.9
135.08037	3.5
135.11697	52.9
135.69325	1.5
136.12079	1.5
137.09619	5.3
137.13271	7.0
139.11191	2.7
141.06993	2.4
142.07834	2.1
143.08548	11.4
144.93753	1.7
145.04922	1.8
145.06447	2.3
145.10133	37.4
147.11699	25.5
149.09613	5.9
149.13258	33.4
151.07581	1.8
151.11172	3.4
155.08563	3.3
157.06461	1.7
157.10086	8.4
159.08063	3.7
159.11705	30.3
161.09639	2.8
161.13292	12.5
163.11186	5.2
163.14769	6.8
165.12845	2.2
169.03893	1.4
169.08723	1.4
169.10117	4.6
171.08142	2.5
171.11746	7.8
173.09622	2.8
173.13266	24.4
175.11209	3.1
175.14867	5.6
177.12796	4.5
177.16402	2.6
181.10149	2.7
183.11742	5.7
185.09566	1.6
185.13226	7.3
187.11198	4.5
187.14804	10.9
189.16426	2.3
195.11700	2.6
197.13278	3.1
199.11174	2.4
199.14833	4.1
201.16364	1.9
203.14391	2.0
205.19524	7.0
209.13263	3.1
211.14989	1.6
213.12856	1.8
213.16476	3.0
215.17952	50.7
227.14441	2.2
229.12395	1.6
231.17436	2.9
233.15421	2.4
233.19005	46.6
234.19412	2.0
243.21095	12.7
249.14781	1.9
251.19908	2.6
255.21046	1.5
259.20630	5.1
261.22165	35.2
263.19983	2.0
271.20547	2.2
275.20126	2.9
277.21655	3.5
285.22232	1.6
289.21744	2.6
291.23303	4.2
301.21500	3.1
303.23184	5.4
307.22687	6.2
313.21652	1.9
315.23273	3.8
317.24838	1.9
325.23737	7.9
327.23221	3.1
331.22559	1.9
335.25952	2.1
341.21014	3.3
341.24661	3.7
345.24112	2.3
351.23148	6.2
353.26791	4.1
359.22189	2.9
369.24194	14.0
377.23203	3.0
387.25262	9.7
405.26379	10.1
423.27493	5.6
479.45270	1.7
591.92273	1.4
604.72937	1.9
697.45819	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.6
55.01871	4.7
55.05505	23.1
57.03435	15.3
57.07059	2.8
61.02915	6.7
65.03944	5.7
65.71146	2.9
67.05167	4.9
67.05508	72.7
69.03429	5.5
69.07073	32.8
69.50031	15.5
71.04985	3.4
73.02919	3.1
73.06564	2.4
79.05492	58.8
81.03399	5.0
81.07059	65.3
83.04970	5.1
83.08627	12.6
85.02887	5.7
85.06531	6.0
86.09696	5.6
90.85059	2.8
91.03965	2.7
91.05479	76.7
93.07041	57.2
95.04964	13.8
95.08611	34.1
97.02915	4.3
97.06533	9.9
97.10146	2.5
98.20770	6.0
103.05473	7.3
105.06383	4.2
105.07033	44.7
107.04945	5.7
107.08605	24.8
109.06507	10.6
109.10162	18.8
111.08069	4.9
113.05978	5.6
115.05451	7.5
116.06230	2.6
117.07006	27.0
119.08588	48.0
121.06490	13.0
121.10160	18.1
123.08096	11.7
123.11675	3.9
124.65868	2.3
125.00016	3.0
128.06227	33.4
129.07016	34.4
130.07809	2.2
131.08568	59.0
133.06494	21.5
133.10120	16.4
135.08052	27.6
135.11717	4.9
137.09579	4.5
139.07501	5.2
141.06998	7.8
142.07713	4.6
143.08563	85.0
145.06474	3.7
145.10132	25.6
147.08061	33.2
147.11736	4.0
149.09656	20.3
149.13229	3.9
151.07513	3.9
155.08543	11.9
157.10132	23.5
159.08047	8.8
159.11703	5.4
161.09615	12.2
165.07100	3.4
166.07787	3.3
167.08560	13.7
168.09312	7.0
169.10178	4.3
171.08055	7.9
171.11710	9.3
173.09636	9.6
173.13263	5.1
179.08542	3.7
181.10138	12.2
183.11694	10.7
184.07347	10.8
185.09662	9.7
185.13252	8.8
199.14801	22.3
203.10670	3.4
209.13271	23.6
212.11989	2.6
217.15955	8.4
227.14291	51.7
245.15381	50.2
263.16525	3.0
301.17761	5.8
319.19043	32.7
335.25806	100.0
336.26279	3.8
384.61105	2.8
447.30792	3.9
579.40405	37.3
617.32318	2.6
759.41998	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	760.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.9
61.02908	0.7
63.30759	0.5
65.03907	1.5
67.05469	2.0
69.03399	1.0
69.07047	1.3
73.02869	1.5
79.05450	2.2
81.07016	1.5
85.02847	0.9
86.59707	0.6
88.15650	0.7
91.05437	2.5
92.05002	5.7
93.05748	1.7
93.07008	1.6
95.08575	1.3
97.02884	1.0
98.21507	1.6
106.06564	3.1
107.08550	0.8
108.49096	0.6
117.05702	1.6
118.05703	1.0
118.06538	17.7
119.07260	2.0
119.08517	0.5
120.04464	3.7
120.08043	0.9
121.10075	0.7
130.06503	2.1
131.07274	0.8
131.08641	0.5
132.08049	1.8
142.06464	0.9
144.08040	0.8
145.08859	0.7
145.10036	0.5
146.09666	0.8
149.01274	0.8
149.02356	7.5
158.09627	1.1
160.07448	0.6
162.07799	1.1
162.09149	18.0
163.09908	4.4
164.10735	0.6
174.12762	2.2
176.10680	2.3
184.07326	0.7
184.11203	1.3
193.04964	6.9
194.05316	0.6
202.12270	23.8
220.13344	8.5
234.14868	1.2
246.14832	0.8
264.15948	89.1
265.16302	2.1
276.16013	1.4
292.18994	2.3
294.17148	1.6
304.18866	1.0
320.18604	1.6
331.64456	0.5
338.19598	1.0
385.09265	0.9
408.68002	0.6
482.24146	4.9
571.47473	0.8
577.13629	1.0
598.40845	3.9
760.46277	100.0
761.46851	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	757.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
56.05050	1.3
57.42751	1.3
57.89740	1.3
59.72998	1.2
60.08158	5.8
66.38029	1.3
70.89992	2.8
71.07373	4.4
79.05485	2.1
81.07053	1.4
82.85768	1.4
86.09706	33.4
87.10036	3.9
93.07036	1.4
95.08610	1.8
98.98458	3.0
104.10775	2.1
105.07021	1.9
107.08595	1.6
119.08610	1.7
125.00008	22.9
126.00435	1.8
156.79796	1.4
184.07341	100.0
185.07669	10.5
215.30334	1.5
294.00815	1.5
299.38620	1.4
383.53537	1.3
585.45239	7.3
628.03528	1.5
645.47119	1.9
665.03510	1.8
757.42816	61.6
758.42365	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01854	3.1
55.05507	20.6
56.08203	3.0
57.03437	6.4
57.07070	13.2
61.02920	5.2
61.67833	3.2
67.05509	32.6
69.03429	20.9
69.07072	54.3
70.06590	14.7
70.73946	9.2
70.75716	3.4
71.05002	4.9
71.08643	4.9
72.08176	6.2
73.02914	4.5
79.05477	12.1
81.03407	16.8
81.07061	93.5
83.08628	30.2
84.04495	4.1
84.08134	6.1
85.02902	50.1
85.06544	13.3
86.09715	9.3
87.00837	23.3
91.05484	5.7
93.07058	19.4
93.07539	3.6
95.08611	100.0
97.02895	19.4
97.06506	3.2
97.10175	21.6
99.04452	8.7
99.08096	10.1
105.01848	24.2
105.07047	7.7
107.08568	18.4
109.02882	15.6
109.10154	63.0
110.07188	3.6
111.08092	3.6
111.11734	21.6
119.08602	6.3
120.08082	3.1
121.10177	14.9
123.04456	3.6
123.11717	25.4
125.13271	6.9
127.03912	40.8
127.11231	6.1
130.06555	3.8
133.10051	4.0
135.04459	4.6
135.11694	15.8
136.07654	3.9
137.05960	4.9
137.13284	15.3
143.14301	3.9
145.04991	10.7
149.13257	19.4
151.14827	24.9
153.12791	4.5
159.02953	4.5
159.11594	3.4
163.03876	15.6
163.14851	11.8
165.16415	10.9
173.09671	3.7
179.17970	5.0
205.19649	4.9
219.21107	4.2
231.05019	9.7
249.06125	6.0
275.27429	7.8
281.28473	7.0
287.05563	11.9
291.26758	3.4
293.28360	31.0
311.29407	32.2
329.30484	6.0
334.17471	3.2
383.29333	6.7
401.30429	8.5
505.31519	6.3
523.32678	6.1
592.41998	3.9
694.06055	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	757.2183
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01835	0.3
57.03423	0.5
61.02931	2.8
68.99799	0.4
69.03429	1.3
70.06580	0.4
70.49478	0.2
70.49836	0.5
71.04981	0.7
71.53481	0.2
73.02908	0.6
81.03427	0.4
83.04984	0.3
84.04476	0.3
84.08124	0.5
85.02909	7.0
87.04453	0.2
91.03947	1.3
97.02891	2.6
98.21001	0.3
99.04443	0.3
102.05528	0.3
107.04935	0.3
109.02858	0.5
111.00798	0.7
111.04445	0.3
115.03917	0.2
121.02872	2.1
127.03916	1.3
129.05478	0.4
129.10277	0.4
133.02869	0.4
133.04958	0.2
135.04465	0.3
137.02333	0.7
145.04967	1.9
145.06091	0.2
145.06508	0.2
147.04405	0.7
147.06525	0.2
148.92851	0.1
153.00682	0.3
153.01836	2.8
157.06454	0.3
163.06020	0.3
165.01875	1.4
171.04420	0.2
183.02884	0.7
185.05992	0.5
189.25137	0.2
213.05396	1.2
219.96472	0.2
226.15457	0.3
231.06569	0.6
241.05008	0.9
243.06583	0.2
245.04271	0.2
258.05219	0.8
259.05994	0.5
269.04248	0.2
287.05499	100.0
288.05826	2.4
303.04904	0.6
329.06625	0.2
343.42093	0.2
433.11343	4.8
449.10495	0.3
595.16412	0.3
672.18884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2184
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03941	0.2
55.01863	0.3
57.03441	0.8
61.02927	1.0
65.76431	0.1
68.99792	0.3
69.03077	0.1
69.03432	2.6
70.83617	0.3
71.05000	0.8
73.02930	0.5
81.03419	1.0
83.01325	0.1
83.04967	0.1
85.02908	13.3
86.03233	0.1
87.04472	0.2
89.09111	0.1
91.03940	0.4
97.02895	3.3
98.66147	0.1
99.04476	0.6
103.03956	0.2
105.03369	0.1
107.04952	0.2
109.02888	1.1
111.00797	0.4
115.03870	0.1
121.02890	1.6
127.03916	2.9
129.05464	0.5
133.02875	0.3
135.04373	0.1
137.02316	0.4
145.04962	2.8
147.04402	0.4
153.01828	2.6
157.06468	0.1
163.03891	0.2
163.06059	0.3
165.01846	1.3
171.04442	0.1
183.02899	0.5
185.05972	0.3
197.05989	0.1
213.05505	1.0
221.38571	0.1
231.06537	0.5
241.05026	0.6
243.06589	0.1
258.05273	0.7
259.05966	0.4
259.72980	0.1
271.05951	0.8
272.06387	0.6
273.06613	0.4
287.05496	100.0
288.05817	2.7
303.05026	0.2
329.06555	0.2
433.11334	5.7
434.11826	0.2
493.93561	0.1
496.42352	0.1
551.92590	0.1
770.70490	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1973
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.00314	0.1
53.03714	0.1
53.03945	0.3
53.09929	0.1
55.01865	0.1
55.05505	0.2
57.03436	0.2
62.01600	0.1
63.02360	0.5
65.03938	0.1
66.92327	0.1
68.99790	0.2
69.03435	1.1
70.06586	0.1
70.90376	0.1
70.90712	0.1
71.04996	0.1
73.02912	0.1
77.03940	0.1
79.05494	0.9
79.24869	0.1
81.03416	3.1
83.04986	1.3
85.02904	1.1
89.03915	5.7
91.05522	0.1
95.04975	0.3
97.02879	0.5
98.21200	0.1
99.04459	0.3
107.04954	1.9
109.02884	1.2
111.00849	0.1
111.04450	0.7
117.03378	7.0
118.03715	0.1
121.02867	1.6
123.04414	0.1
127.03886	0.5
129.05493	0.2
133.02835	0.2
134.03596	0.1
135.04414	15.1
136.04747	0.2
137.02351	0.3
138.84677	0.1
145.02844	11.4
146.03262	0.2
147.04405	0.2
149.05910	0.1
151.03839	0.1
153.01820	0.9
153.79192	0.1
157.06502	0.1
163.03902	100.0
164.04242	1.7
165.01811	0.4
171.04492	0.1
175.03804	0.1
176.02347	0.1
177.05580	0.1
181.04959	3.4
182.05502	0.1
183.02963	0.2
185.06058	0.1
186.05533	0.2
213.05466	0.5
222.51210	0.1
229.05032	0.1
229.08720	0.1
231.06502	0.1
241.04967	0.2
243.06404	0.1
245.04509	0.1
255.06303	0.1
258.05289	0.3
259.06055	0.1
269.04562	0.1
273.07617	0.3
283.05978	0.1
286.04611	0.1
287.05493	21.0
288.05774	0.6
291.08774	0.1
299.05484	1.6
300.06268	0.2
307.08118	3.9
308.08493	0.2
309.09760	0.1
311.05573	0.4
313.07062	0.2
325.09311	2.8
326.09702	0.1
327.08450	0.1
329.06543	1.9
330.06830	0.1
337.06921	0.2
351.08749	0.2
353.06497	0.7
355.08081	0.1
379.08261	0.5
397.09152	1.4
412.45996	0.1
415.10208	0.9
417.11337	0.2
428.25537	0.1
433.11288	1.8
435.12704	0.2
469.93631	0.1
577.14703	0.1
595.16632	0.2
725.64148	0.1
789.13031	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01874	0.1
55.05507	0.3
57.03432	0.2
62.01584	0.1
63.02106	0.1
63.02340	0.5
68.99786	0.2
69.03438	1.1
70.06588	0.3
71.02926	0.2
71.03288	0.2
71.04984	0.2
73.02917	0.1
77.03966	0.1
79.05485	0.8
81.03421	3.0
81.03904	0.2
83.04982	1.8
85.02911	1.4
86.09705	0.1
89.03916	5.5
91.05494	0.1
95.04987	0.3
97.02902	0.5
99.04465	0.3
105.03401	0.1
107.04962	1.7
109.02874	0.9
111.00818	0.2
111.04428	0.8
117.03381	6.7
119.04907	0.1
121.02866	1.9
122.03181	0.1
127.03911	0.5
129.05482	0.4
130.06557	0.1
133.02863	0.3
135.04419	15.7
136.04730	0.3
137.02319	0.3
139.03891	0.1
145.02847	11.4
146.03204	0.2
147.04405	0.4
151.03886	0.2
153.01814	0.9
163.03906	100.0
164.04250	1.3
165.01894	0.5
177.05569	0.1
181.04958	3.4
183.02881	0.2
186.05508	0.2
189.05515	0.1
199.03842	0.1
203.07016	0.1
213.05457	0.2
231.06586	0.2
235.90089	0.1
241.04901	0.3
257.04623	0.2
258.05170	0.4
259.05969	0.3
265.07129	0.1
273.07651	0.2
283.05966	0.2
287.05499	22.2
288.05875	1.1
289.06110	0.5
291.08719	0.1
299.05545	1.3
300.06284	0.2
307.08130	3.9
308.08661	0.1
311.05396	0.2
313.06918	0.1
325.09271	2.8
329.06540	1.5
351.08524	0.2
353.06558	0.6
379.08078	0.5
393.08755	0.2
397.09225	1.0
407.07208	0.1
415.10086	0.7
419.07834	0.1
420.07825	0.4
421.08203	0.4
433.11182	1.3
435.12515	0.3
447.07089	0.2
449.07898	0.3
595.16571	0.2
610.12878	0.1
611.12256	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01855	0.9
55.05266	0.4
55.05509	6.2
57.03442	1.7
60.68639	0.4
65.03921	1.6
68.99779	1.6
69.03435	2.5
70.06586	2.4
71.04989	2.6
71.57938	0.5
72.08144	0.5
73.02905	1.1
77.03929	0.4
79.05488	0.7
79.10725	0.4
81.03036	0.4
81.03419	3.6
83.01291	0.4
83.04982	32.2
84.04484	1.0
84.08157	1.7
85.02905	15.9
86.09698	3.2
87.04428	0.5
87.09998	0.4
89.03883	0.5
90.53188	0.4
91.05425	0.6
93.03423	0.4
95.04971	0.6
97.02882	2.1
99.04440	0.7
101.07130	0.5
102.30169	0.3
103.05445	0.5
105.03378	2.3
107.04942	1.0
109.02875	2.8
111.00794	0.9
111.04441	6.0
117.03349	0.6
119.04919	0.7
120.08116	1.8
121.02869	27.2
121.03831	1.0
121.08420	0.3
123.04408	0.7
127.03934	1.9
129.05484	10.2
129.06993	0.4
129.10207	1.0
131.04892	0.7
133.02837	3.8
134.03589	1.0
135.04410	1.9
136.07567	1.0
137.02347	3.1
139.03908	0.9
145.02869	1.2
145.06494	0.6
147.04388	2.8
147.12756	0.4
151.03853	0.9
153.01831	5.4
157.06493	0.8
159.04346	0.4
161.02319	0.6
161.05949	0.7
163.03918	8.7
165.01846	2.8
171.04404	1.1
173.02269	0.4
173.05856	0.4
175.03905	0.7
179.03416	1.7
183.02882	1.1
183.04369	0.6
185.05983	1.2
187.03915	1.0
189.05432	1.3
197.05989	0.8
199.03954	0.6
199.77045	0.4
201.05389	0.7
203.03387	1.0
211.03882	0.9
213.05470	3.0
215.03401	1.0
215.08557	0.4
225.05449	0.7
229.04938	1.8
231.06546	1.4
233.16289	0.4
239.03419	0.7
241.04982	3.6
253.04935	1.2
257.04465	10.5
258.05246	2.6
259.05927	1.0
261.09235	0.5
269.04486	2.1
271.07834	0.7
277.07104	0.6
281.04471	1.7
285.04013	2.7
286.04639	2.4
287.05499	100.0
288.05881	2.3
289.03448	1.4
289.08621	1.0
299.05627	1.3
300.07596	0.7
305.06528	0.4
309.03949	0.9
310.04791	1.0
311.05432	1.1
317.08066	1.6
325.03394	0.5
327.05023	1.7
337.03409	0.9
345.07623	2.6
349.06909	0.5
363.08646	1.2
373.07083	4.1
377.06476	0.8
391.08118	24.7
392.08551	0.7
401.06638	1.1
403.07965	0.5
405.05981	5.1
418.06888	1.0
419.07608	57.8
420.08051	2.4
421.09103	4.8
425.23581	0.4
429.05920	1.6
431.07761	1.0
446.06137	0.5
447.07114	28.8
448.07431	0.9
459.07379	1.3
461.08356	0.6
465.08182	5.0
529.11420	0.7
539.09100	0.8
557.10852	0.8
573.10303	0.6
591.11310	3.4
609.12341	19.1
610.12665	0.7
627.13318	0.9
633.12311	0.4
701.15063	0.4
755.17682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
55.01846	0.8
55.05510	5.5
57.03448	1.3
61.02901	0.3
65.03914	0.9
67.05492	0.3
68.99779	1.6
69.03439	2.3
69.94668	1.1
70.06586	1.3
71.01336	0.4
71.04991	2.5
73.02898	0.6
76.20049	0.3
77.03929	0.6
79.05460	0.6
81.03417	3.1
83.04982	30.6
84.05264	0.4
85.02905	15.6
86.09678	0.5
87.04442	0.7
89.03876	0.7
91.77210	0.2
95.04927	0.6
97.02912	1.4
97.03423	0.3
98.20746	0.3
99.04438	0.6
99.17658	0.3
100.90031	0.3
105.03384	1.9
107.04971	1.4
109.02876	2.5
111.00764	1.2
111.03712	0.4
111.04445	6.9
115.05464	0.4
117.03352	0.8
121.02872	26.5
121.03882	0.8
122.03157	0.4
123.04391	1.1
127.03924	1.7
129.05484	9.0
129.06918	0.4
131.04958	0.6
133.02855	4.1
134.03592	0.8
135.04402	1.6
137.02336	3.4
139.03923	0.7
143.04865	0.4
145.02829	1.1
145.04901	0.3
145.06464	0.5
147.04399	2.6
149.02290	0.3
149.73593	0.3
151.03850	0.5
153.01822	6.1
157.06429	0.7
161.05986	0.8
162.03072	0.3
163.03909	8.0
165.01831	3.1
167.04817	0.4
169.06464	0.4
171.04373	0.9
173.05879	0.6
175.03857	0.7
179.03406	1.2
181.05077	0.3
183.01483	0.3
183.02879	1.6
183.04395	0.5
185.05959	1.2
187.03905	1.1
189.05426	1.0
191.03342	0.3
197.05936	1.1
199.03885	0.5
201.05429	0.5
203.03322	0.9
203.06921	0.4
211.03944	0.7
213.05402	2.2
215.03397	1.0
225.05450	0.9
227.03226	0.3
229.04933	1.9
231.06462	1.1
236.37268	0.3
239.03392	0.8
241.04968	3.0
243.02827	0.4
243.06383	0.4
251.03333	0.4
253.04898	0.8
257.04465	10.6
258.05243	2.0
259.05981	0.9
269.04489	2.1
271.07687	0.5
277.07037	0.6
281.04431	1.2
283.02811	0.3
285.03989	1.7
286.04715	2.2
287.05493	100.0
288.05841	2.2
289.03433	1.0
289.08563	0.8
297.03848	0.6
299.05304	1.6
305.06552	0.4
307.08121	0.4
309.03857	0.4
310.04880	0.6
311.05493	0.9
315.05124	0.3
317.08044	1.2
325.03336	0.6
327.04803	1.3
331.05969	0.3
335.09167	0.9
337.03378	0.7
345.07571	3.0
349.07166	0.3
355.04327	0.5
359.05710	0.4
363.08514	0.8
373.07101	3.6
377.06534	0.9
391.08112	24.3
392.08557	1.1
398.19315	0.3
401.06433	0.5
403.08310	0.7
405.06009	5.5
418.06696	0.9
419.07611	56.4
420.08124	2.6
421.09140	4.6
429.05997	1.8
431.07684	0.9
433.09183	0.5
446.06372	0.4
447.07108	27.7
448.07526	0.7
459.07306	1.1
461.08731	0.7
465.08191	4.9
507.08893	0.3
511.10126	0.7
515.09662	0.5
529.11053	0.7
539.09796	1.1
557.10791	1.0
573.09833	0.5
591.11334	3.8
609.12360	18.0
610.12469	0.7
627.13293	0.8
651.12946	0.3
701.15063	0.5
755.17957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01854	0.6
55.05510	5.7
57.03405	1.2
65.03918	1.2
67.05495	0.6
67.46325	0.4
67.87915	0.4
68.99781	1.6
69.03430	2.3
69.89625	0.9
69.90023	1.0
70.06248	0.5
70.06593	6.2
71.04983	2.6
72.08126	1.4
73.02893	0.7
74.97681	0.3
77.03871	0.5
81.03426	3.0
83.04982	33.9
84.04501	0.5
84.08150	0.6
84.87480	0.4
85.02905	15.3
86.09712	2.1
87.04442	0.8
95.04964	0.7
97.02864	1.7
98.21083	1.1
99.04441	0.8
105.03370	2.0
107.04982	0.9
109.02901	2.1
111.00783	1.0
111.04438	6.6
111.79064	0.4
117.03367	0.7
120.08056	0.5
121.02872	28.3
123.04392	0.7
127.03931	2.0
127.08650	1.6
129.05487	9.8
129.06915	0.5
131.04895	0.7
133.02875	3.7
134.03603	1.3
135.04375	1.8
137.02371	3.0
139.03894	1.0
139.05385	0.4
143.04861	0.4
145.02792	1.2
147.04437	2.8
153.01820	5.6
155.08118	1.7
157.06416	0.7
161.02272	0.4
161.05884	0.8
163.03896	8.0
165.01825	2.8
169.13347	1.7
171.04379	0.8
173.05966	0.6
175.03946	0.8
179.03391	1.3
183.02834	1.5
183.04311	0.5
185.05971	1.1
187.03839	0.9
189.05443	0.8
197.05983	1.1
197.12796	0.7
199.03848	0.7
203.03426	1.0
211.03937	0.7
213.05470	3.1
215.03391	0.9
217.04944	0.4
224.08769	0.4
225.05428	0.9
226.15448	0.6
227.03407	0.5
229.04948	1.7
231.06523	1.6
241.04907	2.7
242.83910	0.5
253.04922	1.2
254.14978	0.8
257.04462	11.4
258.05164	2.4
259.06119	0.8
269.04440	1.9
271.07587	1.0
281.04422	1.7
281.07587	0.5
283.07916	0.6
285.03839	2.3
286.04745	2.2
287.05502	100.0
288.05731	3.0
289.03418	1.4
289.08661	0.8
297.03815	0.5
299.05643	1.7
309.04080	0.9
310.04721	0.9
311.05414	1.2
317.07953	1.2
321.07501	0.6
327.05463	0.8
337.03741	0.5
345.07590	2.5
363.08707	1.1
373.07010	3.7
377.06409	1.1
391.08112	24.7
392.08444	0.9
401.06622	1.3
403.08182	0.7
405.06030	4.7
418.06863	0.8
419.07626	60.7
420.07916	2.1
421.09082	4.1
429.06088	1.8
431.07742	1.2
438.26773	0.5
447.07117	28.9
448.07379	0.8
459.07147	1.5
461.08658	0.7
465.08029	5.2
509.34430	0.5
515.09961	0.5
529.11139	0.7
537.33862	0.9
539.09528	1.0
557.10870	0.9
591.11279	4.2
609.12390	21.0
610.12238	0.6
627.13208	1.0
755.18140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.3
55.01869	3.6
55.05513	18.3
57.03444	19.4
61.02918	3.4
62.74017	2.9
67.05511	58.0
69.03406	4.2
69.07065	15.5
71.05004	5.7
71.57734	3.0
78.54079	3.0
79.05502	52.0
81.03424	76.6
81.07069	52.9
83.05005	5.3
83.08636	22.3
85.06548	4.3
91.05492	38.2
93.07051	59.3
95.04978	26.4
95.08614	25.7
97.02886	4.1
97.10182	6.4
105.07037	34.1
107.04897	5.0
107.08613	22.6
109.06516	5.9
109.10147	17.7
111.08076	9.4
115.59405	2.9
117.07029	10.3
119.08598	27.4
121.05151	3.1
121.06480	4.1
121.10146	33.0
121.81513	2.8
123.08076	3.8
123.11761	4.1
125.09615	5.3
129.07013	7.2
131.08600	18.1
133.10143	18.3
135.08052	4.1
135.11711	23.3
145.10118	14.6
147.11691	23.9
149.09660	7.2
149.13271	7.5
157.10136	12.8
159.11725	9.2
161.13234	3.5
165.12645	3.8
171.11668	5.2
173.13271	9.8
175.11215	6.8
184.07484	4.3
185.13228	3.6
193.12268	19.1
205.19675	3.7
215.17995	21.3
227.12769	6.0
233.19038	22.2
267.15927	100.0
273.22250	7.3
285.17029	4.1
307.22699	82.2
425.30508	11.4
499.34232	50.7
517.35229	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	746.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01871	2.9
55.05511	11.8
55.28559	1.0
57.03433	13.9
57.07069	2.9
61.02925	1.4
65.03942	1.8
66.03758	1.1
67.05507	38.4
69.03437	2.3
69.07068	11.5
69.45076	8.6
71.01385	1.3
71.04986	2.9
75.39781	0.9
79.05051	1.9
79.05492	25.7
81.03420	100.0
81.07058	39.4
81.07462	0.8
83.05028	5.2
83.08617	5.0
85.02908	1.8
85.06556	2.0
89.06030	2.2
91.05036	0.9
91.05481	30.3
93.07047	30.2
95.04969	6.2
95.08607	32.8
95.72780	1.1
97.02856	2.7
97.06532	3.8
97.10169	1.5
99.08075	1.5
105.04579	1.2
105.07038	11.7
106.05009	1.1
107.04927	1.2
107.08598	18.4
109.06526	3.3
109.10162	12.3
117.07029	7.1
119.08585	26.8
121.06512	5.1
121.10152	12.2
123.08086	4.1
123.11710	4.0
125.09657	1.1
129.07019	2.9
131.08556	7.6
133.08588	1.8
133.10112	7.4
135.08043	4.6
135.11700	6.2
137.09613	16.9
143.07040	2.7
143.08560	3.3
144.26167	1.0
145.10150	7.7
146.17229	1.2
147.08057	5.9
147.11700	5.8
149.09578	2.0
149.13326	6.0
157.10149	2.8
159.11674	6.3
161.13275	3.3
163.07562	1.3
163.14839	2.6
165.09122	19.3
169.10124	2.7
171.11722	2.6
173.13266	3.8
175.14787	2.4
179.08656	1.2
183.11720	2.3
184.07343	2.5
185.13350	1.4
187.14827	3.2
195.11627	1.2
197.13286	1.5
199.09625	3.7
199.14845	1.5
207.13762	1.4
220.73106	1.1
225.22241	1.3
227.20055	14.3
233.15294	1.5
239.12779	64.7
243.21103	2.9
261.22131	9.1
285.22159	1.2
301.25345	3.3
317.24860	2.3
335.25800	43.6
389.28568	2.2
401.27396	1.2
407.29385	5.7
425.30499	7.2
443.31546	1.8
481.32990	2.3
494.67926	1.2
499.27017	2.3
499.34192	42.2
500.34647	2.2
517.35291	30.4
531.36652	3.1
541.34979	1.3
549.55328	1.1
616.84296	1.3
746.48254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.0
55.01874	6.1
55.05513	32.2
57.03431	16.7
61.02924	11.3
61.64668	3.5
65.03931	5.9
67.05502	83.8
69.03416	12.1
69.07072	22.9
71.04991	6.3
71.08624	4.3
73.02903	9.2
79.05050	8.1
79.05491	92.4
81.03419	6.7
81.07053	85.8
83.04987	6.5
83.08615	16.6
85.02930	11.0
85.06561	4.0
91.03938	4.9
91.05478	71.2
93.00990	3.7
93.07045	100.0
95.04966	11.6
95.08598	59.6
97.02885	7.8
97.06536	6.0
97.10169	3.7
98.21281	22.9
99.04488	5.4
103.41679	3.6
105.07033	59.4
107.08588	32.8
109.06499	5.3
109.10153	20.2
111.08079	3.9
115.05477	6.2
117.06973	23.5
119.08576	54.3
121.06496	3.4
121.10150	53.2
123.08054	4.8
123.11725	7.3
129.06967	17.8
131.08588	38.9
133.10130	49.5
135.11694	25.4
137.09633	4.5
142.07806	5.7
143.08551	17.9
145.10118	35.3
147.11699	46.1
149.13268	15.0
149.83363	3.5
153.17171	4.0
155.08566	10.5
156.09360	6.2
157.10141	21.0
159.11681	22.6
161.13264	22.8
163.11192	3.6
164.02075	3.6
169.10115	9.2
171.11676	18.9
173.13263	17.2
175.14854	10.9
183.11676	9.4
185.13258	17.0
187.14835	11.8
195.11710	4.3
197.13326	9.2
199.14771	10.8
201.16383	3.7
209.13145	4.1
213.16388	7.8
215.18024	12.5
223.14745	4.6
231.17455	8.0
233.18913	5.0
241.19539	15.9
257.19040	7.6
259.20639	39.2
261.22159	4.6
305.21268	9.0
307.19412	8.5
307.22690	71.8
323.22177	4.6
333.24149	27.5
335.25793	7.7
339.68445	3.9
367.22864	3.9
386.51477	3.9
386.56555	3.9
565.43005	6.9
583.43549	83.8
584.43726	6.6
607.45111	4.0
673.44031	6.7
709.46240	8.1
727.47125	7.6
745.49243	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	745.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.2
55.01862	4.9
55.05511	32.7
57.03434	12.2
57.07071	5.7
61.02934	15.3
65.03945	4.2
67.05166	4.8
67.05510	91.5
69.03428	9.4
69.07072	29.5
69.24506	29.4
71.04988	7.0
73.02918	5.7
77.03945	3.2
77.75146	2.8
79.05054	4.9
79.05499	92.0
81.03419	8.1
81.07059	84.0
83.04978	7.9
83.08627	12.2
85.02921	15.5
85.06528	5.6
91.03973	7.7
91.04900	3.8
91.05479	78.1
91.05976	2.9
93.07049	100.0
94.07435	3.0
95.04958	15.5
95.08607	56.6
96.08948	3.4
97.02908	11.3
97.06524	7.7
97.10179	4.1
98.21107	14.6
99.08090	4.9
99.44598	2.8
101.02348	2.6
105.07034	68.7
107.04952	3.2
107.08604	44.5
109.06539	7.7
109.10156	27.2
111.08091	3.9
117.07053	23.8
119.08585	57.4
121.06495	4.6
121.10147	47.8
123.11726	7.6
125.12181	2.8
129.05495	3.9
129.06985	20.2
131.08586	37.7
133.10144	56.3
135.11682	32.7
137.09633	5.0
139.11235	3.6
141.06975	6.0
141.22778	3.0
143.08580	21.7
144.09273	2.9
145.10143	37.0
147.08032	4.5
147.11708	47.1
149.09679	6.3
149.13254	14.5
155.08565	8.8
157.10146	19.0
159.08057	3.9
159.11705	29.6
161.13246	27.7
163.11273	6.0
163.14848	8.2
165.06975	3.2
167.08621	2.9
169.10109	9.6
171.11729	18.9
173.13293	24.7
175.14874	14.6
177.12759	3.6
181.10201	6.9
183.11728	9.8
185.13281	14.2
187.14857	9.4
189.12848	3.8
189.16420	5.0
195.11815	5.4
197.13336	7.2
199.14825	11.4
201.16400	4.8
203.14375	3.6
209.13422	3.7
211.14900	6.1
213.16377	12.5
215.17972	7.8
225.16479	3.5
227.14404	3.5
229.19485	4.7
231.17500	10.0
231.20944	4.5
233.19023	6.5
239.18054	4.8
241.19556	21.8
257.19025	5.6
259.20621	32.0
261.22122	4.5
271.20233	3.7
301.21841	3.6
305.21167	5.5
307.22678	65.2
315.23108	2.9
333.24207	27.7
335.25970	8.4
403.24960	4.6
491.38757	4.8
565.42334	11.9
581.41791	6.0
583.34998	5.1
583.43597	67.8
584.43182	3.3
673.44775	5.3
691.45941	4.9
709.46844	5.7
727.47327	6.7
745.48956	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	745.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.1
55.05519	25.2
57.03427	13.8
57.07084	5.4
61.02925	16.9
61.07014	3.3
65.03929	8.1
67.05515	71.1
69.03429	13.0
69.07063	26.3
69.07384	4.7
71.05006	6.9
71.58764	4.8
73.02915	8.8
79.05495	59.0
81.03418	9.0
81.07058	61.0
83.04989	4.6
83.08621	10.7
85.02898	14.5
85.06514	4.8
91.03941	5.9
91.05483	58.8
93.07052	64.0
94.99767	3.3
95.04957	14.8
95.08042	4.8
95.08607	51.0
96.95403	3.7
97.02893	10.4
97.06521	6.3
97.10175	5.9
105.07028	58.7
107.08588	32.4
109.06556	4.5
109.10185	19.3
117.07015	19.9
119.08581	57.4
121.06519	4.3
121.10147	35.0
123.11695	5.0
128.06197	5.6
129.07008	23.3
131.08586	46.3
133.10126	55.2
135.11737	17.3
137.13199	3.6
141.06985	7.2
142.07784	6.0
143.08609	18.0
145.10147	34.1
147.11693	44.2
149.09610	4.5
149.13269	9.1
150.93909	3.4
155.08549	11.3
157.10143	24.8
159.11748	18.1
161.13235	13.7
169.10031	10.4
171.11717	29.5
173.09705	4.8
173.13234	17.3
181.10097	6.1
183.11671	14.1
185.13290	13.1
187.14801	8.2
189.16502	3.9
195.11819	4.5
197.13309	5.5
201.16362	5.3
203.17940	7.2
211.14751	5.0
213.16370	31.3
215.17793	4.2
223.14873	6.8
227.17995	4.8
229.15802	8.8
231.17432	41.5
233.18962	5.0
239.17978	5.3
243.17467	5.8
261.18631	4.4
261.22186	3.7
273.18414	6.9
305.17810	4.0
305.21127	10.1
307.22629	5.3
335.25906	34.7
355.46103	4.2
491.38849	9.8
565.42554	8.9
583.43616	100.0
709.47046	5.3
727.46704	5.7
745.47644	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
53.85766	0.8
55.01873	1.3
58.99590	10.6
61.02915	2.2
61.97660	0.8
66.32409	1.0
67.05521	1.9
69.07066	1.4
70.06395	1.9
70.06757	1.7
73.02879	0.9
76.02229	63.1
76.04005	1.5
77.66972	0.9
79.05495	1.8
80.04990	1.0
81.03419	100.0
83.04985	1.1
84.04503	13.4
85.02901	2.8
86.99049	2.3
91.05479	8.2
92.64886	1.0
93.07052	4.5
95.04923	1.1
95.08596	1.0
97.02891	1.4
98.21022	1.9
109.10143	1.3
116.01672	15.5
119.08581	11.7
121.06520	3.5
123.08082	1.9
129.06860	1.0
130.05009	8.4
137.09615	12.8
142.03223	6.6
144.01135	9.4
147.08023	5.7
161.04124	0.9
162.02203	27.2
165.09123	42.5
170.02727	3.2
177.03305	1.8
179.04854	43.1
183.10226	2.0
187.05322	1.6
197.82706	0.9
215.04855	1.8
216.03355	1.0
229.22600	1.0
233.05891	12.8
239.12801	14.7
245.06044	2.1
257.13861	18.6
281.13760	3.0
286.21564	1.0
286.45453	1.0
291.06393	1.5
304.05240	1.1
308.09097	96.9
309.09235	1.7
314.51108	1.0
470.14722	1.1
564.22229	4.6
726.27222	1.7
744.53961	1.0
761.65259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2026
Annotation	Quercetin 3-glucosyl-(1->4)-xylosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.08091	0.1
55.01862	0.3
57.03437	0.9
61.02932	1.1
65.03931	0.2
68.99802	0.5
69.03430	1.7
69.32896	1.3
70.06599	0.3
71.01331	0.2
71.04992	0.8
73.02917	6.1
81.03407	0.5
83.04984	0.3
85.02904	6.4
87.04471	0.2
91.03927	0.2
93.03408	0.2
95.04934	0.2
97.02895	1.9
97.55294	0.2
98.20889	0.5
98.21598	0.2
99.04431	0.2
109.02879	0.7
111.00809	0.9
111.04450	0.3
115.03946	1.3
121.02897	0.7
123.04409	0.3
124.98646	0.2
127.03919	1.4
129.05469	0.6
133.04977	0.6
137.02342	2.8
145.04958	1.9
145.06500	0.3
147.06476	0.3
149.02318	0.4
153.01819	2.8
161.06018	0.2
163.03905	0.6
163.06030	0.2
165.01855	2.0
166.02634	0.2
171.03021	0.2
173.05989	0.2
180.05923	0.2
183.02922	0.8
183.04314	0.2
187.03854	0.3
201.05476	1.0
204.34212	0.2
213.05513	0.2
219.06494	0.2
229.04944	3.4
247.05925	0.7
257.04428	2.9
274.04749	0.7
275.05481	0.1
285.03961	1.3
287.05652	0.3
303.04987	100.0
304.05328	2.2
345.06082	0.4
369.05923	0.3
399.07327	0.2
435.09045	0.5
449.04425	0.3
449.10767	6.3
450.11487	0.2
611.15997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2236
Annotation	Kaempferol 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
52.63380	0.1
53.03934	0.1
55.01873	0.2
55.05512	0.3
57.03437	2.4
59.04998	0.1
61.02921	0.5
65.03967	0.1
68.99826	0.4
69.03426	1.1
70.94282	0.1
71.01358	0.2
71.04992	13.5
72.05315	0.1
73.02917	0.6
75.04482	0.7
79.05489	0.1
81.03447	0.4
83.04977	1.6
85.02902	18.4
86.03249	0.1
87.04472	0.5
95.04977	0.3
97.02903	1.1
99.04447	0.4
101.06015	0.1
103.05488	0.1
105.03371	0.2
107.04956	0.3
109.02882	0.6
111.00804	0.6
111.04450	1.5
113.06036	0.1
117.05500	0.1
121.02862	2.6
121.06492	0.1
125.02370	0.1
127.03907	1.2
129.05478	4.7
133.02834	0.6
133.04984	0.3
137.02330	0.7
141.07028	0.1
143.20897	0.1
145.04959	1.3
145.06575	0.1
147.04422	0.6
147.06506	1.5
153.01816	2.9
153.05463	0.2
155.21597	0.1
157.06480	0.4
161.06032	0.2
163.06038	0.3
165.01805	1.4
171.04391	0.2
171.06487	0.1
183.02943	0.6
185.05975	0.4
189.05547	0.1
197.05981	0.2
201.05618	0.1
201.07571	0.2
203.07033	0.1
204.53682	0.1
213.05498	1.0
213.07425	0.2
231.06618	0.6
231.63231	0.1
239.09151	0.3
241.05034	0.6
243.06548	0.1
255.08630	0.1
257.10098	0.2
258.05252	1.0
259.06003	0.4
266.70868	0.1
269.04489	0.2
275.11191	0.3
286.04700	0.1
287.05484	100.0
288.05829	3.0
293.12360	0.2
299.05518	0.4
313.53925	0.1
316.67761	0.1
329.06534	0.7
353.06583	0.2
379.07672	0.1
397.09052	0.6
415.10025	0.2
433.11316	6.7
434.11523	0.3
449.10153	0.1
494.83478	0.1
595.16650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01872	2.6
55.05517	8.4
57.03434	4.4
57.07047	1.8
58.32584	1.4
65.03951	1.3
67.05178	1.5
67.05505	23.6
69.03417	2.4
69.07059	6.7
71.04961	2.0
71.50249	3.0
79.05062	1.6
79.05496	25.3
81.03410	4.9
81.07059	23.3
83.04958	3.1
83.08614	5.8
91.05489	7.7
93.07043	33.2
95.04936	4.3
95.08605	39.8
97.02866	5.1
97.06536	3.4
99.04446	3.0
103.05449	1.3
105.07022	7.4
107.04939	6.1
107.08582	22.2
109.06506	1.6
109.10152	6.9
111.08077	1.8
117.07014	7.0
119.08568	12.6
121.06492	2.6
121.10135	12.7
125.05983	2.8
127.03896	3.0
131.08531	3.7
133.10126	3.7
135.08029	2.2
135.11688	37.1
145.10124	25.9
147.11681	1.9
149.09567	1.1
149.13345	1.3
152.95825	1.1
163.09836	2.6
163.11189	48.7
173.13350	1.5
181.12225	8.3
187.14990	1.4
209.11734	2.1
227.12776	78.1
228.13155	1.5
261.22229	3.2
283.15396	100.0
284.15692	1.9
285.38528	1.2
301.16428	1.6
335.25809	36.9
353.15976	5.9
371.16901	1.5
501.65573	1.4
543.36884	29.2
544.36908	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	736.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42808	2.0
53.03933	5.9
54.78429	1.6
55.01879	3.3
55.05517	30.1
57.03424	6.0
57.07074	7.1
58.54879	1.6
65.03938	3.0
67.05507	68.1
67.05870	3.8
69.03426	12.0
69.07074	15.1
69.25526	7.5
69.25949	10.2
71.04978	5.6
71.08640	3.6
74.09716	7.9
79.05496	88.5
81.03430	9.9
81.07060	68.7
83.04989	4.6
83.08630	8.9
85.02907	11.3
85.06542	7.7
85.71362	1.6
91.05486	49.1
93.07047	100.0
95.04965	10.9
95.08611	53.0
97.02898	7.3
97.06534	6.7
97.10171	2.8
98.20774	3.9
98.21454	6.4
99.04438	3.2
99.08098	9.9
104.80054	1.9
105.04478	2.2
105.07030	43.1
107.04953	4.5
107.08601	37.7
109.06501	3.8
109.10155	22.2
111.04477	5.2
111.08084	5.3
113.09628	3.6
115.05476	2.4
117.07024	21.0
117.21259	2.0
119.08585	30.1
121.06547	3.4
121.10141	59.7
123.08098	5.0
123.11729	14.5
125.09641	5.4
127.03905	5.2
128.88475	1.7
129.07011	7.6
130.07808	2.1
131.08582	38.5
133.06509	3.5
133.10136	34.0
135.08055	5.1
135.11688	49.9
137.09639	5.4
137.13269	4.6
141.06979	2.3
143.08549	8.6
145.06519	2.3
145.10126	33.6
147.08112	2.2
147.11690	23.9
149.09631	8.3
149.13252	25.7
151.11226	4.0
155.08647	4.0
157.10138	7.1
159.11685	28.6
161.09628	4.2
161.13266	7.5
163.11215	5.9
165.09116	3.4
169.10182	3.6
171.08081	2.9
171.11723	7.7
173.13281	24.2
173.14702	3.0
175.11189	2.7
175.14827	4.0
177.12756	5.7
183.11707	2.6
183.29509	1.8
185.13228	2.0
187.14835	7.7
189.12776	3.1
189.16412	5.0
197.13388	2.3
205.19461	8.5
213.16455	4.4
215.17949	59.2
223.13260	1.9
231.17493	4.9
233.19008	60.3
245.19214	2.1
249.18448	2.4
257.19077	3.8
261.18704	2.4
263.19989	2.4
275.20081	7.3
287.20230	2.6
293.20969	1.9
299.20135	2.7
307.22726	5.9
313.21701	2.7
323.19974	2.2
325.23767	9.2
335.25851	2.3
341.21072	13.6
359.22070	12.2
377.23074	10.3
395.24283	3.9
424.77304	2.0
473.95560	1.9
702.24597	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
55.82144	0.9
56.35472	0.8
57.03442	1.5
57.54778	0.6
58.40138	0.7
61.02930	5.3
63.30897	0.6
67.05501	4.7
69.03423	2.5
69.07074	1.8
69.57710	0.8
69.58077	5.0
71.04992	2.9
73.02931	3.1
73.54469	0.7
79.05502	3.2
81.03429	1.3
81.07059	3.2
84.24242	0.7
85.02908	4.7
87.74371	0.7
89.04327	0.6
91.03967	3.2
91.05486	2.2
93.07043	4.6
95.08613	8.9
97.02895	4.0
98.20752	1.5
98.21409	2.0
98.74887	0.7
99.04459	1.0
101.02390	2.0
103.03949	0.8
105.07036	1.2
107.08596	2.3
109.02898	1.0
109.10210	0.8
119.08640	1.1
121.10155	3.5
123.08118	1.1
127.03925	1.7
131.08571	1.1
142.86816	0.7
199.28160	0.7
239.12682	0.9
243.08522	2.0
335.25717	1.1
457.20450	9.8
519.29095	3.7
720.54303	0.8
735.42920	100.0
736.43121	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	736.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.2
55.01880	2.5
55.05256	1.7
55.05511	23.3
57.03434	7.3
57.07081	6.3
58.90271	1.0
59.17325	1.1
65.03926	4.9
67.05505	79.8
69.03429	9.6
69.07069	15.0
70.72237	2.1
70.72569	1.9
71.01340	1.7
71.04993	8.1
71.08611	2.7
73.35702	1.1
74.09713	2.6
75.04447	0.9
77.03909	1.6
79.05492	86.4
80.05815	1.2
81.03418	12.8
81.07056	77.9
83.04987	5.7
83.08633	11.6
85.02906	11.8
85.06544	8.2
91.05480	50.8
93.07043	100.0
95.04977	12.3
95.08603	56.2
97.02879	8.1
97.06530	8.0
97.10170	4.4
99.04458	3.7
99.08092	8.4
103.03941	2.4
103.05455	2.2
105.04530	1.7
105.07028	37.3
107.04950	3.5
107.08595	44.3
108.04468	1.3
109.02891	2.7
109.06503	7.4
109.10154	29.4
111.04469	3.0
111.08103	5.2
113.09634	4.3
115.03935	1.3
115.05442	3.2
117.07022	23.9
119.07944	0.8
119.08577	32.0
121.06499	4.3
121.10140	56.6
123.08054	4.7
123.11711	19.8
125.09617	4.2
127.03912	3.8
128.06219	2.1
129.05505	1.3
129.06995	9.8
130.07780	1.5
131.08571	36.4
133.06488	1.2
133.10135	35.4
134.10449	1.2
135.08076	5.6
135.10672	2.4
135.11697	45.8
137.09613	6.0
137.13245	4.3
139.11174	2.9
141.06973	2.4
143.08563	6.2
144.09314	1.8
145.04933	1.5
145.06497	1.3
145.10123	32.2
147.08037	3.2
147.11685	22.6
149.09616	7.6
149.13248	21.2
151.11195	4.3
153.12836	1.1
155.08540	2.3
157.06500	1.5
157.10110	5.7
159.08066	1.9
159.11691	28.6
161.09622	2.4
161.13252	6.3
163.11182	5.9
165.09102	1.4
165.12698	2.1
167.08574	1.4
168.09367	1.2
169.10101	3.1
171.08089	2.2
171.11722	8.0
173.09662	2.8
173.13258	19.6
175.11165	2.6
175.14845	3.3
177.12788	4.6
183.11691	2.9
184.31969	1.1
185.09627	1.6
185.13272	3.1
187.11172	2.4
187.14783	6.4
189.12712	1.9
189.16400	3.4
191.10561	1.2
191.14349	2.5
191.17882	1.4
195.11726	2.1
197.13310	2.0
199.11206	2.1
199.14844	1.4
201.12740	2.3
203.17926	2.3
205.15866	2.1
205.19499	8.7
207.11853	1.2
209.13365	2.0
211.11142	1.6
213.12657	1.2
213.16391	4.1
215.17946	65.7
217.19452	1.6
221.13422	1.4
222.11891	1.2
225.11195	1.6
227.18031	1.7
229.12238	2.3
231.17413	4.3
233.18999	63.4
234.19366	1.9
243.13629	2.3
245.19113	2.2
249.18504	3.2
251.20064	4.0
261.18549	2.6
263.20062	1.3
264.62952	1.1
269.18982	1.8
275.20102	4.7
287.20035	3.3
289.21594	1.2
291.19336	1.6
299.19928	1.6
307.22653	18.5
313.21750	1.7
317.21350	1.5
323.19983	2.0
325.23746	11.9
341.21078	10.1
359.22168	9.1
377.23462	7.4
394.53464	1.1
395.24274	5.4
739.39465	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
54.74883	0.4
55.01873	0.6
55.05503	1.0
57.03431	1.6
57.07067	0.7
61.02931	6.0
62.65599	0.5
67.05507	5.1
69.03430	3.7
69.07066	1.2
70.88917	1.2
71.04985	2.7
73.02912	4.0
79.05495	3.9
81.03420	1.8
81.07068	5.9
85.02916	4.6
87.04473	0.6
89.06075	0.6
91.03964	4.0
91.05485	3.4
93.07056	5.6
94.53703	0.5
95.04957	0.8
95.08598	2.7
97.02888	4.9
97.06544	0.6
99.04449	0.6
101.02373	2.3
105.07031	1.1
107.08613	1.7
109.02889	0.7
109.10184	1.2
117.07046	0.6
119.08624	0.6
121.10138	2.4
123.11736	0.6
125.09641	0.5
127.03931	1.2
128.06453	0.5
129.01372	0.5
131.08525	0.8
133.10170	1.4
135.11702	1.1
145.10178	0.6
149.13316	0.7
151.11198	1.0
161.31120	0.5
169.43301	0.5
243.08563	1.6
267.15747	1.7
307.22775	1.0
485.23489	3.1
491.26163	6.4
496.19397	0.5
573.37415	0.6
637.53369	0.6
735.42908	100.0
736.43414	5.7
738.54669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01869	2.2
55.05513	9.4
56.05029	6.1
56.72263	1.1
56.74152	1.0
57.03427	2.0
57.07065	3.5
61.02937	1.0
62.51432	1.1
64.95282	0.9
67.05497	13.7
69.03428	4.9
69.07073	14.5
70.06586	4.3
71.04984	2.8
71.19417	1.3
72.08133	1.2
72.63452	0.9
79.05496	10.5
81.03442	5.5
81.07056	40.4
83.04974	3.0
83.06104	41.2
83.08595	5.7
84.04504	91.3
84.08122	3.4
85.02892	9.7
85.06521	1.3
86.09686	3.3
87.00825	3.9
91.05483	8.7
93.07047	25.6
95.04978	2.8
95.08608	30.2
97.02888	2.9
97.06532	3.9
97.10175	7.2
99.04430	1.7
101.07138	21.6
102.05540	10.4
105.01884	1.4
105.07023	16.7
107.08595	25.1
109.02870	4.4
109.06531	1.3
109.10154	21.3
111.08110	2.6
111.11726	1.4
117.07026	0.9
119.08574	22.2
119.09334	1.6
120.08086	1.2
121.10145	20.1
123.08064	1.7
123.11697	12.3
125.09623	3.7
127.03906	4.2
129.06598	98.2
130.05002	100.0
131.08582	2.3
132.45378	0.9
133.10136	13.2
135.11684	12.5
136.06258	1.8
137.09619	2.3
137.13266	2.4
139.11163	1.7
143.08548	1.2
145.04955	1.6
145.10135	5.2
147.07640	68.8
147.10594	2.0
147.11659	15.9
149.13261	22.8
151.11171	1.9
151.14801	1.6
153.12708	1.7
157.10123	1.9
159.02951	1.8
159.11678	5.5
161.13234	7.6
163.11151	1.3
163.14816	5.8
164.65970	0.9
165.12727	3.7
167.14331	1.5
173.13287	2.9
175.14861	4.6
177.16461	2.9
179.14427	1.3
185.13173	1.0
187.14894	1.4
189.16397	3.6
190.21977	0.8
191.14308	1.1
193.15910	1.2
195.17361	1.6
199.14871	1.3
203.17949	1.9
213.16463	1.6
233.10863	1.1
249.05481	1.1
259.24255	2.3
269.22687	2.8
275.23773	1.9
277.25269	3.4
287.23734	9.6
293.24713	1.9
304.26492	1.3
305.19095	1.2
305.24756	18.7
322.27365	5.3
323.25748	2.5
340.28467	1.5
405.31320	1.4
406.29568	2.2
415.29468	1.6
416.27771	2.8
421.30493	6.7
422.29022	2.2
423.32080	1.2
433.30591	18.0
434.28922	12.3
439.31705	22.6
442.41360	1.1
451.31647	73.4
452.30453	4.6
469.32681	29.8
487.33630	6.2
582.53351	1.1
735.31049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49186	0.9
51.68395	1.0
53.26516	0.9
65.03948	1.1
65.12657	1.1
66.03467	1.7
70.06600	2.8
79.05487	4.8
84.04504	1.8
84.08149	2.5
86.09703	2.5
91.05473	3.4
93.05840	1.2
93.07041	4.5
94.06571	6.7
95.04969	1.9
96.08119	2.7
98.21117	6.5
103.05458	3.9
105.05788	1.8
106.06593	2.4
108.04479	3.8
108.08100	9.5
110.09683	1.6
118.06554	3.9
119.07313	1.6
120.04469	10.1
120.08105	33.6
122.06024	7.3
122.09613	1.9
124.07594	7.4
129.10254	1.2
130.06535	1.7
132.08098	1.7
134.06046	6.2
136.07581	15.1
137.06027	2.1
138.05486	3.8
138.09126	2.8
144.04428	2.1
146.04836	1.5
146.06009	47.0
148.07574	100.0
150.05489	1.5
150.09158	2.9
152.07115	2.4
160.07527	3.0
162.05481	2.4
162.09055	2.4
164.07056	4.7
166.04965	2.4
166.08629	8.8
170.08424	1.2
172.03947	12.4
188.07022	1.5
190.04982	14.7
192.06635	1.9
194.09752	2.7
196.09973	2.4
197.10782	4.4
198.11490	2.2
208.09694	2.6
209.10715	3.3
210.11491	1.9
211.08705	2.1
211.12341	4.9
212.09348	2.2
213.10098	1.2
216.06590	1.6
222.09213	2.2
223.08620	2.2
223.12289	3.2
224.09387	3.3
225.10168	7.2
225.13795	3.3
226.10991	5.4
227.11833	6.0
234.07620	5.4
235.12358	1.4
236.11015	1.6
237.10248	7.3
238.11002	4.5
239.08128	2.1
239.11780	14.1
241.09755	1.6
241.13335	2.4
245.12990	1.4
249.10350	1.3
250.11086	1.9
251.11850	7.8
252.08682	33.2
252.12566	2.3
253.09729	6.0
253.13338	13.3
254.10548	1.3
255.11362	6.4
255.14796	1.2
263.11844	1.9
265.09787	9.7
266.10434	3.5
267.11292	10.6
269.12848	1.4
270.11240	1.6
271.10837	1.4
271.14386	1.2
273.12253	2.9
278.06573	3.2
279.11310	7.7
281.12839	17.6
283.10806	3.1
285.12238	3.7
287.13934	3.7
291.11304	1.5
293.09128	5.3
294.09631	2.1
295.10712	2.1
297.12262	3.9
299.10855	1.8
299.13724	7.5
307.10941	5.2
309.12350	5.0
312.11081	2.2
313.11792	3.0
315.13455	10.3
325.11777	4.3
327.13364	21.7
330.16043	1.8
333.14438	4.2
335.10190	4.8
340.10410	2.0
341.11261	5.2
341.15027	3.7
343.13144	1.3
353.11319	5.2
357.14395	1.5
359.12286	8.8
360.17068	1.3
367.12936	2.3
385.13934	47.4
386.14218	2.0
400.16342	1.8
411.11807	4.5
416.19983	1.8
420.18958	1.7
432.19217	2.6
434.20877	5.5
444.19138	2.4
460.18347	3.7
462.20300	15.4
480.21069	4.1
488.18134	11.0
504.21231	1.3
506.19141	3.4
509.84460	1.2
524.20313	1.7
538.21710	3.8
548.20355	8.0
549.20752	2.0
551.18616	4.0
564.19727	2.5
566.21307	28.9
567.21594	1.3
574.18066	1.7
592.19312	40.0
671.27020	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	732.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.05513	10.9
56.05042	4.5
57.03431	0.8
57.07078	6.4
60.04526	74.8
65.03936	0.9
67.05160	1.1
67.05505	15.2
68.05018	0.8
69.03419	0.9
69.07068	13.3
69.39889	3.2
69.40295	1.8
70.06580	3.0
71.04990	0.9
71.08624	2.8
72.04510	5.3
74.06076	2.4
79.05494	11.3
80.05010	1.0
81.03410	3.9
81.07056	18.5
82.06581	2.5
83.04952	1.1
83.08613	9.8
84.08173	1.5
85.02880	1.4
85.10176	1.6
86.06081	3.3
89.61031	0.6
90.05563	2.8
91.05489	10.8
93.07043	9.7
94.06590	4.5
95.04960	2.1
95.07373	1.5
95.08611	15.6
96.08140	2.7
97.06548	1.8
97.10152	4.8
98.06040	1.6
98.21274	2.6
100.07607	0.9
105.07047	6.1
106.31128	0.6
107.08596	5.0
108.08099	2.7
109.06480	1.1
109.10151	6.2
110.09687	1.3
111.08094	1.3
111.11720	1.1
112.07584	1.3
119.08588	6.3
121.10143	5.0
122.09669	2.2
123.08086	1.3
123.11716	2.3
125.13276	0.9
133.10133	5.9
135.11723	3.2
137.13304	1.1
147.11746	1.9
158.58972	0.7
161.13313	1.0
233.22752	0.9
238.25356	0.9
245.22713	4.0
250.25368	3.3
262.25299	32.8
263.23642	6.1
266.24872	0.9
268.26328	1.5
272.25879	5.9
280.26361	28.1
281.26907	1.0
298.27362	8.2
314.26993	2.8
316.28494	1.6
334.94403	0.7
335.25790	1.1
342.65048	0.7
343.09738	0.7
344.15201	0.6
344.28052	1.6
460.88528	0.6
504.48126	1.2
516.47589	3.8
534.48706	14.7
535.49182	1.2
552.49866	100.0
553.50037	5.2
570.50909	25.4
570.59796	1.2
571.51013	1.4
675.28625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5613
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
53.03950	1.3
55.01863	1.0
55.05265	0.6
55.05514	8.9
56.05035	4.0
57.07072	6.0
58.06597	1.0
60.04526	66.5
63.22791	0.6
63.31768	0.6
65.38607	0.6
66.69057	0.6
67.05503	13.9
69.07063	11.6
70.06589	1.9
70.76688	1.8
71.04990	0.7
71.08641	3.1
72.04526	4.1
74.06068	2.6
78.94517	0.5
79.05493	9.3
80.05038	1.3
81.03429	3.3
81.07056	15.5
82.06583	3.1
83.04981	1.7
83.08617	8.0
84.08156	1.3
85.02879	1.0
85.10201	1.5
86.06071	3.3
89.09679	0.5
90.05551	3.1
91.05470	7.4
93.07051	9.6
94.06566	4.9
95.04967	2.5
95.07339	1.3
95.08604	14.6
96.08138	2.0
97.06544	1.5
97.10156	4.8
98.06064	1.4
98.21213	0.6
105.07028	5.4
106.91052	0.5
107.08580	4.8
108.08122	1.2
109.06511	0.8
109.10152	6.0
110.09669	1.4
111.08075	0.9
111.11707	1.3
112.07590	1.4
119.08591	6.4
121.10163	4.9
122.09692	1.5
123.08054	1.1
123.11712	2.0
133.10132	4.7
135.11699	2.2
136.11232	0.9
137.09671	1.0
137.13278	1.1
143.82748	0.6
147.11725	1.2
149.13309	0.6
161.13289	1.4
200.43210	0.6
204.73607	0.5
219.21156	0.7
233.22537	0.8
238.25404	0.7
245.22586	3.3
250.25394	3.3
252.26891	0.6
254.24608	1.3
262.25308	26.4
263.23599	4.3
266.24786	0.7
268.26428	1.0
272.25845	7.2
280.26346	27.2
281.26611	0.7
298.27405	9.2
314.26877	3.6
316.28555	1.5
344.27960	1.6
440.50421	0.5
504.47650	0.8
516.47949	3.5
534.48840	16.8
552.49866	100.0
553.50281	4.9
570.50909	31.2
571.51154	1.3
660.65277	0.7
714.55151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26111	3.1
53.03946	7.6
54.65797	3.0
55.01869	4.1
55.05510	24.6
57.03440	22.1
57.07063	4.7
67.05166	4.6
67.05508	68.2
69.03450	3.0
69.07066	13.3
70.82866	10.3
71.04986	5.0
75.03165	3.2
79.05497	73.5
81.03421	100.0
81.07063	72.5
81.07510	2.8
83.04979	7.0
83.08623	25.7
85.02903	5.3
85.06559	5.6
91.05479	50.6
93.07054	69.1
95.04964	33.7
95.08618	47.5
97.02914	3.0
97.06525	5.7
97.10187	7.9
98.20850	3.2
100.75160	3.0
105.07032	39.8
106.07419	3.8
107.04945	7.6
107.08598	29.3
109.06536	8.3
109.10157	26.0
111.08105	7.6
117.07021	14.6
119.08590	31.8
121.06489	4.8
121.10136	34.3
123.08083	5.8
123.11699	6.8
125.09663	7.8
129.07004	10.3
131.08578	20.9
133.10156	25.6
135.08051	5.6
135.11705	24.0
137.09624	4.2
137.48019	3.4
142.07829	4.6
145.10120	17.9
147.08017	5.5
147.11719	14.7
149.09618	8.2
149.13274	7.2
157.10150	13.9
159.11723	9.5
161.13301	8.1
163.11206	3.9
171.11740	6.6
173.13293	11.0
175.11215	10.6
175.14700	3.2
176.50307	3.0
189.11288	5.8
189.12834	4.1
193.12207	21.8
205.12241	3.7
205.19563	4.4
214.59904	3.1
215.17964	25.4
227.12764	7.4
233.18970	25.1
235.13351	3.7
267.15909	94.4
268.16357	4.3
273.22107	4.8
287.15317	3.4
307.22662	84.1
309.16861	3.8
319.15421	5.0
357.84888	3.3
370.56030	3.3
407.29395	7.5
425.30493	10.6
443.31552	5.4
499.34201	48.8
517.35242	43.0
541.34814	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	732.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.5
55.01877	1.9
55.05513	10.4
57.03442	11.7
57.07064	1.7
65.03943	1.5
67.05173	2.3
67.05504	33.4
69.03423	2.3
69.07070	11.6
69.99395	1.6
71.04987	1.8
71.37811	2.6
79.05502	24.0
81.03419	100.0
81.07062	32.0
83.04967	4.8
83.08607	4.5
85.02937	1.7
90.13616	1.3
91.05485	32.2
93.07042	31.4
95.04955	7.1
95.08605	30.5
97.06512	5.6
97.10162	2.8
105.07032	12.0
107.08598	15.7
109.06483	2.8
109.10147	14.1
117.06985	5.5
119.08584	30.6
121.06524	5.9
121.10133	13.2
123.04397	1.8
123.08091	4.9
123.11718	4.0
125.09621	1.6
129.06982	2.3
131.08583	9.9
133.10120	9.4
135.08054	4.5
135.11679	6.7
136.18373	1.3
137.08662	1.7
137.09622	15.9
137.29759	1.4
143.07021	2.9
143.08582	1.8
145.10123	8.3
147.08061	7.0
147.11679	3.7
149.13235	5.0
155.08601	2.1
157.10034	3.7
159.11696	4.5
161.13242	2.8
163.07498	1.6
163.14801	1.7
165.09105	25.6
171.11649	2.7
173.13214	3.0
175.11055	1.9
183.10239	2.0
185.13255	2.6
199.09669	2.2
209.15070	1.4
237.16386	1.7
239.12767	49.8
239.15195	2.6
243.21011	3.4
257.13785	3.6
259.20572	1.7
261.22278	7.6
281.13779	2.8
301.25085	1.7
306.86652	1.4
307.22778	2.1
317.24777	2.3
335.25790	32.3
407.29483	5.7
414.14169	1.6
425.30582	5.7
443.31509	2.4
499.34225	25.3
517.35242	24.3
535.36304	2.7
683.46118	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	0.8
69.03403	0.7
70.06580	2.8
71.33563	1.2
79.05487	2.0
81.03426	1.3
81.07048	1.2
84.04486	1.0
84.08140	1.7
86.09703	1.6
91.05479	2.0
93.07039	1.8
94.06576	1.8
97.02907	0.6
97.08778	0.6
103.05478	1.5
108.04533	0.8
108.08128	1.4
118.06532	0.8
119.08607	0.7
120.04440	1.3
120.08116	8.0
122.06038	5.9
124.82481	0.6
129.06593	0.7
129.10225	1.3
130.06544	1.0
130.56601	0.6
131.08566	1.4
134.05969	1.5
136.07570	5.4
137.06009	0.7
141.06956	0.8
143.08568	0.7
144.04456	1.3
144.08124	1.2
146.06010	14.0
148.07581	16.3
150.05504	1.5
155.08508	1.2
157.10126	0.9
160.07582	1.8
162.05508	1.4
162.09117	0.8
166.08620	1.8
169.46494	0.6
170.09659	3.4
172.03967	2.4
172.07593	0.9
172.09897	1.0
172.11201	0.9
174.09109	1.1
175.08707	1.2
184.11205	1.3
186.09132	0.9
187.12312	5.2
190.05014	7.2
198.09155	24.2
200.09447	2.2
200.10919	1.3
206.08272	0.7
210.09180	0.8
212.10786	4.3
213.10211	1.4
215.11810	18.9
225.09987	1.2
225.13858	0.8
226.08640	7.6
227.08165	0.9
227.11868	0.9
228.08829	0.8
229.09650	1.2
229.13438	0.8
231.11337	1.2
239.11839	0.9
240.10216	2.7
241.09764	2.1
241.13385	1.7
242.10466	1.6
243.11304	100.0
244.11595	2.6
252.08582	4.1
253.09752	0.9
253.13376	2.9
255.11320	4.9
257.12851	5.3
267.11230	0.8
279.11212	1.4
281.12848	4.7
284.11435	0.9
285.12347	90.8
286.12766	2.4
301.11737	4.6
303.13394	91.5
304.13736	2.7
313.11978	0.9
315.09940	0.9
341.15176	0.8
358.15298	1.0
385.13928	9.7
386.14401	0.9
411.11798	1.9
412.16553	1.2
418.17349	1.8
430.17508	1.2
436.18701	4.0
448.18649	1.6
474.16409	1.4
552.19452	0.9
565.24762	1.1
583.25183	2.1
625.26862	3.0
669.25336	5.8
670.24103	0.6
687.26599	1.3
713.24152	2.6
731.29358	1.0
739.09344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01851	0.7
55.05511	10.0
57.03435	5.9
57.07067	1.5
61.02921	2.0
62.06099	0.7
65.03938	1.1
67.05507	39.8
69.03420	1.5
69.07072	10.3
71.04994	13.3
71.50042	0.6
73.02898	0.7
79.05496	26.9
81.03403	1.3
81.07060	28.4
83.04971	2.3
83.08621	4.4
85.02911	2.3
85.06552	1.3
85.84207	0.7
91.03965	1.2
91.05484	14.9
93.07048	34.3
95.05018	3.1
95.08611	100.0
96.08943	1.5
97.02912	1.4
97.06538	4.3
97.10146	4.2
98.21088	0.7
99.08109	1.1
100.35427	0.6
105.07027	9.8
107.08600	15.0
107.09296	1.3
109.06550	1.6
109.10152	7.3
111.08092	0.7
117.07011	3.4
119.08580	8.2
121.10147	17.6
123.08075	8.0
123.11723	2.0
125.09634	2.9
131.08568	10.2
133.10146	6.5
135.11714	6.3
137.09595	1.2
139.11195	1.2
141.09062	4.0
143.08568	1.0
145.10130	4.9
147.11722	4.0
149.09645	2.9
149.13316	2.1
151.11249	0.8
155.08484	0.7
157.10130	1.2
158.20784	0.6
159.10191	4.3
159.11716	3.3
161.13309	2.0
163.14796	1.1
167.10678	2.3
169.10172	0.7
171.11766	0.9
173.11734	1.9
173.13315	3.3
175.14853	1.3
185.13307	1.8
187.14864	1.3
190.46826	0.6
197.11739	1.1
197.13394	0.8
199.13359	3.5
199.15025	0.9
201.16350	1.0
222.14378	0.7
229.14438	0.8
241.14342	3.7
241.19687	0.7
243.21147	1.0
259.20575	1.0
261.22232	2.3
273.16962	20.8
335.25824	18.2
336.26208	0.9
363.25510	1.3
365.28485	1.7
377.26712	0.9
383.29639	3.3
391.30038	0.7
401.30902	1.1
409.30981	1.6
457.33087	5.1
475.34216	70.3
476.34488	3.5
483.34940	1.2
489.35748	2.9
501.35754	12.3
502.36252	0.9
507.37070	1.0
533.38403	36.1
534.39362	1.5
550.96112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
54.03306	0.8
55.01888	0.8
55.05258	1.0
55.05515	18.5
57.03434	8.0
57.07064	2.9
61.02925	3.6
65.03932	3.0
67.05505	71.6
68.05840	0.8
69.03426	2.2
69.07075	10.7
70.06458	3.6
70.41349	0.7
71.04995	21.2
73.02928	0.8
73.06568	0.7
79.05495	56.5
80.06229	0.7
81.03415	1.8
81.07058	100.0
82.07410	0.8
83.04984	4.2
83.08624	10.3
84.41909	0.7
85.02918	3.8
85.06548	9.0
87.04440	0.8
89.06033	1.8
91.03974	1.3
91.05485	32.3
93.07047	56.5
95.04974	5.4
95.08611	25.8
95.09229	1.0
96.69836	0.7
97.02927	1.6
97.06539	5.2
97.10165	2.4
98.21288	1.3
99.08094	2.9
103.05450	0.7
105.04530	1.2
105.07028	19.5
107.04942	0.9
107.08598	16.8
107.90020	0.7
108.83871	0.7
109.06514	2.5
109.10157	11.2
111.08095	2.7
117.07014	4.5
119.08577	9.0
121.10143	25.1
123.08097	1.7
123.11710	13.6
125.09633	2.7
129.06975	1.2
131.08559	8.8
133.10141	17.9
134.04750	0.7
135.11697	6.5
137.09660	0.8
139.11174	1.2
145.10081	5.4
147.11693	4.0
149.09608	1.2
149.13289	5.3
151.11201	6.7
157.10152	1.0
159.11688	7.6
161.13246	1.3
163.11215	1.0
165.12759	0.8
171.11708	1.2
173.13264	2.5
177.12781	2.2
179.65698	0.7
183.13835	4.0
185.13324	1.5
187.13356	4.7
187.14821	1.1
195.13824	1.3
201.14821	0.8
215.17950	3.2
227.16371	1.3
233.19093	1.9
241.14278	0.9
243.15999	2.4
257.17520	2.0
269.17447	5.7
278.66061	0.8
301.20108	16.2
307.22696	35.8
308.22797	1.1
383.29434	1.5
457.33194	2.5
475.34201	90.4
476.34637	4.0
489.35739	5.0
501.35867	10.8
533.38379	97.2
534.38715	4.8
536.31268	0.8
573.52881	0.7
601.98010	0.8
677.42120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
53.44877	2.8
54.85937	2.5
55.01877	5.4
55.05519	23.2
57.03433	11.1
61.02937	6.5
65.03938	4.2
67.05508	66.4
69.07084	18.3
70.30845	9.7
79.05056	4.1
79.05500	63.3
80.55180	2.3
81.03422	6.9
81.07064	56.3
83.04984	9.7
83.08626	10.9
85.02901	7.3
85.06559	5.8
91.05486	49.1
93.07050	56.8
95.04971	16.3
95.08614	31.5
97.02888	6.9
97.06535	11.6
97.10155	5.2
98.21247	4.7
101.63026	2.8
105.07036	37.6
107.04970	6.6
107.08600	32.8
109.06506	10.2
109.10156	24.1
111.04449	7.3
111.08083	6.4
117.06998	19.3
119.08573	31.4
121.06480	5.8
121.10137	23.5
123.08120	4.2
123.11747	5.7
125.09676	5.7
129.07005	12.5
131.08556	25.0
133.06522	4.5
133.10144	31.4
135.08052	12.3
135.11717	23.4
135.31659	2.5
137.09622	6.5
139.07611	3.2
141.07002	4.6
143.08553	11.2
145.06479	2.9
145.10118	26.7
147.08047	4.5
147.11699	18.7
149.09631	12.1
149.13255	8.9
151.11211	7.3
155.08539	7.3
157.10146	14.6
159.11668	13.9
161.09615	7.3
161.13293	3.2
163.07576	3.6
163.11157	12.9
167.08553	3.2
169.10121	8.8
171.11693	9.4
173.09653	7.3
173.13290	6.4
175.11232	7.0
179.10727	5.3
181.10114	6.3
181.12335	3.2
183.11674	7.4
185.13292	5.0
191.10683	7.5
195.11638	3.1
197.09514	3.0
197.13303	4.8
199.11177	4.1
199.14844	5.5
209.11728	10.1
209.13437	3.6
211.14813	3.7
213.16412	6.1
215.17862	5.0
227.12715	8.1
227.16283	5.5
229.14362	8.1
231.17473	3.5
233.19032	5.7
243.17230	2.9
245.19040	7.7
247.16989	4.9
255.12286	4.3
255.15771	3.2
269.18796	4.0
283.15402	30.6
287.20099	12.4
289.18030	5.3
299.05609	2.9
305.20996	6.8
307.22684	8.3
335.22299	3.2
335.25879	7.9
345.20825	4.9
361.23532	4.5
363.21643	4.8
383.07120	2.6
384.62851	2.8
405.27838	11.7
423.28958	12.2
441.30048	10.3
459.31302	3.5
487.34491	4.2
497.32446	22.8
515.33722	100.0
516.33887	6.7
533.34924	36.4
730.40796	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	730.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.0
53.84152	2.7
55.01876	17.3
55.05508	21.0
57.03440	21.4
57.07084	3.5
61.02924	9.6
65.03925	4.5
67.05168	5.7
67.05508	77.9
69.03416	4.9
69.07072	17.2
69.71055	16.9
70.06573	3.6
71.04990	6.8
72.08322	3.0
74.36299	3.3
74.92884	3.0
79.05494	97.8
81.03409	12.7
81.07059	60.1
83.04988	8.3
83.08604	7.1
85.02895	6.8
85.06545	3.7
91.05482	68.3
93.07046	99.8
95.04967	15.5
95.08607	48.1
97.02868	8.9
97.06499	9.4
97.10143	11.7
98.21138	11.3
99.04478	3.3
105.04512	3.3
105.07049	29.5
107.04949	43.4
107.08600	72.8
109.06522	4.4
109.10152	25.3
111.04476	5.5
111.08076	5.3
115.05457	10.5
117.07029	58.6
119.04944	4.1
119.08580	28.7
121.06513	17.9
121.10153	24.3
123.08082	7.9
123.11736	8.0
125.09652	38.0
131.08565	24.2
133.10120	19.8
135.08057	100.0
135.11703	18.2
137.09619	5.0
143.08627	4.6
145.06488	27.6
145.10069	16.6
147.11682	10.8
149.02296	3.2
149.13239	9.1
153.09109	42.8
155.06009	3.8
155.08592	3.4
157.10104	7.9
159.11758	11.1
161.13242	6.6
163.07562	48.8
163.11163	6.7
163.14822	3.9
169.10158	5.1
171.11668	5.1
173.09735	4.0
173.13283	8.8
175.11250	3.8
181.08678	21.3
181.09967	4.6
191.10645	3.7
191.77466	3.9
199.09654	6.6
209.11702	7.4
215.17960	4.4
233.18933	4.1
237.11227	38.8
243.21129	8.4
247.93420	3.4
254.76978	3.8
255.12294	99.4
261.22177	21.3
273.13318	77.0
279.23193	4.5
283.15308	15.2
295.99472	3.7
301.16342	8.0
307.22684	17.9
335.25784	54.3
353.26584	3.8
395.29303	4.4
405.27917	6.2
423.29028	8.1
441.29941	6.2
487.33841	4.8
497.32681	18.8
515.33649	59.7
533.34753	32.9
602.93073	3.9
730.40442	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	730.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01865	8.6
55.05513	20.3
57.03436	14.3
61.02914	3.5
65.03924	4.5
67.05508	65.6
69.07072	16.7
70.73769	3.0
71.58097	3.8
73.02911	2.8
79.05497	77.7
79.05954	4.2
81.03420	8.7
81.07059	61.2
83.04985	19.2
83.08607	8.1
85.02913	5.3
85.06536	8.2
85.72880	3.0
91.05478	39.4
93.07044	77.6
94.56229	3.0
95.04965	21.2
95.08609	38.1
97.06541	10.8
99.08068	4.1
105.07040	25.2
107.04959	30.2
107.08594	41.7
109.06508	6.1
109.10175	16.1
109.86676	2.8
111.04448	18.5
111.08095	8.1
117.07007	18.2
118.74363	3.3
119.08595	22.3
121.06512	3.4
121.10146	49.5
123.08067	3.9
123.11707	5.5
125.05911	3.1
128.89832	2.8
129.06969	4.3
131.08578	19.9
133.10107	15.9
135.08057	3.8
135.11691	38.4
137.13225	4.0
139.11124	3.4
143.08572	5.3
145.06477	8.0
145.10114	39.1
147.11642	4.3
149.09613	9.2
149.13269	10.7
153.12790	9.9
155.08519	8.1
157.10153	4.0
159.11707	5.6
161.13284	2.9
163.11194	45.7
169.10139	3.9
173.09612	22.1
173.13274	4.3
181.12215	18.2
187.14720	4.0
191.10684	16.7
197.13177	2.9
205.19530	3.0
209.11717	11.0
215.17946	22.7
227.12727	18.5
233.18999	20.7
239.62201	3.4
265.14352	31.7
283.15411	90.8
301.16492	50.2
307.22687	100.0
379.24695	3.0
395.29245	3.1
441.30225	4.4
487.34131	8.3
497.32413	10.4
515.33746	54.3
533.34796	70.4
541.32825	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	727.2075
Annotation	Kaempferol 3-xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
51.24763	0.2
55.01860	0.3
57.03427	0.8
61.02940	0.9
68.99785	0.5
69.03432	1.4
70.06581	0.2
70.49534	0.6
71.01349	0.2
71.04980	0.7
73.02917	4.5
81.03388	0.4
85.02423	0.3
85.02904	5.0
90.77235	0.2
91.03922	0.2
97.02885	1.5
98.21076	0.4
99.04491	0.4
104.79862	0.2
105.03380	0.2
107.04944	0.2
109.02882	0.4
110.36983	0.2
111.00124	0.2
111.00803	0.6
111.04418	0.3
115.03938	0.9
121.02859	2.3
127.03909	1.1
129.05486	0.4
133.02875	0.3
133.04936	0.7
137.02354	0.8
145.04956	1.4
145.06424	0.2
147.04338	0.4
153.01825	2.8
163.06071	0.3
165.01804	1.4
182.97394	0.2
183.02881	0.8
185.06013	0.4
189.05293	0.3
199.06055	0.2
213.05437	1.2
218.00089	0.2
231.06523	0.4
241.04973	0.7
258.05252	1.0
259.05994	0.3
287.05490	100.0
288.05850	2.4
329.06555	0.3
353.06287	0.3
383.07724	0.2
419.09686	0.5
433.11319	6.5
434.11719	0.3
457.99017	0.2
595.16449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
55.01867	3.9
55.05514	26.9
57.03439	13.3
57.07055	5.2
62.78887	2.1
65.03923	5.8
65.64189	1.6
67.05505	100.0
68.00242	1.6
69.03432	14.7
69.07065	17.6
71.04977	5.9
71.08623	2.1
76.73466	1.6
79.05497	80.5
81.03053	1.8
81.03425	21.3
81.07059	81.2
83.04974	5.9
83.08627	9.6
85.02893	12.2
85.06563	3.2
91.05482	49.9
93.07047	83.9
95.04973	13.6
95.08607	58.2
95.83971	2.1
97.02888	10.9
97.06540	4.6
97.10161	4.7
98.21004	9.5
99.04453	5.0
99.08070	3.8
103.03922	5.3
105.04498	3.2
105.07031	32.5
107.04943	4.9
107.08598	39.4
109.02850	8.5
109.06517	5.6
109.10143	24.5
111.04426	4.1
111.08060	3.3
111.11667	1.7
117.06998	16.6
119.08588	29.1
121.06525	2.1
121.10146	41.6
123.08025	2.8
123.11717	9.0
125.09608	1.8
127.03899	8.8
129.06985	5.0
129.23082	1.6
131.08560	20.4
133.10136	23.1
135.08047	2.4
135.11688	22.7
137.09552	3.6
137.13252	2.9
139.11165	2.7
143.08614	4.3
145.04910	3.3
145.06482	2.4
145.10141	16.7
147.11710	15.3
149.05946	1.7
149.09628	3.6
149.13251	12.7
151.11212	2.2
155.08482	3.3
157.10144	4.0
159.08089	2.3
159.11705	16.2
161.09581	3.3
161.13242	7.8
163.14792	2.9
171.11713	3.9
173.13280	12.4
175.11163	2.7
177.12740	2.1
177.16315	2.3
181.10052	2.0
183.06540	5.2
183.11681	2.7
185.13240	2.4
187.14809	3.8
195.11604	1.9
201.16321	2.4
213.16451	3.8
215.17984	7.0
217.11946	1.8
233.18944	5.7
243.21024	3.8
261.22183	23.2
271.20605	2.6
289.18015	2.9
307.22665	48.3
335.22083	8.5
335.25848	4.9
380.34296	1.8
405.26486	3.2
619.43243	2.4
729.48767	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	727.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
57.03441	1.4
61.02932	1.2
68.30935	0.2
68.99791	0.4
69.03124	0.2
69.03433	2.7
69.80808	0.7
69.81225	0.4
70.06574	0.9
71.01350	0.6
71.04982	0.9
72.08144	0.3
73.02919	4.4
81.03415	0.5
84.04463	0.2
84.08134	0.5
85.02417	0.4
85.02908	5.7
86.09700	0.3
91.03886	0.3
97.02889	3.3
98.21008	0.7
99.04493	0.3
109.02876	0.6
111.00815	0.5
115.03944	1.4
121.02869	1.4
127.03915	1.3
129.05452	0.4
129.10243	0.3
133.04939	1.0
137.02370	0.4
145.04956	1.2
145.06331	0.3
147.04410	0.3
153.01837	1.8
161.05988	0.2
165.01871	1.3
169.13248	0.3
175.03964	0.2
178.22961	0.2
183.02925	0.7
185.05992	0.4
213.05452	0.8
231.06548	0.6
241.04910	0.7
258.05228	0.7
287.05499	100.0
288.05865	2.3
303.04965	0.8
306.05911	0.2
320.19293	0.2
329.06604	0.4
353.06491	0.3
400.48422	0.3
419.09891	0.6
433.11322	10.4
434.11444	0.3
623.04932	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.228
Annotation	Kaempferol 3-rhamnosyl-(1->4)-rhamnoside-7-rhamnoside
Peak:m/z	Relative Intensity
53.03933	0.4
55.01855	0.5
55.05499	1.3
57.03439	5.4
58.88806	0.3
59.04999	0.5
67.93809	0.3
68.99797	0.4
69.03433	3.3
70.06581	0.9
71.01330	0.7
71.04996	31.7
71.58266	0.4
73.02921	5.1
75.04487	1.6
79.05489	0.3
81.03418	0.4
83.04546	0.4
83.04987	6.3
85.02907	38.8
86.09686	0.6
87.04456	1.3
91.05435	0.4
95.04966	1.1
97.06513	0.4
99.04467	2.1
107.04990	0.3
109.02875	0.5
111.00807	0.4
111.04446	4.4
113.05987	0.9
117.05501	2.8
121.02859	3.3
123.04461	0.4
123.73311	0.3
127.03915	0.8
129.04514	0.5
129.05482	11.0
131.04829	0.3
133.02876	0.4
137.02321	0.4
145.04964	0.5
147.04401	0.5
147.06564	2.5
153.01833	2.4
153.05472	1.6
157.05017	0.4
157.06422	0.5
159.06589	0.3
163.06032	3.8
165.01855	1.7
171.06512	1.1
183.02940	0.4
183.06567	0.5
191.91191	0.3
192.10028	0.3
201.07547	0.6
213.05402	0.9
231.06535	0.4
239.09097	1.4
241.05000	1.0
258.05240	1.2
259.05981	0.3
263.05527	0.3
269.04483	0.5
275.11218	0.5
283.05966	0.8
287.05502	100.0
288.05844	2.4
299.05551	3.7
300.06241	0.7
311.05521	1.1
313.07025	0.3
325.07108	1.2
329.06564	8.6
337.07129	0.4
351.08630	0.6
353.06686	2.5
379.08127	2.0
397.09174	4.9
415.10284	3.7
433.11316	13.0
434.11810	0.4
579.17151	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.05486	0.1
56.04998	0.1
57.03409	0.3
57.03666	0.1
60.04483	0.1
61.02927	2.7
68.99765	0.2
69.03433	0.5
70.06600	1.0
70.18172	0.3
71.04955	0.3
71.15552	0.1
72.08121	0.4
72.41223	0.1
73.02924	0.7
81.03398	0.3
82.22832	0.1
84.04475	0.2
84.08109	0.3
85.02432	0.1
85.02905	2.2
86.09677	0.4
87.04447	0.1
91.03965	1.3
91.05504	0.1
93.67279	0.1
97.02300	0.1
97.02889	1.6
100.11239	0.1
101.21293	0.1
107.01313	0.6
107.88871	0.1
111.04388	0.2
115.03835	0.1
120.08124	0.2
121.02865	5.3
127.03890	0.4
129.10201	0.2
130.06535	1.1
133.02895	0.2
133.06450	0.1
137.02350	0.1
141.06972	0.2
145.04932	0.3
145.06465	0.2
147.04361	0.5
149.02307	0.2
157.06436	0.2
160.07545	0.1
161.05952	0.2
165.01825	0.9
169.06580	0.2
173.04611	0.2
173.05981	2.3
177.01707	0.1
183.02856	0.4
183.04381	0.1
185.06007	0.1
197.05919	0.5
199.03899	0.1
200.63013	0.1
201.05435	1.1
215.07114	0.1
217.02054	0.1
225.05463	0.3
229.04944	4.7
230.05232	0.1
243.06532	0.6
253.04968	0.3
257.04510	0.2
259.06018	0.1
271.06042	0.5
287.05359	0.2
299.05490	100.0
300.05838	2.7
325.55173	0.1
384.71857	0.1
416.11276	38.1
417.11563	1.6
439.10645	0.1
562.16864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42921	0.1
55.01878	0.3
56.61914	0.1
57.03432	0.3
57.85595	0.1
61.02927	1.6
67.05473	0.1
68.99826	0.2
69.03402	0.3
70.06579	0.9
71.04981	0.5
71.28641	0.3
72.08139	0.2
73.02908	0.5
81.03424	0.2
81.07022	0.1
84.04536	0.1
84.08141	0.2
85.02905	2.1
86.09709	0.4
91.03965	0.6
95.69672	0.1
97.02917	0.8
100.11221	0.1
105.03425	0.3
105.07001	0.1
107.04930	0.2
120.08111	0.2
121.01983	0.2
121.02865	4.1
123.00866	0.3
127.03919	0.2
128.76634	0.2
129.10223	0.2
130.06528	0.3
131.68060	0.1
133.06491	0.3
136.01007	0.1
137.02332	0.1
141.01837	1.5
145.01730	0.1
145.04910	0.1
147.04387	0.9
165.01852	1.4
169.06532	0.2
170.86279	0.1
177.01823	0.2
182.15419	0.1
183.02881	1.2
183.04350	0.2
197.05952	0.9
201.05496	0.3
215.07037	0.2
225.05428	0.9
243.06548	1.3
271.05994	0.8
299.05490	100.0
300.05841	2.5
301.07040	1.5
303.04868	0.1
416.11176	0.5
445.11310	1.0
461.10785	4.0
462.10910	0.2
742.68420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01640	0.2
55.01869	0.5
57.03410	0.4
58.72512	0.1
61.02919	0.8
67.05490	0.2
68.99765	0.1
69.03429	1.4
70.06590	1.0
70.43856	0.4
71.04967	0.5
71.28474	0.1
72.08125	0.2
73.02880	0.5
81.03428	0.8
81.07030	0.1
84.04506	0.2
84.08115	0.4
85.02438	0.2
85.02904	4.2
86.09676	0.5
87.04424	0.2
91.03931	0.3
91.05417	0.2
93.07020	0.2
95.08566	0.2
97.02891	1.6
99.04433	0.3
105.03425	0.1
105.07007	0.2
107.01325	0.7
107.28024	0.1
109.02863	0.6
111.04462	0.1
114.05612	0.1
118.06541	0.1
120.08056	0.2
121.01985	0.3
121.02862	5.6
127.03937	0.7
127.04692	0.1
129.10236	0.2
130.06500	1.0
133.06506	0.2
136.07533	0.1
137.02341	0.2
137.06009	0.3
141.01830	0.1
145.04903	0.3
145.06422	0.3
147.04391	0.5
149.02368	0.2
157.06436	0.2
161.50337	0.1
165.01842	0.7
169.06421	0.4
171.04457	0.1
172.07405	0.1
173.05972	2.3
177.01714	0.2
183.02896	0.7
183.04301	0.2
197.05975	0.6
201.05421	1.0
225.05446	0.4
229.04951	4.5
230.05252	0.1
243.06532	0.6
244.66524	0.2
253.04941	0.4
257.04312	0.2
262.26138	0.1
271.06036	0.5
285.07480	0.2
299.05487	100.0
300.05838	3.1
315.05081	0.3
316.05130	0.1
416.11264	35.4
417.11536	1.7
562.17029	0.6
716.52386	0.1
724.36792	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	719.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	1.4
59.73608	0.7
67.05508	1.2
68.80974	0.7
71.08643	1.2
71.58701	1.2
73.97299	0.7
74.03638	0.6
79.05486	1.1
81.07040	2.0
89.06042	1.7
91.05495	1.3
95.08583	1.0
95.37108	0.7
98.20795	0.7
105.07042	1.0
109.95612	0.6
113.46693	0.7
116.19054	1.0
120.08115	0.8
133.08580	0.9
135.11728	0.9
145.10094	0.9
209.10817	0.8
210.11578	1.2
221.10765	1.2
224.13011	1.0
225.10304	1.1
225.13947	2.9
226.14653	0.7
235.12448	0.9
237.13960	1.9
239.15466	1.0
249.13991	1.3
251.08163	2.0
276.64194	0.7
313.27478	1.0
403.15012	1.6
405.20819	1.4
417.17242	3.1
418.17859	2.3
431.18860	2.9
432.19507	3.3
433.20068	3.9
445.16241	1.5
447.21774	9.8
448.22443	1.5
459.21942	2.5
460.18814	1.5
474.20764	1.4
475.21283	25.1
476.22009	6.1
493.22269	1.0
503.20947	2.7
518.19611	0.8
519.23724	1.1
522.39276	1.5
533.22595	0.8
534.26392	1.3
535.23413	18.3
536.24249	1.3
547.23273	4.0
549.25110	1.9
561.24609	6.0
562.25781	6.1
563.27081	3.7
590.25220	2.2
607.26007	1.5
621.27173	9.6
622.27869	100.0
623.28253	6.4
701.33911	0.9
719.34302	4.7
719.45990	0.8
749.92731	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72483	0.6
51.05243	0.7
61.85915	0.6
65.00657	0.5
65.01989	0.5
69.30035	6.5
83.06885	0.6
89.06010	1.0
97.32597	0.6
98.21221	2.8
109.48645	0.6
117.63799	0.6
148.77187	0.6
210.11470	0.8
211.08554	1.0
221.10762	0.9
222.11549	0.6
223.08720	1.1
223.12392	0.7
224.02428	0.8
225.10291	1.2
225.13921	2.8
226.14543	1.0
237.13948	2.1
238.14645	0.8
239.15344	0.8
249.14046	0.7
251.08257	2.0
265.13416	0.7
270.13446	0.8
290.96988	0.7
311.14264	0.7
314.13028	1.2
343.25766	0.7
389.17731	0.8
403.15201	1.5
405.20819	1.2
417.16675	3.5
418.17706	3.0
419.18436	1.4
429.17380	0.8
431.18912	2.5
432.19519	2.3
433.20190	5.7
445.16574	2.2
447.21912	12.3
448.22513	2.1
458.16565	0.7
459.22101	1.2
460.19275	1.0
461.19586	0.9
473.20236	0.8
474.20633	0.7
475.21368	22.0
476.22095	4.8
477.22565	1.3
487.21106	0.7
489.22913	1.0
503.20062	3.0
515.20953	0.9
519.24103	1.3
521.25751	1.5
535.23370	15.4
547.23328	2.9
549.24780	1.8
561.24927	5.5
562.25714	3.5
563.26556	2.4
590.25159	1.1
607.25769	1.8
621.27142	7.6
622.27850	100.0
623.27899	5.8
719.34644	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05518	9.0
56.05017	2.7
56.17411	0.6
57.06838	0.7
57.07079	5.6
58.09482	0.6
58.96221	0.6
60.04528	22.6
62.48634	0.6
67.05173	1.2
67.05509	17.0
69.07070	13.8
70.06581	2.9
70.77089	1.9
71.08615	2.3
79.05058	1.0
79.05496	14.9
81.06580	1.0
81.07061	18.0
82.06598	0.9
83.08613	8.8
84.08129	0.9
85.10186	1.3
91.05487	3.2
93.07050	14.6
95.08611	15.3
96.08115	3.3
97.10179	5.4
98.09744	0.6
98.21056	0.7
100.07610	1.6
107.08592	7.3
109.10154	7.0
110.09643	0.7
111.11713	1.5
114.09195	1.2
121.10140	12.8
121.57840	0.6
123.11687	2.3
125.09579	0.9
135.11687	6.0
137.13234	1.0
149.13246	1.4
187.13301	0.6
199.14786	0.6
219.21078	0.7
220.72153	0.7
247.24272	1.9
252.26698	0.9
264.26843	11.3
272.25864	7.0
274.62817	0.7
282.27896	14.5
287.33002	0.6
300.28769	1.3
355.55453	0.7
518.49335	5.2
536.50397	100.0
537.50818	5.6
554.51440	24.5
555.51965	1.0
573.48291	1.4
618.45575	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3302
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
50.14504	0.9
51.22894	0.8
66.87601	0.8
67.05473	0.8
69.54713	0.9
71.57093	1.1
79.05511	1.1
116.09122	0.9
119.08639	1.1
131.08656	1.1
163.73640	1.0
164.23343	0.9
228.88272	1.1
715.33051	100.0
716.33459	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	715.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
65.03930	3.8
66.03460	2.3
67.05474	2.1
70.06590	4.0
70.61385	0.8
71.27753	0.9
71.57995	1.2
74.06111	0.8
76.71863	0.8
79.05489	3.9
80.05020	1.7
81.07024	1.7
84.04486	1.3
84.08138	1.6
85.02911	1.4
86.09702	2.8
90.00809	0.9
91.05459	4.4
92.05009	1.9
93.03403	4.1
93.05759	1.5
93.07049	5.2
94.06573	7.6
95.04958	1.0
98.73121	0.8
103.05489	4.2
105.07042	2.7
106.06573	2.1
107.08618	1.1
108.04456	6.4
108.08128	6.1
110.06037	0.9
113.05318	0.8
116.05024	1.8
118.06552	2.9
119.08539	0.9
120.04442	7.6
120.08111	28.1
122.06030	10.0
124.07603	2.8
130.06517	1.6
131.04922	2.5
132.08052	1.9
134.06030	6.6
136.07565	10.1
137.05966	2.6
138.05495	2.1
138.09116	1.1
144.04477	2.1
144.97818	0.9
146.06010	88.9
148.07573	43.6
152.07057	1.3
158.09689	1.2
160.04005	1.0
160.07568	6.2
161.05943	1.3
162.05510	1.2
162.09119	1.9
163.07584	0.9
164.07062	4.5
166.08612	2.9
170.09628	1.3
172.03963	5.6
172.07555	1.0
174.05559	1.2
174.09097	1.0
176.07112	1.6
180.10216	1.2
182.08281	1.3
182.09712	2.1
183.09105	1.3
184.09937	3.1
186.05516	1.5
186.09102	2.4
187.08823	1.2
190.03374	1.6
190.04997	19.7
194.09753	1.2
195.09138	1.9
196.09908	2.5
197.10756	3.1
198.09329	1.1
198.11415	1.0
199.08522	1.5
199.12355	4.6
200.57224	1.0
209.10721	6.9
210.09369	1.6
210.11482	3.7
211.08629	3.7
211.12306	3.0
212.09320	2.2
213.10223	1.5
221.06691	0.8
221.10583	1.2
223.08678	1.7
223.12241	6.4
224.09369	1.7
224.12930	1.2
225.10243	11.7
225.13834	6.1
226.10962	2.5
227.11783	30.9
228.12372	1.0
233.10745	1.0
234.07607	2.1
235.12292	1.3
236.09254	2.2
237.10255	7.2
238.10922	6.5
239.11829	6.7
241.09735	1.4
241.13353	2.3
249.10278	2.7
251.11833	7.1
252.08623	8.1
252.12595	3.1
253.09679	3.0
253.13367	20.7
255.11284	5.3
263.11874	1.6
264.09045	2.6
265.09656	1.8
265.13095	1.3
267.11319	2.5
268.12122	1.1
269.12830	12.8
271.10785	6.5
271.14273	2.2
277.09537	2.3
278.10410	1.6
279.11377	9.4
281.12848	21.0
283.10776	3.5
284.11493	4.6
285.12329	7.0
286.13297	1.5
287.13898	47.4
288.14664	1.6
289.13242	1.5
290.12823	1.3
293.13022	1.1
295.10712	3.6
297.12350	14.9
299.13922	8.2
300.11337	2.1
301.12271	1.2
302.12976	2.0
307.10645	4.2
311.13867	3.0
312.15158	1.3
313.15768	4.5
314.12985	3.0
315.13602	4.8
316.14417	5.6
317.15219	1.7
318.15906	1.1
321.12320	4.5
323.10239	4.0
325.11877	3.5
328.10776	1.7
328.14413	3.3
329.11865	1.3
329.15527	1.4
330.16006	7.5
331.16754	10.5
339.13635	6.5
340.14587	1.3
341.11496	1.9
341.14972	8.4
342.12399	5.8
342.16110	1.7
343.13190	3.2
344.13873	1.2
344.17719	2.2
346.19427	1.2
352.14743	1.1
355.17017	1.3
356.13977	4.9
357.14752	4.3
358.15561	8.8
359.12372	9.4
359.16238	1.5
365.11139	6.9
367.12939	4.9
370.15543	2.4
372.17139	4.2
373.17871	5.6
378.18140	13.1
382.12054	1.8
383.12457	2.7
384.13248	2.4
385.13931	100.0
386.14240	2.7
386.18698	1.6
390.18201	14.4
394.15469	1.1
397.15314	1.2
398.15097	9.4
399.15811	12.1
402.18057	2.8
411.11862	9.8
412.16776	1.7
414.18164	5.1
416.15991	10.5
417.16583	1.2
420.19122	18.6
422.16580	1.4
428.15930	2.4
429.12650	1.9
430.17834	1.7
432.19189	34.9
433.19489	1.2
440.16049	3.1
446.16827	6.8
458.17160	16.0
476.18158	1.4
521.25189	1.1
529.98315	0.9
565.24390	4.0
567.26361	4.6
585.26807	5.9
593.23944	9.2
609.26495	2.8
611.24872	14.8
627.28113	5.7
629.25726	1.2
635.24890	1.9
653.25903	9.7
655.23572	4.3
671.16718	1.4
671.27081	18.6
679.23572	3.8
697.25000	34.7
698.25049	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.8
66.03456	2.2
67.05497	2.2
67.46742	0.9
69.26064	2.0
69.26468	9.7
70.06599	3.8
72.08172	1.3
78.79580	1.0
79.05502	3.8
80.05005	1.8
81.07092	1.1
84.08145	1.8
91.05475	3.5
92.04987	1.6
93.03416	3.8
93.05791	1.4
93.07046	4.5
94.06577	9.1
95.04987	1.3
96.08131	1.4
98.21142	5.6
101.74784	1.1
103.05470	3.8
104.64536	1.1
106.06557	2.6
108.04483	9.1
108.08139	8.6
110.09638	1.2
116.04983	1.4
117.05801	1.3
118.06542	3.6
118.55428	1.0
120.04485	11.7
120.08110	28.1
122.06026	12.5
124.07623	2.3
127.62727	1.0
129.10291	1.0
130.06567	2.9
132.08067	1.2
134.06013	6.2
136.07555	9.4
138.05562	2.5
138.09158	2.2
144.04424	2.7
144.08067	1.3
146.06012	100.0
148.07578	45.5
152.07095	2.5
158.06067	1.4
158.09601	1.1
160.03975	1.9
160.07567	7.2
162.05492	2.2
162.09094	2.0
164.07109	2.9
166.08647	2.7
170.09784	1.2
172.03922	8.4
172.07579	3.1
176.07114	1.7
179.78532	1.0
181.08846	1.1
182.09715	2.4
183.09181	1.8
184.09933	2.5
185.10741	1.4
186.09145	2.3
187.08670	1.2
190.05000	22.3
195.09280	1.8
196.09898	2.4
197.10762	3.8
198.11488	1.4
199.08673	1.3
199.12306	4.3
207.09048	1.3
209.10776	4.4
210.07558	1.3
210.09613	1.6
210.11555	7.0
211.08690	3.9
211.12328	3.3
212.09465	4.1
213.10185	1.3
215.90126	1.1
221.10800	2.0
223.08575	1.4
223.12273	6.2
224.09415	3.2
224.13113	2.6
225.10237	11.5
225.13815	6.6
226.10817	1.5
227.11790	29.2
234.07582	2.0
235.08762	1.2
235.12369	1.3
236.09329	1.9
237.10191	7.2
238.10962	5.6
239.07951	1.1
239.11696	6.7
240.12531	1.3
241.09717	1.4
241.13463	2.0
249.10291	2.5
250.10979	1.2
251.08096	1.3
251.11906	6.8
252.08702	8.9
252.12633	3.0
253.09648	4.7
253.13359	21.7
255.11401	5.5
263.11966	1.4
264.08896	1.7
265.09677	1.3
266.10458	1.2
267.11295	2.6
269.12885	13.3
271.10715	6.1
271.14688	2.3
273.12329	1.3
277.09637	2.6
278.10526	2.6
279.11325	10.5
281.12881	22.8
283.10754	2.9
284.11523	4.9
285.12338	9.4
286.13086	3.3
287.13913	47.7
288.11176	0.9
288.14517	1.6
295.10870	2.6
297.12341	14.4
299.14008	10.4
300.11267	1.5
301.12186	2.0
302.13019	1.4
307.10757	3.9
311.13925	2.1
313.15564	3.0
314.12909	5.5
315.13541	4.9
316.14398	7.5
318.16064	1.4
321.12402	3.3
323.10339	3.5
325.11905	5.7
327.13934	1.3
328.10837	1.9
328.14447	3.1
329.15521	1.9
330.16043	10.7
331.16837	9.4
339.13602	6.8
340.14429	2.9
341.11627	2.3
341.15033	7.1
342.12360	6.1
342.16135	2.4
343.13086	3.5
343.51077	1.2
344.13773	2.5
344.17673	2.8
346.19379	1.4
354.16248	1.6
355.17035	1.5
356.13931	6.5
357.14529	4.0
358.15427	7.4
359.12390	8.6
359.16177	1.9
365.11444	9.3
367.12909	4.0
370.15439	3.8
372.17026	7.2
373.17865	6.3
378.18210	12.5
382.11798	2.3
383.12521	2.2
384.13266	2.6
385.13934	97.9
386.14337	4.4
386.18781	2.2
388.16434	1.3
390.18182	12.2
398.14969	9.8
399.15863	10.8
402.18228	2.9
404.20041	1.5
411.11774	9.4
414.18304	7.7
416.16000	11.1
419.18420	1.8
420.19156	17.3
428.15875	1.4
429.12897	2.0
432.19202	34.5
433.19336	1.7
440.16046	3.2
446.16956	5.8
458.17123	14.5
492.61685	1.3
565.24329	2.5
567.25842	3.9
575.23169	1.4
585.27234	4.6
593.23730	8.9
604.44067	1.4
609.26929	4.4
611.25006	14.3
627.28119	5.4
629.25720	1.6
635.24921	2.0
653.25952	11.8
655.23730	3.1
671.27118	15.7
679.23407	4.5
697.25012	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	715.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68338	1.9
50.71104	1.7
53.03950	2.5
65.03934	3.6
66.03448	2.2
67.91776	2.1
69.77702	7.2
69.78112	6.3
70.06609	10.3
76.22664	1.9
79.05495	4.3
81.07082	4.2
84.04556	3.3
84.08138	4.5
85.02899	2.8
86.09708	4.5
91.05492	7.4
93.03400	3.4
93.07043	8.5
94.06573	7.7
95.05035	1.9
95.08596	4.3
98.21555	2.0
103.05480	3.3
105.06966	2.1
108.04493	6.8
108.08116	6.4
115.52103	2.1
118.06563	4.3
119.07359	2.3
120.04494	9.1
120.08108	26.0
122.06045	8.9
124.07549	3.5
126.55115	2.0
129.06631	1.9
129.10374	2.4
134.06021	5.1
135.08125	2.6
136.07578	8.3
144.04460	3.6
146.06007	90.6
148.07581	38.8
160.07553	7.0
162.05484	3.2
162.09158	2.3
164.07051	5.2
166.08652	3.2
172.03958	4.9
184.09941	2.4
186.05461	2.4
190.04984	20.0
197.10739	4.4
199.12396	5.8
205.13118	2.2
209.10770	8.3
210.09415	2.9
210.11531	6.8
211.08725	4.4
211.12354	3.1
212.09367	4.4
223.12323	6.8
224.09528	3.5
225.10245	8.6
225.13878	5.1
227.11824	27.9
236.09450	3.5
237.10252	7.3
238.11037	6.0
239.11792	5.1
241.13528	2.2
251.11786	10.8
252.08679	8.9
252.12425	2.2
253.09639	4.3
253.11011	2.7
253.13364	21.1
255.11371	6.4
269.12888	12.6
271.10834	7.2
279.11243	9.5
281.12906	18.5
283.10635	4.9
284.11649	5.6
285.12396	5.4
287.13870	44.2
297.12354	13.3
299.13898	8.7
307.10751	4.7
314.13031	3.0
315.13562	6.5
316.14322	4.8
321.12302	5.7
323.10147	5.1
325.11859	4.9
328.14291	4.1
329.15265	3.6
330.16202	9.8
331.16870	10.6
339.13428	6.4
341.15009	8.2
342.12326	5.9
343.13205	2.3
344.17752	3.7
354.16019	3.8
356.13788	4.4
358.15445	8.8
359.12192	9.9
365.11469	6.7
367.13068	3.5
369.94580	2.2
370.15619	3.7
372.17154	5.9
373.17780	4.8
378.18060	10.1
385.13962	100.0
386.14673	6.5
390.18124	15.4
398.14874	10.8
399.15674	10.6
402.18091	5.1
411.11853	8.9
414.18091	8.1
416.16125	8.7
420.19046	18.3
430.17487	2.3
432.19165	33.4
446.17047	5.5
448.18835	2.4
458.16992	15.7
473.26004	2.5
567.25806	5.5
585.26984	5.9
593.23816	8.9
609.26666	3.2
611.24762	12.1
627.28107	7.6
653.25989	9.2
671.26910	15.1
697.24994	38.3
715.35309	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	713.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52728	0.2
52.19946	0.2
54.60627	0.2
55.01870	1.3
55.87978	0.2
56.06925	0.2
57.03435	3.6
59.04992	0.3
61.02930	1.9
65.03944	0.3
68.99792	0.3
69.03428	8.7
70.06603	1.1
70.18419	0.8
71.01347	1.1
71.04980	0.9
72.08144	0.2
73.02917	14.1
79.76892	0.2
81.03410	0.7
83.04975	0.3
84.04489	0.3
84.08138	0.6
85.02415	0.4
85.02904	5.3
86.06056	0.3
86.09694	0.5
87.04457	0.6
93.03403	0.2
95.04975	0.3
97.02895	10.2
97.98754	0.2
98.20808	0.3
99.04450	0.5
103.03942	0.4
107.04907	0.2
107.48927	0.2
109.02918	0.3
111.00790	0.7
111.04433	0.5
115.03928	6.9
119.04913	0.2
121.02868	0.9
127.03927	1.2
129.05469	0.6
129.10243	0.4
130.06538	0.5
133.04959	3.2
135.04381	0.3
136.07600	0.3
137.02353	2.6
137.05968	0.3
139.03893	0.7
143.03418	1.1
149.02367	0.5
153.01807	2.2
155.04781	0.2
157.04948	0.7
163.03912	0.5
165.01836	2.0
165.05447	0.5
169.04929	0.4
181.04823	0.3
183.02901	0.8
195.02888	0.2
201.05481	1.1
211.06009	2.9
229.04965	3.1
229.07132	0.9
247.05981	0.7
247.08228	0.4
257.04428	2.1
274.04669	0.7
285.03946	1.3
287.05679	0.3
303.04984	100.0
304.05319	2.4
315.04852	1.0
321.90002	0.2
327.05026	0.4
341.06470	0.3
345.05841	1.6
353.06799	0.4
369.06149	1.2
381.05896	0.5
399.07220	1.5
417.08197	1.1
435.09286	5.8
449.10791	11.4
450.10834	0.3
567.13477	0.5
581.14996	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01867	5.0
55.05506	11.0
57.03439	10.4
57.07069	1.0
57.08359	0.8
61.02916	1.6
65.03938	2.4
67.05504	40.2
69.03419	2.3
69.07061	8.9
69.48804	2.9
69.49230	2.6
71.04989	3.2
73.02899	0.7
75.19813	0.9
79.05490	43.0
81.03413	3.6
81.07054	32.9
83.01362	1.1
83.04961	2.4
83.08617	3.9
84.04481	2.2
85.02894	2.8
85.06540	1.4
91.05482	20.6
93.07040	36.7
95.04981	3.6
95.08604	22.5
96.04494	0.9
97.02879	5.1
97.06542	2.5
97.10178	1.6
98.20724	0.9
99.00828	1.8
99.04455	10.0
103.05466	0.8
105.07028	8.4
107.04945	15.3
107.08592	47.3
109.06510	2.3
109.10154	11.7
111.04446	2.1
111.08130	1.5
115.05450	2.9
117.07017	30.3
117.92888	0.7
119.04948	0.9
119.08575	7.4
121.06512	13.0
121.10155	10.5
123.11676	3.8
125.09645	3.8
130.04982	2.8
131.08565	5.4
133.06479	0.7
133.10146	4.5
135.08049	59.6
135.11649	5.8
136.08403	0.9
137.09598	1.5
140.10347	0.8
145.06462	7.4
145.10115	3.7
147.07663	3.5
147.11649	2.7
149.13264	3.7
151.11130	0.7
153.09102	9.4
159.11720	2.5
161.13251	2.8
163.07545	53.1
163.14809	1.8
173.13277	2.8
175.14774	1.0
181.08597	11.4
187.14807	2.6
199.09651	83.9
200.10066	0.9
202.81012	0.8
243.21103	4.9
255.12271	100.0
256.12558	2.3
261.22141	12.8
317.24756	3.4
335.25797	65.1
336.26080	1.0
355.77353	0.8
411.11069	0.9
415.13434	0.8
459.63779	0.9
515.33685	49.2
516.33838	2.4
518.71539	0.9
591.25946	1.5
622.85461	0.9
732.25409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01875	2.5
55.05266	1.0
55.05516	11.1
57.03441	10.3
57.07078	1.7
61.02925	0.8
65.03938	1.3
67.05510	40.5
69.03434	1.8
69.07076	8.7
70.97583	1.8
70.97926	0.8
71.04983	1.0
73.02915	1.0
79.05499	42.4
81.03414	1.7
81.07062	33.2
83.04964	2.8
83.08629	7.8
85.02882	1.3
85.06528	1.6
91.05486	17.0
93.07052	48.3
95.04967	8.2
95.08614	37.1
95.09228	2.0
97.02880	4.3
97.06545	3.9
97.10175	0.9
98.21158	0.9
99.04453	3.3
99.08076	2.1
103.05547	0.8
105.07034	12.2
107.04976	6.4
107.08605	28.8
109.06519	2.7
109.10159	8.2
110.23219	0.7
111.08103	1.2
115.05495	0.9
117.07038	9.6
119.08584	11.1
121.06547	5.1
121.10149	23.1
123.08079	1.5
123.11700	2.9
125.06014	1.8
127.03909	1.3
130.07762	2.0
131.08580	5.5
133.10129	5.9
135.08087	1.8
135.11702	38.3
137.09663	0.7
137.13356	0.8
139.07527	1.1
142.53119	0.8
143.08557	0.9
145.09033	1.5
145.10135	21.6
147.11729	3.2
149.09615	1.6
149.13248	2.8
159.11710	1.9
161.13171	1.2
163.11195	41.5
173.13295	1.9
181.12222	6.5
199.26764	0.8
209.11769	1.0
215.17976	8.2
226.65027	0.9
227.12799	55.8
228.13098	1.4
233.19067	7.8
283.15405	53.4
284.15866	1.7
289.21558	1.0
307.22687	100.0
308.23062	2.5
353.15955	0.9
515.33710	70.3
516.33734	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	709.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
55.05514	1.8
57.03436	0.4
57.07055	0.3
65.03943	0.3
67.05507	4.3
68.99805	0.6
69.03426	0.9
69.07054	1.1
69.50275	2.3
71.04989	0.6
79.05121	0.4
79.05500	3.9
81.03428	1.2
81.07055	4.7
83.04987	0.3
83.08605	0.6
85.02914	1.5
85.06548	0.3
91.05490	2.8
93.07051	3.7
94.92995	0.2
95.04956	0.7
95.08604	3.6
97.02867	0.9
97.06565	0.3
98.21256	1.0
105.03384	0.3
105.07061	2.1
107.04991	0.5
107.08579	1.9
109.02917	0.6
109.06593	0.3
109.10167	1.3
111.00797	0.9
111.04408	0.4
117.07014	1.3
119.08604	1.9
121.02859	2.6
121.10168	1.9
123.11723	0.5
127.03922	0.7
129.06992	0.3
131.08578	1.3
133.02873	0.7
133.10138	1.2
135.11708	1.5
137.02348	0.4
145.10126	0.9
147.04404	0.5
147.11691	1.0
149.13260	0.8
153.01817	3.9
155.95213	0.3
157.06514	0.4
157.10086	0.4
159.11716	0.7
161.13220	0.6
163.31149	0.3
165.01839	2.3
171.11725	0.3
173.13264	0.8
183.02905	0.7
185.05975	0.6
185.13148	0.3
213.05542	1.6
231.06606	0.8
241.05020	0.9
249.32878	0.3
258.05194	0.9
259.05927	0.3
261.22058	1.7
287.05515	100.0
288.05853	2.1
329.06506	0.4
367.44186	0.3
369.24283	0.5
395.07077	0.4
401.94263	0.3
537.37030	0.4
709.44739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
57.03433	1.5
57.09104	0.1
61.02909	0.2
65.03934	0.2
67.78857	0.1
69.03407	0.3
70.06597	0.9
71.04994	8.2
72.01128	0.1
72.08125	0.1
72.23662	0.2
73.02908	0.2
75.04450	0.3
83.04958	0.4
84.04456	0.1
84.08118	0.3
85.02908	8.4
86.09663	0.3
87.04445	0.3
98.21145	0.4
105.07020	0.2
107.01311	0.4
108.08035	0.1
111.04408	0.3
121.01985	0.3
121.02864	6.8
129.05475	1.8
130.05580	0.2
130.06528	4.4
133.06471	0.4
144.08037	0.5
145.06377	0.2
147.04384	0.7
147.06525	0.2
149.02309	0.2
165.01828	1.8
169.06454	0.4
172.07478	0.4
173.06003	1.6
183.02872	1.1
183.04376	0.3
187.07518	0.2
197.05928	0.6
201.05408	0.7
225.05356	0.5
229.04958	3.1
240.10213	0.2
243.06509	1.2
246.11115	0.2
253.05075	0.4
257.04501	0.3
259.83752	0.2
261.79004	0.1
269.99927	0.2
271.05981	0.5
276.12210	0.3
292.64893	0.2
295.57816	0.2
299.05496	100.0
300.05826	3.3
311.05548	0.3
329.06735	0.2
397.09125	0.3
409.09164	0.2
416.11288	24.0
417.11517	1.0
428.11282	0.3
433.11392	1.0
434.55774	0.2
458.12457	0.2
562.17346	0.8
584.09833	0.2
676.70575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.05492	0.1
56.14537	0.1
56.49635	0.1
57.03436	0.6
65.03915	0.1
68.99795	0.2
69.03413	0.2
69.24527	1.1
69.25253	0.1
70.06581	0.3
71.04991	4.3
75.04463	0.2
82.83983	0.1
83.04959	0.1
84.08144	0.2
85.02901	5.1
86.09713	0.3
87.04485	0.2
91.05464	0.2
95.04988	0.2
97.06577	0.1
98.21308	0.6
105.03374	0.3
107.04943	0.2
111.04404	0.1
120.08112	0.2
121.02865	4.7
123.00846	0.4
128.09322	0.1
129.05486	0.6
129.10196	0.1
130.06496	0.3
133.06509	0.1
137.02333	0.3
137.69850	0.1
141.01823	1.9
141.07011	0.1
144.08026	0.2
147.04404	0.7
149.02350	0.2
165.01830	1.4
169.06477	0.3
172.07559	0.1
173.06055	0.2
183.02888	1.6
183.04454	0.2
197.06000	0.9
201.05455	0.4
215.07002	0.3
225.05522	0.8
243.06543	1.3
271.05930	0.5
276.12335	0.2
299.05487	100.0
300.05835	2.5
301.07086	1.6
366.70184	0.1
416.10715	0.1
428.11218	0.3
441.45132	0.1
445.11380	1.7
458.12656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
56.33012	0.7
67.05511	2.0
69.03425	1.3
69.07077	1.3
70.06579	3.4
70.93185	1.3
70.93497	1.4
79.05495	6.4
80.05035	1.7
81.07032	1.5
81.84229	0.9
84.08129	1.9
85.28193	0.8
86.09687	2.5
91.05481	4.8
93.05781	1.1
93.07050	4.2
94.06567	2.3
95.04966	1.6
95.08625	1.4
99.44724	1.0
103.05460	5.7
105.05760	1.4
105.07047	1.8
106.06552	11.0
108.04483	1.0
108.08123	2.8
109.10163	1.0
118.06551	2.2
119.07285	1.1
120.04438	1.5
120.08099	25.0
122.06026	10.1
124.07565	1.0
127.07581	1.2
127.96259	0.8
129.10162	0.9
130.06549	1.7
132.08121	1.4
133.10130	1.2
134.06010	3.7
136.07544	4.4
137.05969	1.0
138.09145	1.4
143.08588	0.9
146.05995	4.6
148.07568	40.2
152.07054	1.4
160.07613	1.3
164.07086	2.1
166.08571	2.0
175.08650	1.1
189.10304	1.0
197.10715	1.1
198.09128	0.9
198.11577	1.0
199.08717	1.4
201.10150	1.4
202.08600	1.7
209.10716	1.5
210.11487	1.6
211.08716	1.8
211.12166	1.9
212.09404	1.8
213.10251	5.1
215.11748	1.3
220.58165	0.9
224.09178	1.6
225.10219	10.9
225.13814	1.4
226.10950	4.8
227.11775	3.7
236.09462	1.3
237.10265	2.6
238.11063	2.9
239.11769	8.3
240.12637	2.7
243.11308	4.0
249.10223	1.5
250.10985	1.5
251.11769	6.0
252.08672	4.3
252.12457	2.4
253.09712	1.1
253.10992	1.1
253.13359	8.8
255.11226	3.4
259.10947	1.0
263.11874	1.5
265.13409	2.9
267.11353	2.5
267.14304	1.0
271.10681	1.2
273.12225	2.2
274.13089	1.1
279.11282	1.5
279.14542	1.0
280.12085	0.9
281.12811	1.6
283.10748	1.1
285.12433	3.6
288.15012	1.6
296.11478	1.1
297.12442	2.5
298.13068	3.3
299.14047	4.1
300.14951	1.4
301.12460	1.1
302.12881	1.9
303.13559	3.3
304.14703	1.4
311.10690	1.2
311.13843	5.7
312.14551	1.1
313.11963	1.3
313.15469	2.1
314.12955	1.2
314.16589	1.2
315.14185	1.0
316.10956	1.1
316.14520	1.7
317.11664	1.8
318.16022	1.5
320.13831	1.3
322.11584	1.0
327.13461	13.1
327.17157	1.7
328.14584	1.5
328.18091	1.4
329.15292	1.3
330.12415	2.3
330.16028	2.0
331.13135	1.9
332.13846	4.0
334.15283	1.9
340.17999	1.5
342.12250	1.1
342.16010	2.1
344.13995	2.4
345.14865	2.5
346.15399	4.0
347.16504	2.1
348.13385	1.1
348.17136	1.3
356.13885	1.4
358.15543	2.4
359.16422	1.2
360.17197	2.4
363.15738	1.7
371.16266	1.2
373.14218	1.3
374.14618	1.4
374.18890	1.8
376.16492	1.8
384.17123	1.7
385.14066	2.7
388.16415	1.8
390.18152	2.3
400.16626	1.1
402.17966	2.9
408.19083	5.0
412.16656	1.9
418.17657	4.3
419.18237	1.0
420.19083	3.2
421.17542	2.0
430.17673	8.8
431.17203	1.4
434.17010	1.2
436.18680	56.2
437.19095	2.6
438.20694	1.1
448.18677	100.0
449.18872	4.7
454.19711	14.6
462.20163	2.3
466.19751	27.2
470.34354	0.9
544.49689	1.0
555.25800	2.2
565.24969	1.6
583.25598	12.8
599.38153	0.9
601.26636	6.0
625.26453	8.1
626.25513	1.2
643.27264	3.5
669.25336	11.9
687.26410	13.4
705.28119	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	705.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
54.80698	0.6
55.01867	1.0
63.81151	0.7
67.05478	1.0
70.06586	2.9
70.72421	1.9
79.05490	4.7
80.05029	1.9
81.03416	0.8
81.07061	1.1
84.04507	1.0
84.08143	1.4
86.09697	1.9
91.05488	3.6
93.07057	4.2
94.06546	2.4
95.08578	0.8
96.08128	0.8
98.21230	1.0
103.05457	4.5
105.05782	1.3
106.06554	14.3
108.04424	1.2
108.08114	4.4
118.06538	1.8
119.07296	1.0
120.04433	1.2
120.08109	22.5
122.06033	8.3
124.07608	0.8
126.05515	0.9
130.06505	1.2
132.08104	1.3
134.05972	3.8
135.00954	0.8
136.07581	3.1
138.09158	1.5
146.06013	4.1
148.07570	42.2
150.09154	0.7
155.43846	0.8
160.07571	1.6
164.07013	1.8
166.08583	2.1
171.09181	0.8
178.08699	1.8
186.09172	0.9
187.08611	0.9
197.10796	1.7
198.09270	0.8
199.08675	1.2
200.10875	0.8
201.10284	1.5
202.08658	0.9
211.08725	1.6
211.12373	0.9
212.09419	1.1
213.10210	5.7
215.11777	1.8
218.08008	0.7
223.12195	0.9
224.09360	1.7
224.12959	0.8
225.10239	12.9
225.13852	1.6
226.10907	4.6
227.11731	3.8
236.09312	0.9
237.10268	3.0
237.13817	0.8
238.10999	2.7
239.11760	7.9
240.12498	2.4
241.13290	1.1
243.11197	3.1
249.10251	1.3
251.11821	5.8
252.08678	6.8
252.12582	2.2
253.13300	5.7
255.11208	1.5
255.14801	0.8
256.11963	1.2
257.12766	0.9
263.11838	1.9
265.09634	1.1
265.13412	3.7
266.14209	1.5
267.11353	2.7
267.14728	1.0
270.13571	1.3
271.14383	0.9
273.12396	2.2
277.13330	0.9
279.11411	1.6
279.14551	0.8
281.12863	1.8
285.12305	4.2
288.15125	1.0
291.11365	1.0
291.14462	0.7
292.14679	0.9
293.12540	0.8
296.11700	0.8
297.12213	3.3
298.13022	4.6
299.13904	3.7
300.15009	0.9
301.12274	0.8
302.13010	2.3
303.13449	1.9
304.14615	1.6
307.10147	0.8
311.13898	5.7
312.14795	1.5
313.15686	3.5
314.13126	1.0
315.14096	0.9
316.14453	2.8
317.11664	1.1
318.12665	0.8
318.16122	1.9
320.14218	1.4
323.13907	0.8
327.13373	10.7
328.14413	2.2
328.17957	1.3
330.12338	2.4
330.15970	1.6
331.13217	1.8
332.14212	3.3
332.17657	1.1
333.14914	0.9
334.15521	1.0
335.16034	0.8
338.16083	1.2
339.13309	0.9
342.12250	1.1
342.15979	1.1
343.13904	0.9
344.14069	2.2
345.14706	2.6
346.15588	3.5
347.16278	2.5
348.17114	1.4
355.13232	0.9
356.13882	1.5
357.14786	1.9
358.15512	1.6
360.17032	2.8
361.17847	0.7
363.15768	2.6
370.15622	1.5
373.14560	1.6
374.14667	1.2
374.18817	1.6
375.15884	1.0
385.13986	3.0
387.15820	1.1
388.16489	2.2
390.18073	3.3
394.17972	1.3
400.16492	2.3
401.14847	0.8
402.18100	3.1
403.16275	1.0
406.17587	0.9
408.19247	5.8
412.16812	1.8
418.17575	4.3
419.18167	0.7
420.19321	2.8
421.17587	3.2
430.17590	7.8
436.18680	51.9
437.18997	1.9
448.18671	100.0
449.18958	4.7
454.19748	17.5
454.25616	1.4
455.20148	0.8
462.20349	2.0
466.19727	34.6
467.20004	1.2
469.78473	0.8
524.81525	0.8
537.24677	1.2
553.69434	0.8
555.25861	2.5
565.24377	3.0
583.25439	11.7
601.26630	5.8
615.27405	0.8
625.26514	9.6
643.27594	2.2
651.25201	0.8
659.27197	1.1
661.28644	1.1
669.25568	10.3
687.26617	12.1
688.26294	0.7
705.27881	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	701.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37253	0.5
70.40543	1.1
70.40937	1.0
74.12663	0.4
93.07039	0.7
98.20892	0.6
118.07378	0.5
122.05663	0.5
133.10170	0.5
185.04153	0.6
187.06633	0.5
345.09277	0.6
347.09518	1.1
392.37433	0.5
539.31927	18.1
540.31470	0.7
701.37170	100.0
702.37506	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	703.2972
Annotation	Taccalonolide A
Peak:m/z	Relative Intensity
55.05533	2.1
60.89889	1.8
64.15124	1.5
67.05496	4.3
71.58628	2.6
74.55205	1.7
77.50430	1.7
79.05524	3.7
81.07057	3.8
91.05472	2.7
93.07028	3.8
95.08599	3.5
105.07069	2.8
107.08610	2.1
119.08597	2.3
120.08054	1.7
135.19547	1.8
144.08131	1.6
145.07643	2.2
175.09055	1.7
187.76338	1.7
208.09653	1.9
209.10774	6.4
211.12318	4.7
215.08217	1.7
223.12166	8.5
224.13087	6.5
225.13918	8.4
226.14690	2.1
227.15410	2.4
229.06052	2.6
236.09595	2.0
237.10228	2.1
237.13881	11.6
238.14658	5.6
239.15424	7.7
251.11865	3.1
253.13434	4.1
265.13290	6.9
266.14148	5.4
267.14856	5.0
270.36743	1.8
286.02200	1.6
305.12024	2.6
306.12463	3.2
309.16226	1.8
312.14929	1.6
314.16510	1.9
316.18051	2.3
325.15378	4.5
328.18991	2.1
374.18686	1.8
388.20267	3.0
399.22330	2.0
402.21658	2.4
404.23676	2.7
411.18591	1.9
427.21521	3.0
435.18396	2.2
455.20776	2.6
465.20438	1.7
490.23431	6.4
491.23886	4.3
496.23291	1.7
497.25082	2.6
498.23593	4.6
513.24817	3.7
514.25787	3.2
523.23120	5.3
524.23700	2.1
541.24261	7.3
542.25226	2.3
551.22693	2.8
569.23645	5.2
583.25195	4.8
601.26532	10.7
611.24994	23.7
617.56671	1.8
629.26117	24.3
639.24762	2.3
643.17145	2.2
643.27673	39.8
661.28485	5.8
671.27130	100.0
672.27289	3.9
703.29791	26.4
703.40881	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	700.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35032	1.3
53.55235	1.6
55.05509	6.7
57.03440	3.3
57.07080	38.6
61.02935	14.8
67.05510	17.0
69.03418	2.6
69.07071	8.5
70.98908	2.6
71.08638	31.3
73.02911	3.6
79.05481	4.3
81.03410	3.1
81.07056	19.1
83.08626	10.4
84.87104	1.6
85.02908	20.5
85.10186	21.0
89.06026	1.9
91.03961	14.0
93.07053	4.5
95.04980	1.7
95.08606	27.1
97.02909	7.6
97.10169	11.2
99.04477	1.6
99.11736	2.0
105.07021	3.0
107.08588	2.6
109.10151	15.1
111.11718	4.7
123.11703	4.7
127.03917	4.5
136.06195	32.2
137.06659	7.3
137.13217	2.8
145.04973	6.1
152.05672	2.2
163.05997	11.8
184.07365	2.9
267.26865	26.0
279.87225	1.6
285.28113	2.8
341.30527	100.0
342.30893	4.6
359.31583	29.9
543.63623	1.7
613.88800	1.7
634.68085	1.5
682.44580	3.2
700.45197	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50619	0.4
63.71457	0.5
65.03944	0.6
67.05493	1.3
69.07078	0.7
70.06586	1.4
70.48230	1.0
70.48617	1.0
79.05500	2.5
80.05038	0.6
80.60787	0.5
81.03362	0.5
84.04507	0.7
85.02882	0.8
91.05492	1.7
93.07037	2.8
94.06577	2.0
95.08608	0.7
103.05468	2.3
105.07024	0.9
106.06522	0.6
107.07327	1.1
108.08116	7.3
109.02871	0.6
118.06545	1.1
120.04428	0.7
120.08115	15.3
122.06055	1.1
122.09686	3.1
124.07617	1.0
130.06584	0.7
134.06013	2.1
136.07584	9.7
138.09131	1.2
148.07578	37.0
150.09161	6.2
164.10715	0.6
166.08675	3.6
176.10501	0.6
197.10736	0.9
208.09648	1.3
209.10793	0.7
210.11400	0.8
211.08798	0.7
211.12315	1.2
212.09500	0.8
213.10320	1.3
223.08794	0.8
223.12325	1.3
224.09413	1.1
225.10260	6.7
225.13895	0.8
226.10991	2.7
227.11862	1.1
235.08672	1.8
236.09409	2.7
237.10210	14.9
238.11037	4.6
239.11787	6.7
240.12531	1.1
241.09789	1.1
241.13397	1.2
242.10522	0.6
249.10278	2.5
250.11069	1.7
251.11813	11.5
252.08945	2.1
252.12563	11.8
253.09729	8.2
253.13371	5.2
254.10193	0.9
255.11267	4.2
261.10379	0.9
262.10910	0.9
263.11868	1.1
264.09000	4.1
265.09784	5.3
265.13162	1.2
266.10434	1.5
267.11270	9.2
268.12119	1.4
269.12881	1.8
277.09790	0.6
279.11273	9.8
280.12122	3.3
281.12787	3.5
282.10043	5.9
282.13226	0.9
283.10699	1.1
284.11621	0.8
285.12369	6.2
293.13068	0.6
294.09943	0.9
295.10995	1.2
295.14334	8.8
296.11621	3.4
297.12338	23.1
298.12976	0.7
307.10825	2.3
309.12384	1.5
310.09616	0.7
311.10498	1.0
311.13797	5.3
312.11008	3.8
312.14206	0.6
313.11810	18.2
314.12469	1.4
314.16241	0.5
316.14529	0.7
324.11267	0.7
324.15021	0.6
325.11823	29.8
326.12448	1.2
327.13425	8.1
328.14316	1.7
329.15320	0.8
330.16074	1.2
332.17624	0.8
339.13443	10.6
340.14285	2.6
340.18243	1.2
341.11658	0.6
341.15219	0.9
342.12457	1.5
342.16107	0.9
343.13107	0.7
344.13895	1.1
344.17575	1.4
355.13461	0.6
356.13879	1.5
356.17834	0.6
357.14725	1.9
358.15503	1.2
360.17120	0.6
367.13110	0.7
370.15454	1.4
371.16519	0.7
372.17081	1.0
384.17273	1.1
385.14099	2.3
386.14539	0.6
386.19003	1.2
388.20419	0.7
399.15759	1.3
400.16479	0.6
402.18390	0.8
404.19684	2.7
412.16595	1.2
414.18622	0.9
416.15765	0.8
418.17676	2.0
419.18353	0.6
430.17618	7.5
431.18311	0.8
432.19186	4.7
447.18057	1.0
460.18692	3.9
462.20120	1.7
464.21869	1.0
474.19891	0.7
475.20615	0.7
478.19843	1.1
492.21436	2.8
493.22162	2.6
502.19830	0.8
520.20966	7.4
534.22424	6.3
535.23163	20.0
536.23499	1.3
537.25220	0.9
562.09924	0.6
564.19745	4.7
565.24365	1.7
578.21423	14.3
579.22125	100.0
580.22424	6.0
583.25342	1.8
607.25116	0.9
625.26581	13.2
626.27087	0.9
651.25720	0.7
669.25470	13.7
670.25983	0.7
701.30408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47731	0.5
53.03940	0.5
57.03439	0.8
57.06636	0.5
57.54041	0.4
61.02924	1.1
64.47934	0.5
65.03938	0.5
69.03422	2.0
70.06591	4.6
71.04978	0.5
71.57640	0.7
71.58012	0.8
72.08157	1.1
79.05484	0.8
81.03401	1.8
84.04509	1.7
84.08140	0.9
84.23273	0.5
85.02904	7.2
86.06057	0.9
86.09679	0.9
87.62718	0.5
91.03953	0.7
91.05470	1.7
94.04185	1.2
97.02881	2.4
103.05460	1.4
107.04977	0.7
109.06528	0.8
110.07170	1.2
111.04409	0.9
112.97268	0.6
115.05449	5.9
117.07027	1.9
119.04925	1.1
122.03634	3.5
125.05996	1.6
127.03967	1.1
128.06244	1.6
129.06993	5.0
129.10228	0.9
130.05017	1.2
131.04922	3.4
136.07579	0.6
137.05972	77.4
138.06369	0.7
143.04921	9.9
144.05685	1.6
145.04947	2.4
145.06424	1.6
147.04427	1.6
148.06056	1.1
149.05942	0.9
151.03911	0.7
153.05431	2.1
157.06476	4.1
160.05183	13.7
161.05962	2.7
162.07607	0.6
163.07510	2.2
172.05205	2.1
173.05962	0.7
174.06740	1.9
175.07542	100.0
176.07884	2.0
177.05455	0.7
179.04865	0.6
179.06839	0.7
180.08537	0.7
187.07533	34.8
188.07967	1.0
189.07341	0.8
189.09070	6.6
199.07384	0.9
200.28793	0.7
203.08484	1.3
203.92902	0.7
205.08603	24.2
211.07526	2.2
215.06824	0.6
217.08563	3.3
219.08037	2.0
231.07980	1.8
235.09637	29.2
239.07036	1.8
247.07553	1.1
248.08290	2.2
251.10722	1.4
255.06767	0.7
259.07489	1.4
263.10712	3.0
265.08676	0.8
269.08270	0.7
270.08777	1.3
271.09641	3.5
276.07629	0.7
279.10068	2.4
283.09631	1.0
291.10123	5.9
293.08185	0.8
296.10251	0.8
308.10281	0.6
311.12912	4.1
323.12741	6.7
341.13797	10.8
472.73291	0.6
614.59814	0.7
733.14581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97197	1.0
53.03933	2.0
55.01863	2.5
55.05485	1.4
56.05030	2.3
57.03433	1.9
61.02916	2.0
62.78727	1.1
65.03953	1.9
67.05479	1.3
69.03409	4.4
70.02941	4.6
70.06589	12.3
70.60098	1.1
71.58688	1.3
72.08149	3.0
79.05483	4.3
81.03400	2.0
84.04507	4.6
84.08130	3.8
85.02906	7.8
86.09697	4.4
91.05487	10.4
94.04185	3.5
95.04958	5.6
97.02872	2.0
97.06548	8.0
98.06864	2.1
100.11245	2.3
103.05452	3.7
105.07050	9.9
107.04951	9.8
115.05473	5.8
118.04150	1.4
119.04958	10.4
119.08560	1.9
120.08124	2.6
121.06480	3.1
122.03684	6.7
123.04397	1.5
128.06245	6.2
129.06973	5.2
129.10205	2.2
130.05013	3.0
131.04924	8.9
132.05705	1.4
132.08047	1.3
133.02809	2.6
133.06487	6.9
134.93935	1.3
135.04410	2.4
136.07590	2.4
137.05986	81.4
141.06956	1.3
143.04947	1.8
144.05681	3.8
145.06047	9.4
146.06360	1.3
147.04402	9.2
147.08011	2.3
149.06033	5.9
151.03960	2.0
151.07535	1.5
156.05701	3.0
157.06445	1.3
159.08047	9.9
161.05977	18.4
162.06703	1.4
163.07458	2.4
165.05501	1.1
165.06894	1.5
167.07018	2.7
171.04427	2.7
171.07980	1.5
172.05193	9.6
173.05939	1.4
174.06758	1.4
175.07573	22.5
177.05519	2.0
178.07826	4.9
179.07042	3.6
179.08504	2.5
181.06470	1.3
184.05194	4.0
185.06006	3.1
186.06761	3.8
187.07555	50.2
189.05490	1.4
189.07014	3.6
189.08955	2.3
190.07761	6.0
191.07106	2.3
191.08556	7.9
192.99529	3.5
193.10120	2.1
194.07257	1.6
195.01212	2.5
195.08061	1.4
196.01447	1.6
198.06767	1.8
199.05721	2.5
199.07541	34.8
202.07755	8.8
203.08566	13.2
204.09409	1.8
205.06429	3.9
205.10219	1.5
206.07230	7.0
207.08020	4.9
208.08846	2.2
211.07204	2.7
215.08545	4.1
216.07838	8.5
217.06497	2.8
217.08598	6.5
218.07245	9.5
219.08086	15.4
220.08804	3.8
221.06064	1.6
221.09576	11.6
222.06738	1.3
223.07625	1.7
225.09181	1.8
231.08049	12.1
232.08775	5.2
233.09547	8.3
234.06757	6.0
235.07484	7.4
236.08307	1.8
237.09135	2.4
243.08043	1.9
244.08835	1.5
245.06052	1.2
246.06718	4.5
247.07616	6.4
247.11122	1.6
248.08272	8.2
249.09099	18.6
250.09885	5.0
251.07051	2.3
251.10669	11.0
253.08571	1.9
259.07510	5.1
260.08246	3.4
261.09134	12.8
262.06369	1.8
262.09668	2.0
263.06897	2.4
263.10565	5.0
264.08136	2.2
264.10794	1.2
265.08527	5.6
265.12076	1.4
273.08951	1.5
275.07150	3.0
275.10495	2.1
276.07761	5.2
277.08618	14.7
278.09360	10.2
279.10153	10.1
281.08191	1.6
281.11740	4.9
285.11148	3.8
289.05511	2.0
289.08582	9.6
290.05621	2.8
290.09058	3.0
291.06787	9.6
291.10123	12.7
292.07169	9.1
292.10553	2.1
293.11636	21.0
294.08841	1.6
297.11392	7.1
303.10013	1.5
306.08917	2.1
307.09579	3.9
309.11209	100.0
310.11646	2.9
311.12787	19.1
315.12177	4.3
321.11221	52.5
322.11731	5.4
323.12900	7.4
333.09854	1.5
335.12744	5.1
347.12772	3.0
361.09399	1.6
418.10568	1.1
419.09866	1.9
435.99597	1.2
459.17999	2.2
467.11386	1.2
469.16605	1.8
471.17911	1.2
489.19141	1.9
534.78149	1.3
570.14520	1.6
624.15533	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	698.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27486	1.4
52.93460	1.5
55.05514	31.5
57.03446	7.8
57.06863	1.5
57.07081	16.7
61.02635	2.4
61.02927	28.6
67.05169	3.4
67.05507	39.6
69.03442	4.1
69.06714	2.9
69.07068	41.5
69.78683	6.2
69.79117	3.4
70.06562	1.7
71.04990	2.7
71.08630	11.0
73.02910	11.9
75.04473	2.8
79.05499	17.1
81.06580	2.7
81.07059	49.3
83.08621	40.4
85.02901	32.8
85.06571	2.4
85.10167	8.0
91.03960	29.8
91.05489	3.0
93.07047	25.2
95.08611	46.4
97.02903	17.5
97.06537	8.9
97.10178	26.9
97.41789	1.7
98.21073	5.5
99.04420	2.1
99.08126	2.6
105.06976	2.1
107.08592	18.6
109.10159	24.0
111.08071	3.7
111.11725	9.7
115.03971	2.2
117.05462	1.6
119.08582	3.9
121.10154	37.5
123.11713	6.2
125.09615	2.9
125.13263	2.0
127.03960	8.5
135.11705	29.8
136.06145	2.1
137.13292	2.9
139.11160	5.5
145.04944	13.8
149.13287	16.0
150.39384	1.6
151.14813	5.8
152.52803	1.8
153.12703	2.2
163.06039	20.8
163.14835	4.0
165.16389	2.9
177.16373	2.5
191.17850	2.5
205.19591	1.9
215.67989	1.7
247.24220	39.0
265.25278	100.0
266.25809	2.5
283.26346	17.3
339.28955	93.8
357.30002	53.0
358.30389	2.9
501.34119	2.0
520.70917	1.9
654.90515	2.0
698.47339	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	698.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.05513	28.2
57.03429	11.6
57.07067	16.1
60.58884	1.7
61.02923	25.4
67.05502	44.1
69.03415	5.8
69.07068	51.5
71.04999	2.6
71.08633	11.3
71.11991	3.9
73.02930	10.6
73.03257	1.9
75.86942	1.9
79.05480	19.9
81.03419	4.3
81.07058	49.2
83.08620	41.6
85.02911	31.5
85.10185	5.8
89.06087	1.9
91.03963	25.8
91.05492	5.7
93.07051	29.8
95.04436	1.9
95.05018	2.6
95.08609	47.9
97.02882	14.2
97.06531	7.8
97.10163	28.9
99.04443	2.9
105.07043	5.6
107.08614	23.2
109.10162	27.3
111.08109	5.4
111.11726	8.9
119.08595	2.9
121.10146	45.4
123.11715	10.7
125.09644	2.3
127.03931	9.4
135.11707	36.1
136.06216	16.9
137.13286	3.9
139.11180	3.0
145.04979	10.1
149.13269	16.8
151.14842	3.9
163.06015	16.9
163.14879	5.4
165.16368	4.1
177.16382	3.8
247.24213	39.7
265.25266	90.9
270.34183	2.1
283.26328	16.0
327.04938	1.9
339.28949	100.0
340.29291	1.9
355.25714	2.2
357.29987	47.6
357.34189	4.0
501.33920	5.5
551.16974	2.0
629.66412	2.1
698.44141	8.3
725.02222	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
53.38554	0.8
55.01880	9.9
55.05269	1.3
55.05515	24.0
57.03436	2.3
57.07072	8.3
67.05168	1.3
67.05508	18.8
69.06724	1.7
69.07072	24.9
71.04984	1.0
71.08645	4.2
74.09715	0.9
79.05061	1.5
79.05499	19.5
81.03428	0.9
81.07058	21.8
83.04963	2.1
83.08620	15.9
85.06515	1.5
85.10191	1.5
87.93509	0.8
91.04958	1.4
91.05482	16.5
92.73575	0.8
93.06471	1.0
93.07050	15.9
95.04965	3.1
95.08610	13.0
97.06541	8.2
97.10183	12.0
98.21133	5.0
105.07030	14.5
107.04968	5.9
107.08603	11.6
109.06499	3.9
109.10148	6.8
109.70827	0.9
111.08047	1.9
111.11718	2.6
113.00027	11.2
117.07005	6.3
119.08582	10.4
121.06520	1.5
121.10143	6.5
123.08050	1.1
123.11648	1.2
125.09619	1.1
129.07011	2.3
131.08575	8.6
133.06450	1.2
133.10130	8.0
135.08009	1.4
135.11684	4.2
137.09654	0.9
137.13159	1.3
143.08549	1.3
145.10126	7.4
147.08035	1.4
147.11713	5.6
149.09619	6.3
149.13231	1.5
155.08549	2.0
157.10133	1.5
159.11707	3.7
161.09668	1.3
161.13228	1.9
163.11200	3.3
169.02565	4.4
169.10150	1.4
171.11472	0.9
173.13239	1.2
175.15001	1.0
177.12764	2.2
179.14221	1.3
185.13263	1.2
219.21039	1.1
237.22101	6.3
239.17932	1.5
243.79939	0.9
247.20587	1.7
257.18915	5.3
271.31171	0.9
273.18558	2.7
275.17270	1.9
275.20087	26.0
276.20352	1.0
293.21051	1.6
311.25833	6.6
313.27246	2.3
331.22678	1.6
349.23822	2.5
443.21310	1.1
520.89227	1.2
585.45148	100.0
586.45349	5.6
697.42444	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.197
Annotation	Kaempferol 3-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside
Peak:m/z	Relative Intensity
51.18725	0.2
55.01856	1.0
55.05506	0.6
57.03433	2.9
59.04977	0.3
61.02924	1.6
68.99796	0.3
69.03084	0.4
69.03429	6.3
70.06583	0.8
71.01340	0.8
71.04984	1.1
71.57970	0.4
71.87051	0.3
73.02916	11.5
83.04966	0.4
85.02902	4.0
85.62576	0.2
87.04468	0.6
87.92194	0.3
97.02886	9.0
100.11240	1.0
111.00811	0.6
111.04430	0.5
115.03937	4.6
121.02866	1.5
127.03913	0.5
129.05470	0.5
129.10248	0.3
133.02834	0.5
133.04959	2.3
139.03925	0.5
143.03392	1.2
145.07619	0.7
147.04330	0.3
147.06372	0.3
149.04378	0.3
153.01848	1.9
157.05000	0.6
165.01862	1.2
169.04980	0.4
177.05537	0.3
180.58775	0.3
181.15517	0.3
182.15424	0.5
183.02896	0.6
185.05748	0.4
210.14882	0.8
211.06004	2.4
213.05463	1.0
219.84738	0.3
229.07138	0.6
229.65379	0.3
231.06535	0.6
241.04997	0.7
247.08095	0.3
258.05295	0.9
269.04407	0.3
275.75806	0.3
287.05487	100.0
288.05859	2.3
299.05582	0.8
311.05457	0.5
325.06958	0.6
329.06570	1.6
349.31479	0.3
353.06418	0.8
365.06674	0.4
383.07602	1.6
401.08554	1.1
401.38712	0.3
419.09760	2.9
433.11295	11.3
486.81131	0.3
551.13696	0.4
565.15387	0.7
696.53589	1.0
697.28357	0.5
697.53888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
53.21680	1.2
55.01873	9.5
55.05257	2.0
55.05512	25.8
57.03434	2.9
57.07080	7.9
57.38163	1.0
67.05503	22.6
67.69858	1.0
68.76871	1.0
69.07068	24.4
71.04978	1.3
71.08633	4.7
71.58718	1.5
79.05488	24.6
81.03416	1.4
81.07055	17.4
81.56831	1.0
83.04984	3.4
83.08613	16.4
85.05309	1.0
85.10189	1.3
91.05482	17.3
93.07036	14.5
94.68909	1.2
95.01328	2.0
95.04967	4.1
95.08599	10.8
97.06531	9.5
97.10168	11.7
101.38352	1.1
104.69088	1.0
105.07027	16.9
107.04964	8.2
107.08607	15.1
109.06506	2.3
109.10148	6.8
111.08086	1.8
113.00015	7.6
115.05458	1.1
117.07018	5.3
119.08577	10.2
121.06573	1.2
121.10154	8.2
123.11719	2.0
123.38435	1.0
125.09657	3.8
129.07011	2.8
131.08553	7.1
132.44099	1.1
133.10132	9.5
135.08023	1.7
135.11667	2.7
141.06944	1.5
143.08632	1.5
145.10126	6.6
147.07994	1.2
147.11748	4.9
149.09590	5.6
149.13261	1.8
151.11208	1.3
157.10121	2.4
159.11707	4.6
161.09627	1.4
161.13228	2.3
163.11188	1.9
169.02626	4.8
171.08690	1.1
171.11665	1.3
173.13234	1.4
179.14259	1.3
183.11720	1.7
189.11240	2.2
237.22166	4.3
239.18054	1.2
257.19089	1.7
273.18405	2.5
275.20059	23.0
293.21121	2.5
311.25876	3.4
329.20865	1.7
349.23795	2.1
480.00021	1.2
585.45111	100.0
586.45447	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	696.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01864	1.4
55.05511	14.5
57.03445	7.5
57.07076	8.9
61.02639	1.5
61.02931	22.9
65.03925	2.1
67.05507	64.6
69.03420	4.5
69.07069	23.4
69.75568	5.5
71.05001	2.0
71.08624	7.8
73.02915	9.5
75.93485	1.3
77.17057	1.0
79.05495	20.2
81.03411	1.9
81.07061	81.9
83.04963	1.0
83.08619	21.6
85.02420	1.6
85.02908	24.4
85.06544	2.8
85.10189	2.3
91.03967	21.6
91.05480	14.9
93.07049	22.6
95.04955	1.5
95.08611	69.5
96.16204	1.0
97.02890	11.1
97.06528	6.8
97.10174	13.6
98.20974	2.6
99.04419	1.2
99.08083	3.7
105.07036	10.5
107.08587	14.7
109.06506	1.8
109.09446	2.3
109.10162	33.4
111.08070	4.7
111.11709	3.8
113.09678	1.6
115.03909	1.3
119.08582	13.3
121.10162	25.0
123.11722	19.3
125.09638	2.6
125.13258	1.3
127.03928	9.7
127.11189	1.7
133.10133	14.3
133.70384	1.1
135.11679	11.0
137.09598	2.0
137.13257	9.8
139.11179	2.3
141.12735	3.0
145.04971	11.0
147.11713	12.3
149.13263	12.3
151.11243	1.8
151.14816	6.7
153.12721	1.7
155.14285	3.4
161.13248	14.5
163.06017	17.5
163.14822	14.0
165.16406	11.6
171.13757	1.3
175.14807	10.6
177.16458	2.6
179.17970	7.6
179.28143	1.0
189.16379	5.5
193.15857	1.8
207.17400	1.5
217.19571	2.5
245.22665	61.9
245.25232	3.0
246.22995	1.3
263.23712	100.0
264.24207	2.8
265.25214	2.5
267.15976	1.6
278.43085	1.3
281.24814	3.1
337.27368	73.6
338.27527	1.5
355.28366	13.6
463.30765	1.4
499.32605	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	694.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05486	0.3
55.81788	0.2
57.03424	0.5
61.02898	0.7
67.05482	0.4
69.03405	0.3
70.06595	1.4
71.04987	0.4
72.08125	0.6
73.02921	4.9
73.11491	0.2
75.64319	0.2
79.05476	0.2
81.03387	0.3
81.07051	0.2
81.86863	0.2
83.04984	0.2
84.04490	0.5
84.08120	0.7
85.02876	0.9
86.09686	1.0
87.04427	0.2
89.05996	0.4
91.05479	0.3
93.07040	0.2
95.08544	0.3
97.02880	0.4
98.05998	0.2
100.11226	0.5
105.03334	0.3
105.07036	0.3
107.01314	0.5
107.04923	0.2
110.07097	0.2
115.03916	0.3
119.08566	0.3
120.08095	0.5
121.02872	4.5
123.00771	0.2
129.10237	0.4
130.06541	1.5
133.06435	0.2
135.04427	0.2
145.06422	0.4
147.04408	0.3
157.06516	0.3
165.01822	0.8
169.06499	0.5
173.05978	1.7
183.02881	0.6
183.04349	0.2
193.05025	0.2
197.06026	0.4
197.22195	0.2
201.05405	0.7
225.05537	0.2
229.04977	4.2
243.06560	0.6
253.04942	0.5
257.04532	0.4
262.10861	0.2
270.13385	0.3
299.05505	100.0
300.05914	2.8
311.05539	0.3
343.16568	0.5
344.16748	0.6
416.11292	37.3
417.11649	1.4
428.11365	0.5
562.17175	1.2
658.85382	0.2
693.49048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.05508	11.4
57.03430	3.4
57.07064	3.4
57.51104	2.4
63.41889	2.4
67.05173	3.5
67.05508	49.0
69.03415	6.4
69.07063	12.8
70.06569	8.8
71.24654	5.4
72.08116	3.2
79.05492	28.0
81.03426	12.4
81.07060	69.0
83.04971	3.2
83.08606	9.5
84.04485	3.7
84.08126	2.9
85.02909	13.0
86.09708	4.3
91.05484	20.3
93.07053	35.6
95.04960	5.3
95.08611	75.0
97.02880	5.9
97.06505	3.1
97.10157	7.1
98.21155	2.8
99.04456	3.0
99.08078	4.9
105.01859	4.5
105.07032	24.5
105.19128	2.2
107.08605	25.6
109.02829	3.9
109.06500	4.0
109.10159	28.9
113.09623	6.8
117.07039	5.3
119.08591	13.8
119.66026	2.1
121.10161	26.9
123.08010	2.6
123.11707	8.3
125.09632	2.7
127.03909	5.5
130.06511	3.7
131.08591	11.7
133.10114	17.2
135.11690	28.3
137.13232	6.5
145.10123	16.4
147.11702	11.8
149.13287	17.4
151.14877	2.6
159.11702	10.0
161.09650	7.2
161.13246	8.3
163.14832	5.2
165.12791	4.7
169.12227	3.2
173.13182	6.0
179.14380	3.0
187.14798	2.3
189.09105	2.6
223.16893	3.0
243.21117	23.1
261.22141	100.0
267.16068	2.5
279.23178	39.1
351.14374	3.8
395.24213	27.7
413.25439	17.1
449.25400	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	696.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.7
54.60096	0.9
55.05262	1.1
55.05513	16.0
57.03429	4.2
57.07084	7.4
60.16173	1.0
61.02929	27.3
65.03928	2.0
67.05506	64.0
67.51888	0.9
69.03420	3.5
69.07071	22.5
69.76022	6.9
71.04984	1.7
71.08628	4.1
73.02596	1.0
73.02927	10.3
75.04475	1.7
76.04196	0.9
79.05496	17.9
81.03416	1.6
81.07059	79.3
83.04979	2.2
83.08621	17.7
84.35817	1.0
85.02909	29.7
85.06542	2.9
85.07040	1.1
85.10187	2.0
91.03957	26.1
91.05477	15.7
93.07043	21.4
95.04971	2.1
95.08611	68.8
96.08986	1.1
97.02898	14.4
97.06548	6.3
97.10172	11.2
98.21434	1.3
99.04475	1.6
99.08118	3.1
99.72073	1.3
105.07039	9.1
107.08590	19.1
109.02855	1.0
109.06512	1.2
109.10156	32.4
111.08098	4.3
111.11738	2.9
113.09621	1.8
115.03913	1.5
119.08587	12.2
121.10146	20.9
123.08070	1.4
123.11714	19.2
125.13282	1.1
127.03930	9.3
127.11160	1.7
133.10141	12.2
135.11691	11.2
137.09695	1.5
137.13255	7.9
139.11122	1.8
141.12785	2.1
145.04948	11.9
147.11694	13.3
149.13255	11.5
151.11151	2.9
151.14854	5.3
155.14316	2.1
161.13249	13.1
163.06024	22.0
163.14825	11.2
164.79980	1.0
165.16382	8.0
167.14323	1.8
175.14836	10.9
176.80353	1.1
177.16493	2.1
179.14330	1.2
179.17961	7.4
189.16422	4.9
203.18030	2.2
217.19521	1.9
221.22820	1.3
245.22658	64.2
246.23015	2.0
263.23715	100.0
264.24084	2.2
265.25296	2.9
281.24692	2.9
286.56870	1.1
298.32199	1.0
336.03470	1.1
337.27377	42.2
355.28482	7.6
499.32715	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01863	2.7
55.05500	2.6
56.05024	2.5
57.03429	1.7
60.04527	33.1
61.02914	1.5
65.03923	1.5
65.99423	0.9
67.05502	13.6
69.03419	6.2
69.07066	6.0
70.06590	1.7
71.04996	1.5
71.57825	1.2
72.04510	1.7
75.25219	0.9
79.05490	5.8
80.05024	1.0
81.03417	6.5
81.07066	13.3
82.06591	7.8
83.04977	1.9
83.08604	3.8
84.04490	2.1
85.02905	9.9
85.69263	0.9
86.06056	1.2
86.09719	1.7
87.00823	3.0
91.05491	5.9
93.07053	9.1
94.06567	8.3
95.04979	12.4
95.08598	12.4
96.08144	1.6
97.02902	2.4
97.06528	1.2
97.10155	1.2
98.09660	2.3
99.04453	2.2
99.08100	0.9
103.05453	3.0
105.01843	1.0
105.07037	3.3
107.08602	1.7
108.08107	3.2
108.59426	1.1
109.02872	4.6
109.06512	2.2
109.10150	4.3
110.06015	1.6
110.09698	7.3
112.07604	1.8
119.08601	1.9
120.08108	6.3
121.06509	6.5
121.10130	2.1
123.11708	2.2
126.09159	7.4
127.03930	4.8
130.06569	4.9
131.08540	1.5
133.10115	1.2
137.09584	1.2
138.09137	32.1
138.10210	1.6
139.07552	5.7
144.10152	1.3
156.10191	19.9
156.26865	1.0
159.02858	1.2
165.12854	1.8
174.11232	6.6
207.21017	1.3
209.15451	1.6
216.57085	1.1
225.22171	1.5
231.04939	1.0
253.55054	1.0
254.38104	0.9
265.40988	0.9
266.24576	1.2
312.25269	2.6
378.68985	1.2
390.29947	3.8
408.31027	15.4
426.26324	1.9
426.32111	30.9
427.32254	1.5
444.33173	100.0
445.33643	2.8
469.79245	1.0
648.39404	2.5
674.36938	1.6
692.38501	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	689.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	20.0
57.03429	3.1
57.07067	7.0
58.04076	3.1
67.05508	42.8
69.07067	19.7
69.28648	4.7
69.29042	28.2
71.08623	9.1
71.47073	2.9
79.05479	13.2
81.07060	45.6
83.08610	7.4
85.12904	2.5
91.05485	11.2
93.07040	24.2
95.04984	6.7
95.08613	27.8
97.06519	6.0
97.10179	3.7
98.21114	16.2
99.08100	8.5
105.07069	15.5
107.08596	14.5
109.06522	23.2
109.10153	13.2
119.08602	14.7
121.06560	15.9
121.10139	9.2
125.09583	3.7
131.08549	3.9
133.10117	8.0
135.08061	7.4
135.11703	5.8
145.10153	8.3
147.11728	6.4
161.13304	6.1
163.11234	8.0
165.12773	43.9
177.12772	9.1
179.14235	2.8
209.18918	4.2
213.96719	3.6
215.72437	2.9
220.41437	2.8
289.25345	21.7
317.24756	100.0
319.26285	8.6
335.25848	38.0
337.27402	36.2
391.28329	15.7
409.29514	7.6
653.51190	8.7
671.52081	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	691.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05510	2.4
56.05039	4.0
57.03436	0.5
57.07085	0.5
65.03925	0.4
67.05509	8.1
69.03423	1.3
69.07075	1.9
70.06590	1.4
71.04976	0.8
71.57699	0.6
75.75779	0.4
79.05492	4.9
81.03418	1.2
81.07056	12.1
83.06107	24.7
83.08620	1.4
84.04503	70.5
84.08136	1.1
85.02899	3.0
85.04839	0.5
85.06554	0.5
86.06044	0.7
86.09698	0.8
87.00835	0.8
91.05475	3.3
93.07042	6.8
95.04935	0.7
95.08607	10.6
97.06547	1.0
97.10160	0.7
99.04485	0.7
99.08128	0.4
100.11255	0.8
101.07145	10.8
102.05540	7.9
105.07039	3.0
107.08604	4.6
109.02878	0.9
109.10172	4.2
111.08095	0.5
113.09732	0.4
117.07018	0.8
119.08595	2.4
120.08099	0.7
121.10149	3.8
123.11678	1.3
124.85826	0.4
127.03922	1.1
129.06604	46.9
130.05003	100.0
131.05385	0.7
131.08572	2.6
133.10158	1.9
135.11690	4.6
137.13261	0.5
145.10123	2.3
147.07643	35.9
147.11632	1.9
148.06050	1.3
149.13246	2.8
151.11237	0.4
159.11630	1.9
161.13234	0.9
163.14828	1.1
171.07773	0.4
173.13329	0.9
175.14822	0.4
177.16298	0.4
179.14268	0.5
187.14786	0.7
191.14156	0.4
201.16379	0.6
205.52731	0.4
206.42465	0.4
231.63312	0.4
243.21008	2.7
261.22134	10.2
278.24762	0.7
279.23166	1.7
300.05972	0.4
313.21277	0.4
325.11179	0.5
327.23004	1.1
344.25681	1.1
361.28326	0.5
362.26898	1.1
372.25089	1.4
389.28055	3.4
390.26437	7.8
391.26379	0.4
407.29031	40.8
408.27469	3.6
425.30106	34.9
426.30240	1.3
443.31165	5.4
690.99689	0.5
712.37585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06067	1.1
53.03946	3.3
55.01860	2.7
55.05519	13.9
57.03429	5.0
57.07081	6.9
65.03945	1.1
67.05508	28.7
69.03427	3.8
69.05294	1.0
69.07066	19.5
70.18320	4.2
71.04971	2.0
71.08629	12.8
79.05495	20.5
80.55675	1.3
81.07057	37.5
83.04949	1.7
83.08624	7.8
85.06532	3.1
91.05476	13.7
93.07042	29.1
95.04964	10.6
95.08616	26.3
96.86795	1.3
97.06522	3.0
97.10177	2.1
98.21189	2.6
99.08090	6.8
105.07034	17.5
107.08598	19.2
109.06522	29.3
109.10142	10.4
111.08051	1.9
117.07026	3.0
119.08582	12.9
121.06516	14.3
121.10146	11.1
123.08066	3.0
123.11703	4.5
131.07704	1.2
131.08583	7.7
133.10136	9.5
135.08066	5.9
135.11688	9.4
136.53679	1.1
137.13228	1.7
143.08604	1.2
145.10133	7.1
147.11691	7.2
149.09605	2.6
149.13272	4.1
154.02461	1.4
159.11743	6.1
161.13248	5.1
163.11153	6.9
163.14789	1.3
165.11371	2.5
165.12758	44.7
167.14352	1.4
173.13242	2.5
175.14740	3.0
177.12796	7.1
177.16335	1.2
179.14320	1.5
179.24759	1.1
183.74290	1.1
187.14713	1.8
191.14378	5.5
201.16335	1.5
205.15874	1.5
209.18971	5.1
219.17470	2.9
259.20697	2.9
261.22214	1.9
275.20142	1.5
279.19522	2.4
279.35693	1.1
289.25244	21.7
299.23798	1.8
307.26303	1.9
313.46957	1.1
317.24765	100.0
318.25180	3.0
319.26309	11.3
333.24078	3.3
335.25803	88.8
336.25980	2.5
373.27124	1.9
375.28809	1.8
391.28479	10.5
393.29846	2.4
396.48129	1.2
409.29547	10.1
538.95966	1.3
543.00348	1.4
550.94562	1.1
575.49567	1.4
651.49762	8.5
669.50897	17.8
670.51416	1.5
714.05396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	1.1
70.05998	3.4
73.31750	0.6
79.05520	0.9
81.03391	0.7
93.07040	1.0
98.20752	0.8
98.21295	1.4
120.64292	0.6
122.96040	0.6
144.08138	1.0
152.05687	10.4
153.04118	1.4
153.06078	1.5
171.09242	1.1
177.17844	0.8
183.09232	0.8
187.08682	0.7
196.09964	0.7
197.10751	1.0
199.08698	1.4
208.09914	1.4
209.10725	5.6
210.11650	1.8
211.08691	1.1
211.12352	2.2
213.06560	0.7
213.10263	1.0
221.10759	1.9
222.11574	2.8
223.08746	1.6
223.12244	5.5
224.13167	4.4
225.13893	3.1
226.14589	0.7
227.08066	1.0
232.09955	1.0
235.12422	1.7
236.13181	1.0
237.10280	1.8
237.13873	12.4
237.16158	0.9
238.11081	0.7
238.14626	7.1
239.08328	1.3
239.15427	4.2
241.09894	2.2
247.12462	0.8
251.08199	1.3
251.11751	1.4
252.12480	0.9
253.13507	1.3
255.07674	1.5
255.11444	1.6
265.13361	6.9
266.14124	3.9
267.15060	3.7
269.09515	1.0
272.12198	0.8
273.12463	2.7
281.13312	0.7
297.12482	2.2
300.15024	1.3
301.12268	1.0
301.15594	0.9
309.12552	1.2
309.16058	1.3
312.14920	0.7
314.16437	1.1
315.13464	2.9
315.17096	0.7
325.15421	8.8
326.16339	1.4
327.17157	2.8
328.14572	1.3
328.18201	1.1
335.14279	0.8
336.14377	1.2
340.14478	0.8
341.11646	0.8
372.17197	1.4
386.19162	1.1
388.20435	1.2
392.17316	1.0
393.16876	0.9
394.18130	0.8
395.18643	1.3
400.16473	1.4
401.21417	1.1
402.22147	1.1
403.22699	0.9
404.23499	2.1
408.19904	0.9
409.20331	1.5
414.17984	1.7
415.19061	0.8
419.18814	1.8
430.21167	0.7
432.19461	1.4
433.20261	1.6
437.20248	0.7
460.17795	0.7
465.20825	0.9
466.19904	1.1
469.22479	0.9
473.16949	0.8
481.22336	1.2
482.23218	2.0
490.23035	1.5
491.25000	3.2
497.25473	2.3
498.26926	1.0
506.23325	1.4
507.24637	3.5
509.22324	1.2
511.23337	1.1
521.25159	2.1
524.24316	1.8
525.24963	6.2
538.13763	1.1
539.26593	1.1
540.27429	1.4
549.24951	3.5
552.24622	0.8
553.24628	2.5
567.26025	2.6
568.26587	1.9
579.25586	0.8
595.25568	3.0
609.27155	12.8
611.15997	1.0
611.29126	1.0
613.26581	1.2
627.18408	1.6
627.28119	30.4
628.18237	1.3
628.28223	1.6
637.26642	5.2
643.18274	1.4
655.27643	100.0
656.18127	1.4
656.27856	6.4
670.19635	8.3
687.29181	3.5
687.41315	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	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06188	1.2
52.46441	1.2
53.03938	2.6
55.05512	12.4
55.08438	1.2
57.03441	11.6
57.07071	3.5
59.04997	4.6
61.02915	3.5
64.35835	1.2
65.03942	2.0
67.05505	100.0
69.03422	2.5
69.07069	9.6
70.99214	3.1
71.04999	2.8
71.08633	1.6
73.02906	1.8
79.05494	20.6
81.03420	2.1
81.07056	36.8
83.04988	1.7
83.08633	7.8
83.46252	1.4
84.04500	5.4
85.02892	5.6
85.06551	2.9
91.03928	1.6
91.05456	12.0
93.07046	25.1
95.04987	2.6
95.08607	26.8
97.02837	1.9
97.10174	3.1
105.07046	8.6
107.08598	14.7
109.10158	81.5
111.08076	3.0
117.07034	3.7
119.08591	10.1
121.10164	11.7
123.08031	1.3
123.11694	2.4
127.04000	1.3
127.39256	1.5
129.00716	1.5
130.04996	7.1
131.08559	5.9
133.10136	6.3
135.11694	6.5
137.09561	2.5
145.10104	3.8
147.07619	5.4
147.11713	3.2
149.13248	3.8
155.10674	2.8
159.11662	1.6
161.13243	2.6
163.14836	2.9
173.11765	21.6
173.13222	3.6
175.14841	1.6
185.47221	1.3
187.14807	1.9
227.12802	4.4
229.14359	91.9
243.21114	3.7
261.22168	17.6
262.09268	1.7
313.27206	1.7
317.24704	3.0
335.25800	72.8
395.16818	1.4
480.73538	1.5
489.28802	2.3
489.35727	34.7
507.36621	2.6
686.49115	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	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.3
57.03440	8.6
57.07066	2.2
59.04977	4.3
61.02926	2.7
65.03933	3.5
66.16611	1.5
67.05507	97.0
69.03412	4.6
69.07063	8.9
71.04992	3.2
71.32809	2.4
71.33134	1.8
79.05076	1.4
79.05495	20.2
81.03404	5.4
81.07054	31.4
83.04980	2.4
83.08627	10.4
85.02898	5.9
85.06536	3.9
91.05461	15.3
93.07053	24.1
95.04967	2.4
95.08611	26.4
97.02886	4.2
97.06546	1.8
97.10165	1.7
99.39304	1.5
105.07048	10.0
107.08588	15.3
109.10160	81.6
111.08068	3.7
117.06999	3.3
119.08591	11.7
121.10141	8.7
123.11713	4.5
127.03915	5.8
129.07063	1.4
131.08580	5.5
133.10120	4.6
135.11746	7.1
137.09581	3.6
143.08603	1.6
145.10098	5.4
147.11653	5.0
149.13239	4.2
155.10649	8.7
159.11697	4.7
161.13272	3.7
163.14812	3.5
173.11757	34.5
173.13191	4.4
187.14908	2.5
190.08717	2.1
229.14357	100.0
230.14661	2.0
243.21091	5.2
248.29810	1.6
261.22141	16.9
287.05505	3.0
299.14917	9.0
317.15964	2.9
317.24808	2.3
335.25778	45.6
348.21582	2.6
387.25284	2.5
489.35840	32.5
490.35666	1.9
521.95490	1.7
686.49701	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	683.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.9
57.07069	7.3
67.05495	10.3
69.07055	5.9
79.05488	7.3
81.07054	7.2
83.08620	4.9
91.05459	4.3
93.07037	7.1
94.77959	3.5
95.08620	7.2
98.20600	5.6
105.07021	5.9
119.08603	7.2
121.10145	4.0
131.08600	4.5
162.31018	3.6
198.06505	3.8
341.58356	4.6
585.44159	5.9
683.24146	4.8
683.43024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.1
55.05511	28.9
57.03429	17.7
57.07073	7.9
61.94523	4.8
67.05504	100.0
69.03437	6.9
69.07068	21.9
71.04980	6.9
71.58479	5.7
79.05495	38.7
81.03421	20.9
81.07061	66.1
83.08617	20.0
84.04507	21.8
91.05449	48.3
93.07055	82.0
95.04961	9.0
95.08614	73.1
96.04498	11.7
97.06535	7.4
97.10163	10.6
101.16129	5.0
105.07047	30.3
107.08603	22.1
109.06505	6.3
109.10149	33.1
111.08120	4.8
117.07001	16.0
119.08601	31.8
121.10144	27.6
123.11723	5.2
130.04990	23.5
131.08569	20.1
133.10176	18.7
135.11719	19.0
136.06238	7.8
137.09613	55.8
139.31375	4.8
145.10115	14.3
147.07664	24.1
147.11708	15.9
148.06097	14.6
149.09544	10.2
149.13359	10.1
155.08592	6.6
157.10179	14.7
159.11719	12.9
161.13263	11.9
162.32878	5.3
165.12778	6.1
171.11711	8.5
173.13274	8.4
185.13283	11.8
193.12215	7.5
199.14713	7.1
211.13345	28.2
229.14307	9.4
250.04956	5.0
250.14444	11.9
267.15912	32.6
311.25885	23.4
317.24725	6.3
335.25803	58.1
343.69150	5.9
372.61493	7.3
379.30008	9.5
397.31000	25.4
405.29791	8.2
415.32080	5.8
471.34851	34.0
489.35980	50.0
503.36746	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	47.1
60.05634	14.8
60.62013	8.5
67.05499	30.8
69.07050	10.3
71.58938	15.8
73.99244	9.0
81.07058	22.5
83.08607	15.3
89.36853	9.8
91.05464	16.9
93.07070	17.0
95.62047	9.6
105.07080	11.8
109.10149	16.2
113.00008	11.3
119.08646	11.3
142.16695	8.8
147.11697	13.9
153.07149	9.2
187.26657	10.4
200.96924	10.8
231.45288	9.9
244.71645	11.1
273.55981	10.4
327.07816	80.4
383.13934	55.4
439.20142	82.7
495.26758	53.3
551.32849	65.2
568.44232	20.7
607.39124	100.0
663.45410	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.6
55.05503	2.2
57.03421	1.1
65.03934	0.4
67.05169	0.5
67.05505	7.2
69.07068	2.1
69.30043	3.6
77.42691	0.4
79.05489	4.2
81.07056	6.1
83.08618	0.9
91.05477	1.6
93.07042	5.2
94.04040	0.5
95.04945	0.6
95.08614	3.7
96.71960	0.4
98.20801	1.0
98.21448	0.8
105.07021	1.5
107.08602	2.6
109.10148	1.5
110.01118	0.5
117.07041	0.9
119.03555	1.3
119.08564	1.0
121.10131	1.8
131.08571	1.0
133.10115	0.6
135.11719	0.8
136.06186	100.0
137.04594	1.9
141.65065	0.4
145.10168	0.5
149.13239	0.9
174.07793	0.8
269.17487	0.6
330.19193	10.3
335.25867	6.1
348.20831	0.8
404.22910	2.8
422.24026	4.2
664.44373	1.7
682.45416	43.4
683.46063	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	679.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.9
59.94864	1.7
67.05504	4.6
69.07083	2.1
71.58960	2.2
79.05504	3.6
80.31435	1.5
81.03374	1.6
81.07055	2.9
83.08603	2.1
89.06007	1.8
91.05505	4.2
93.07074	3.3
95.08665	1.6
105.07030	2.5
112.31584	1.7
118.59025	1.6
119.08591	3.5
131.08534	2.2
133.08586	2.9
145.10156	1.8
177.27827	1.9
185.58658	1.6
276.38855	1.8
323.83826	1.8
324.72083	1.6
405.87265	1.9
679.34497	100.0
680.34869	4.9
695.32214	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.3
55.01868	5.7
55.05512	30.1
57.03444	18.9
57.07073	4.6
64.84682	2.2
65.03932	5.6
66.43701	2.4
67.05508	100.0
67.48308	2.1
68.05825	2.1
69.03416	3.9
69.06713	4.1
69.07068	62.9
69.57813	10.0
69.58237	8.5
71.04990	22.4
73.02923	3.4
73.64580	2.3
79.05495	95.4
81.03425	17.0
81.07059	98.6
83.04978	11.7
83.08624	17.4
85.06560	5.3
91.05480	57.9
93.07047	84.7
95.04978	23.0
95.08607	65.0
97.05906	5.0
97.06532	99.4
97.10168	5.3
98.20853	4.3
98.21510	4.1
99.08118	7.7
99.53889	2.3
103.05470	4.5
105.04501	2.8
105.07032	42.8
107.04943	13.4
107.08601	44.1
109.06528	19.1
109.10164	21.3
111.04466	2.8
111.08091	3.2
115.05458	4.0
115.07568	35.4
117.07033	22.4
119.08576	32.8
121.06513	6.8
121.10140	29.0
123.08057	7.6
123.11721	4.4
125.09593	5.1
128.06335	2.6
129.06981	7.9
131.08566	29.7
133.06509	3.8
133.10121	27.5
135.08037	10.8
135.11684	17.4
136.06172	2.9
137.09573	3.4
141.06982	4.0
142.07762	3.3
143.08514	4.5
145.10155	17.6
147.08073	5.5
147.11693	11.8
149.09624	5.9
149.13271	12.4
157.10133	8.9
159.11710	16.3
161.09630	7.4
161.13266	9.4
163.11189	3.5
163.14793	3.3
167.08659	2.3
169.10168	3.7
171.11662	5.9
173.13235	6.6
175.11217	5.0
177.12753	5.3
183.11697	4.4
184.07356	3.0
185.13292	7.4
187.11263	3.4
187.14934	3.1
189.12700	2.9
189.16400	2.6
193.12315	4.8
195.11615	2.4
199.14799	4.5
201.16344	3.2
217.15923	7.3
221.15344	3.0
233.15392	3.6
243.20920	3.2
245.18910	4.7
261.22211	8.7
267.15967	8.7
269.17545	9.8
273.18549	20.7
281.17545	4.2
291.19556	10.2
297.16739	2.6
335.21967	4.4
335.25797	64.6
335.29880	3.3
347.22305	5.6
363.25372	3.2
365.23196	7.6
398.05161	2.3
483.52765	2.4
529.31549	2.8
529.38953	38.7
533.83710	2.6
545.37964	3.1
625.44537	8.0
643.45465	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	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30699	1.4
53.03942	3.4
55.05507	12.1
57.03426	4.4
57.07063	4.1
57.25793	1.3
61.02928	25.5
61.12183	1.3
63.10949	1.3
65.03943	2.4
67.05505	69.7
69.03424	4.0
69.07068	12.9
70.63916	2.9
70.64268	1.7
71.04987	4.4
71.08598	1.3
73.02902	8.7
79.05494	44.8
81.03407	4.3
81.07056	68.1
83.04977	1.5
83.08643	8.1
85.02907	25.2
85.06525	3.6
91.03951	22.4
91.04955	2.1
91.05482	26.7
93.06466	3.0
93.07047	54.9
95.04954	4.1
95.08609	59.1
97.02901	10.8
97.06517	2.2
97.10186	3.0
98.21215	1.6
99.04436	2.7
99.08105	3.6
105.07035	16.2
107.08599	37.8
109.06522	2.3
109.09451	2.2
109.10161	31.6
111.08073	2.0
111.88216	1.3
117.07033	8.4
119.08578	15.5
121.10143	31.9
123.11708	15.3
127.03929	9.1
131.08559	19.5
133.10129	14.5
135.11697	26.6
136.11958	1.9
137.09607	2.6
137.13214	6.9
139.11229	2.0
145.04942	12.1
145.10132	16.1
147.11679	13.0
149.13260	23.5
151.11195	1.7
159.11688	14.5
161.13235	12.6
163.06017	14.6
163.14813	14.7
165.12785	2.9
173.13242	14.6
175.14789	3.5
177.12854	1.9
177.16388	5.3
179.14330	2.1
185.13229	1.6
187.14842	10.1
191.14392	1.6
195.13828	1.7
201.16376	3.9
215.17932	2.2
219.17328	1.8
233.22633	1.7
243.21104	35.6
261.22150	100.0
262.22446	4.3
263.23868	1.8
277.21848	1.6
279.23193	2.5
305.59744	1.4
335.25787	20.4
353.26904	30.6
441.38083	1.5
445.18640	4.5
471.16611	2.5
497.31384	2.0
541.20490	3.5
573.23041	1.7
617.22552	16.0
618.22894	3.0
645.22351	9.7
645.31396	2.3
677.36829	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.05511	14.6
56.36579	1.7
57.03447	10.0
57.07066	4.7
61.02933	17.2
64.52434	1.8
65.03952	4.8
67.05506	88.8
68.14557	1.9
69.03440	3.6
69.07079	16.8
71.04996	4.8
73.02907	8.1
75.83556	1.8
79.05499	49.2
81.03411	3.4
81.07060	100.0
83.05009	2.2
83.08617	8.4
85.02906	24.4
85.06562	2.5
91.03951	16.5
91.05483	26.5
91.09318	2.1
93.06465	3.9
93.07052	61.7
95.04951	4.1
95.08611	80.4
97.02903	10.5
97.06528	5.5
97.10181	3.1
98.20899	9.5
99.08095	3.1
105.07040	24.9
107.08598	42.2
109.06528	3.2
109.10162	42.6
111.08075	4.3
117.07035	10.8
119.08591	21.6
121.10149	43.6
123.08116	2.5
123.11710	19.8
127.03946	8.8
131.08560	24.3
133.10141	18.0
135.11702	35.3
137.09627	2.8
137.13260	7.9
145.04961	8.1
145.10120	18.2
147.11670	14.9
149.09576	2.2
149.13269	26.6
149.67923	1.9
151.14809	2.9
154.15089	2.1
159.11700	17.2
161.13229	13.8
163.06029	8.5
163.14853	18.1
165.12747	2.9
171.11681	1.8
173.13297	18.0
175.14865	4.8
177.12949	1.9
177.16394	8.1
179.14307	3.7
187.14859	12.1
201.16307	4.5
219.17336	2.8
233.22726	3.0
243.21103	35.5
261.22147	95.8
262.22562	3.1
279.23215	2.5
299.15817	1.9
316.52399	1.8
335.25763	31.3
353.26855	34.4
475.54626	2.9
497.31073	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	676.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.05501	1.2
57.03428	1.0
57.07075	3.3
64.80485	0.3
67.05507	2.9
69.07058	1.0
70.26189	0.2
71.08621	1.7
72.19517	0.2
79.05503	1.8
81.03418	6.8
81.07065	2.6
83.04971	0.7
83.08614	2.1
85.10181	0.7
91.05491	2.0
93.07042	1.2
95.04964	2.4
95.08609	2.6
97.06499	0.4
97.10195	0.4
100.71217	0.3
105.07038	1.2
107.04952	0.6
107.08592	0.9
109.10153	0.8
111.08080	0.6
115.05434	0.3
119.03593	0.6
119.08588	1.1
121.10166	0.6
123.11711	0.3
129.07028	0.7
131.08583	0.8
133.10138	0.6
136.06187	100.0
137.04576	1.3
137.06577	0.4
137.09589	0.3
145.10199	0.3
147.11620	0.6
149.09618	0.4
157.10136	0.5
159.11696	0.4
193.12271	1.1
229.13428	0.3
267.15945	3.3
289.17892	0.4
313.27335	3.2
328.17764	0.3
335.25803	0.5
505.38858	1.2
550.56763	0.3
658.45416	2.2
676.46301	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	676.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
57.03426	1.0
57.07078	3.5
67.05495	2.9
69.07063	1.7
71.08627	2.2
71.30520	0.5
71.59356	0.5
78.11390	0.5
79.05492	2.4
81.03422	6.5
81.07056	2.9
83.04932	0.8
83.08624	2.5
85.10191	1.4
91.05484	2.0
93.07030	1.9
95.04969	1.8
95.08605	2.6
97.10183	0.7
97.87576	0.5
105.07047	2.0
106.40268	0.4
107.04935	0.6
107.08601	0.8
109.06490	0.6
109.10163	1.2
111.08059	0.7
112.96194	0.5
119.03533	0.9
119.08582	1.5
121.10118	0.7
129.07027	0.8
131.08633	0.8
133.10143	0.6
136.06194	100.0
137.04614	1.1
147.11711	0.8
149.09505	0.7
157.10144	1.0
175.11200	0.9
193.12325	1.8
267.15958	3.2
291.19373	0.7
313.27411	4.5
330.48660	0.5
346.18805	1.5
420.22449	0.8
504.38770	0.7
505.39063	0.9
527.68915	0.5
540.19580	0.5
566.07025	0.5
600.88983	0.7
629.25067	0.8
658.45630	4.9
667.59894	0.6
676.46466	14.0
677.46631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.37
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81918	0.8
51.54210	0.9
51.85955	0.6
55.05516	2.5
56.05031	3.1
57.07074	1.6
67.05510	10.0
67.05836	1.4
69.03429	1.0
69.07066	3.4
71.58528	1.0
75.78847	0.8
79.05495	2.8
81.03423	1.3
81.06634	1.5
81.07064	11.3
83.06109	24.2
83.08620	3.0
84.04508	72.0
85.02910	2.4
91.05487	2.8
93.07044	3.2
95.04945	0.8
95.08611	10.5
96.91662	0.8
97.02856	0.8
97.06559	1.1
98.21005	0.9
101.07149	11.4
102.05534	6.4
102.14423	0.8
105.07037	2.9
107.08599	2.5
109.10159	4.5
119.08608	2.2
121.10099	1.5
123.11688	2.4
127.03972	1.3
129.06609	44.0
130.05009	100.0
133.10153	2.5
135.11688	1.3
147.07651	30.7
147.11746	1.3
148.06020	1.0
149.13266	1.6
157.10217	0.8
161.13243	1.5
191.34204	0.7
235.16667	0.8
245.22636	3.2
261.40567	0.8
263.23657	8.4
263.25784	0.8
280.26294	1.9
391.29633	4.5
392.27975	9.4
404.05466	1.0
409.30630	67.5
410.30673	2.4
427.31708	2.8
660.20233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44339	0.3
69.44954	2.7
80.02494	0.4
98.21555	0.6
115.33734	0.4
267.78711	0.3
329.71774	0.4
405.83676	0.4
426.13144	0.4
427.16632	0.4
442.45599	0.4
445.18817	0.4
453.15918	0.6
454.16794	1.2
455.13409	0.7
457.19476	0.4
467.12881	0.6
467.18039	0.7
468.13864	2.1
469.14682	6.9
470.15634	1.9
471.16885	0.4
472.17758	0.4
481.14627	2.2
482.15887	10.4
483.16656	9.8
484.17682	1.7
485.18378	0.6
495.16577	2.2
496.17493	5.9
497.18237	40.7
498.18839	5.1
499.20325	0.8
501.17004	0.4
509.18707	0.4
510.19363	2.0
511.19922	5.0
512.20428	1.2
515.19342	1.5
524.17096	0.5
528.16351	2.1
538.20734	1.0
539.21564	0.5
541.17444	1.2
542.18170	2.7
555.18695	2.3
556.19409	3.8
557.20428	3.1
569.20239	0.9
571.21765	0.5
616.21606	1.2
617.22522	0.5
629.22290	0.7
643.23938	6.0
644.24585	7.2
645.24347	1.6
657.25500	6.7
658.25500	0.6
660.24213	0.6
675.26611	100.0
676.26794	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	674.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94258	1.4
53.03577	1.7
53.03938	3.9
55.01867	3.8
55.05510	9.1
57.03430	11.9
57.07057	1.3
61.02917	3.2
65.03939	1.9
67.05183	2.5
67.05512	38.4
69.07073	81.2
71.58907	2.6
73.02902	2.0
73.06568	7.7
74.57399	1.4
75.46921	1.4
79.05064	2.5
79.05501	41.9
81.03420	5.9
81.07066	35.7
81.57667	1.3
83.08607	5.3
85.02888	2.9
85.06521	2.0
88.67252	1.5
91.05479	11.2
93.07049	27.7
95.04958	4.2
95.08613	25.2
97.06545	26.4
97.10186	1.8
99.08087	1.8
105.07053	9.3
107.08601	14.1
109.10151	10.7
115.07558	6.7
117.07018	3.6
119.08597	7.8
121.10152	13.1
123.11693	5.3
125.06017	9.5
131.08580	8.2
133.10139	8.4
135.11684	9.8
136.06206	4.7
137.09644	1.8
143.07042	81.4
145.10121	4.5
147.11687	4.5
149.13275	6.4
159.11693	4.9
161.08113	22.3
161.13245	3.2
163.14816	2.3
171.20319	1.6
173.13339	4.9
177.16353	2.2
179.14224	1.5
187.14876	2.2
199.09677	34.9
199.11496	2.2
201.93779	1.4
217.10735	100.0
243.21144	7.3
261.22153	26.2
292.76846	1.7
317.24731	3.3
322.32071	1.8
335.25833	81.0
336.26324	1.5
353.26883	5.6
361.23911	2.4
385.27133	1.6
441.29843	2.1
459.31113	9.1
477.26062	2.7
477.32178	37.0
495.33038	3.3
616.55658	1.7
630.42773	2.1
631.01501	1.6
674.44385	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	673.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05519	2.2
56.05039	3.5
57.03436	0.6
57.07063	0.5
66.36590	0.4
66.56439	0.4
67.05506	8.5
69.03429	0.7
69.07067	1.8
70.06599	0.7
71.08601	0.4
71.30944	0.5
71.31277	0.7
79.05492	8.0
81.03427	1.3
81.07062	9.3
83.06104	28.1
83.08623	1.0
84.04504	77.9
84.08162	0.8
85.02896	2.2
85.04858	0.4
85.06551	0.6
91.05491	3.9
93.07044	9.4
95.04977	0.9
95.08615	7.5
97.02900	0.6
97.06512	0.5
97.10197	0.7
99.08100	0.7
101.07142	12.1
102.05544	5.7
105.07026	3.2
107.08596	6.0
109.02875	0.8
109.10164	3.6
111.08017	0.6
113.09662	0.4
117.07016	1.6
119.08601	2.5
121.10155	4.9
123.11702	1.6
127.03951	0.9
129.06604	51.3
130.05006	100.0
131.05353	0.5
131.08586	2.8
133.10129	2.2
135.11711	4.4
137.13208	1.0
143.08679	0.4
145.10117	2.6
147.07646	42.0
147.11617	2.1
149.13268	2.8
159.11714	1.6
161.13300	1.1
163.14809	1.9
173.13257	2.0
175.14870	0.6
177.16414	1.3
187.14841	0.8
201.16379	0.5
203.14545	0.4
214.07420	0.5
214.94180	0.4
233.22571	0.7
243.21086	4.3
261.22150	15.9
278.24939	1.1
327.23132	1.0
344.25879	3.1
362.26843	2.4
372.25290	3.4
389.27963	3.1
390.26382	11.4
407.29047	30.0
408.29065	1.1
425.30072	3.9
515.31042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.4
55.05264	2.4
55.05515	45.2
57.03435	14.9
57.07063	7.1
61.02923	5.7
65.03915	2.1
67.05508	50.7
69.03434	7.0
69.07067	12.0
71.04986	2.7
71.08627	3.3
71.19144	2.4
79.05494	46.0
81.03413	3.4
81.07059	45.0
83.04991	4.0
83.08141	2.1
83.08624	33.9
85.02897	5.0
85.06554	3.1
85.10150	1.7
89.06036	2.2
91.03953	3.1
91.05482	18.2
93.07052	40.4
95.04975	3.1
95.08036	2.4
95.08614	29.0
97.02901	2.3
97.06536	3.7
97.10176	68.9
99.08061	1.9
101.09671	1.6
105.07056	12.7
107.07861	2.1
107.08598	32.0
109.06532	1.9
109.10165	16.6
111.08089	3.8
117.07018	6.1
119.08600	10.4
121.10160	24.8
123.11703	4.7
125.09640	64.4
125.10555	3.5
131.08585	9.7
133.10133	12.3
135.08058	6.4
135.11694	21.1
143.10635	3.1
145.10133	6.3
147.11685	4.3
149.09653	1.7
149.13199	8.7
153.02869	1.5
153.09143	3.9
159.11670	7.3
161.13269	1.7
171.10199	4.7
173.13240	5.3
187.14900	2.2
189.11234	49.1
189.12941	3.0
191.09546	2.0
205.19533	1.8
212.41878	1.5
215.17963	25.6
227.12781	68.5
227.20032	2.4
233.19012	29.2
233.22629	1.8
239.23717	2.8
240.24353	1.3
245.13866	100.0
246.14009	1.5
251.20085	2.2
307.22684	91.4
308.22968	3.0
313.27365	6.6
314.27731	5.5
315.27963	4.7
331.28287	1.9
332.28876	2.3
333.29031	2.9
385.27371	2.1
459.31021	4.8
477.32156	57.0
495.32788	2.0
527.36621	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28788	0.6
70.01673	2.9
70.77251	0.7
95.08622	0.8
98.00064	0.7
98.21396	1.1
107.08606	0.9
110.66914	0.7
141.41086	0.7
160.13704	0.7
172.36723	0.6
214.25836	0.7
221.48251	0.8
222.11676	0.8
353.17929	1.0
365.17465	0.9
367.19171	1.8
377.17841	1.1
381.17014	1.1
381.21631	0.8
391.19302	1.1
393.20898	1.0
395.18805	2.3
409.20404	1.8
410.20847	1.0
421.20215	2.0
422.21149	1.5
425.23453	1.2
433.20480	0.9
435.22086	1.3
437.19000	1.0
437.24075	1.0
438.20511	2.9
439.20990	0.9
445.20148	1.4
446.20990	1.0
447.22324	1.4
451.21530	1.6
453.22955	8.6
459.21988	2.0
460.22595	1.5
462.20627	1.5
463.21707	0.9
465.22910	2.1
469.26044	1.6
473.23581	1.4
474.24088	1.9
475.20654	1.0
476.22067	1.8
479.20657	1.3
483.23877	1.6
491.20844	0.7
493.22095	1.0
494.23386	1.0
495.24152	1.4
497.25601	4.1
501.22800	0.9
502.23682	2.5
503.20840	0.9
505.18652	1.0
507.23920	1.5
511.27408	0.9
512.27979	3.1
522.22089	1.3
523.25427	0.9
524.24255	1.0
525.24927	2.6
529.22217	1.4
530.23590	1.4
533.25385	2.6
537.24805	1.0
538.25793	2.1
540.27441	6.8
545.25592	2.2
551.25378	1.6
561.24841	2.0
563.26593	2.5
565.24573	0.9
579.25793	1.5
589.24573	5.8
593.27557	3.6
595.25995	2.4
607.25024	1.6
609.26721	0.8
611.24957	5.9
621.27228	1.6
627.28180	2.1
639.27850	9.8
653.29443	2.2
671.30640	100.0
672.30872	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	673.3404
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
50.26010	0.3
53.31156	0.3
59.58619	0.3
61.83900	0.3
69.43453	2.6
76.27335	0.3
81.07061	0.4
98.21016	1.4
98.21586	0.4
126.61913	0.3
148.81459	0.3
177.02037	0.4
185.04239	0.5
205.15588	0.3
259.07889	0.6
285.47342	0.3
342.64069	0.4
347.09558	1.1
349.23721	0.5
352.00433	0.4
511.28833	17.7
512.29175	0.4
535.23785	0.4
595.25299	0.6
673.34058	100.0
674.34528	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	671.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36803	0.4
56.52005	0.4
57.07080	0.5
62.38970	0.5
67.05511	0.6
67.18482	0.5
71.58518	0.5
81.07069	1.2
81.09167	0.5
91.87083	0.5
98.21136	0.4
105.07044	0.7
125.15186	0.6
125.16174	0.4
162.15411	0.4
220.01212	0.5
246.86758	0.5
313.54953	0.5
314.13144	0.6
360.13293	0.7
377.17487	0.7
379.19257	1.5
391.19156	1.2
392.19852	0.7
393.20978	3.0
395.22388	1.1
405.16611	2.5
405.21677	0.6
406.17950	1.5
407.17813	0.9
407.22864	4.6
408.23047	1.2
419.18399	3.0
420.19742	2.3
421.20264	6.7
423.21875	4.9
433.19937	2.8
434.21176	4.9
435.21970	6.5
436.22736	1.6
447.22556	1.2
448.18353	0.9
449.19614	15.7
450.20526	0.6
459.21973	1.3
461.23746	0.7
462.20645	1.4
463.21213	3.6
464.21979	3.7
465.23349	0.8
477.23117	0.9
479.20752	0.7
481.22452	1.4
491.25128	0.7
493.22357	1.6
495.23599	1.0
507.24075	1.7
509.25827	1.1
521.25867	10.3
522.26239	0.9
523.27045	1.8
535.23395	1.0
547.27502	1.0
549.24969	1.4
550.25909	0.9
551.26172	1.1
553.24414	0.8
567.26196	1.9
581.27905	8.6
582.28320	1.4
595.25250	0.9
607.29175	0.8
610.27820	1.2
610.57214	0.5
611.27179	4.6
671.28961	100.0
672.29175	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	671.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16267	0.7
67.05515	0.8
70.19122	0.8
70.19467	3.2
82.25374	0.7
88.85644	0.7
94.46854	0.7
98.21090	1.7
190.63638	0.8
236.13029	0.9
367.19131	2.0
395.18860	1.2
404.20389	0.8
405.11151	0.8
405.20850	0.9
409.20453	1.1
410.20685	1.1
421.19943	1.4
437.24240	1.2
438.20590	2.4
439.21500	1.7
447.22009	1.1
448.22998	1.0
449.23654	1.3
453.18625	0.6
453.23151	6.2
463.21213	1.0
464.17859	0.9
465.23132	1.2
467.24841	1.2
469.26160	2.1
474.25067	0.9
476.22104	1.9
477.23047	2.1
483.24161	1.7
493.22681	0.8
497.25620	3.2
501.22614	1.1
502.23734	1.1
503.20966	1.6
505.18698	1.3
507.23987	1.3
510.25397	0.8
512.27844	3.1
523.19873	1.0
525.25006	3.1
533.25360	1.3
534.26019	1.0
537.25311	0.9
538.25873	2.4
540.27246	9.4
545.25470	1.3
551.26221	1.2
561.24506	1.8
563.26544	1.6
565.24316	1.0
579.26141	2.3
589.24237	1.9
591.47827	0.9
593.27417	1.2
607.25598	2.1
611.28711	3.0
639.28027	8.5
671.30768	100.0
672.31018	3.3
688.65710	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88000	1.0
67.05499	1.5
69.03427	1.3
70.06589	3.9
70.77481	1.4
70.77796	2.1
72.08159	1.3
79.05486	3.5
81.03406	2.1
81.07060	1.9
83.05014	1.1
84.04491	1.9
84.08125	1.3
85.02924	1.6
86.09699	2.0
87.38180	1.0
91.05457	2.0
93.07048	1.7
94.06590	1.0
95.04956	1.3
97.02901	1.6
97.06511	1.7
103.05480	2.4
105.07021	1.7
107.07364	2.7
108.08110	6.6
110.09612	1.5
120.08107	7.5
122.09686	7.7
129.10240	1.7
130.06517	1.7
136.07582	10.5
138.09204	1.9
143.08601	1.2
146.06029	1.8
146.09634	2.6
148.07584	12.8
150.09158	11.3
157.10159	1.6
164.07162	1.2
166.08664	2.8
172.26154	1.4
180.64311	1.2
212.85706	1.2
221.10716	1.5
225.10310	2.6
235.08614	4.1
236.09523	2.3
237.10210	7.0
237.65984	1.3
238.10905	3.5
239.11765	7.4
240.12518	2.3
248.09421	1.5
249.10304	6.4
250.11047	6.8
251.11832	15.2
252.12460	5.7
253.13304	7.3
254.10596	1.7
255.11255	1.4
263.11765	12.5
264.12573	4.2
265.09360	1.5
265.13361	20.2
266.10272	1.7
266.14056	4.0
267.11176	3.5
278.10403	2.9
279.11285	40.3
280.11914	1.8
281.13000	2.6
282.09906	2.6
285.12408	1.9
291.11267	3.2
293.12784	3.0
295.10764	1.7
296.11511	2.4
297.12341	16.1
299.13980	4.9
309.08783	2.4
309.12357	42.2
310.13104	1.7
311.13937	16.3
323.13733	1.8
325.15524	1.3
327.13626	1.9
328.14456	1.8
339.13287	4.3
342.15939	3.7
344.17554	1.8
351.13416	23.9
355.12796	2.1
356.13950	2.7
357.14612	6.8
358.19165	1.7
369.14481	22.3
370.15158	2.8
372.16821	1.4
372.20981	1.7
384.17294	1.8
385.13708	2.0
388.16681	1.9
400.20392	1.4
416.19577	1.7
431.18204	1.5
432.19177	4.4
443.18146	1.4
444.19247	2.4
462.20053	5.3
463.76923	1.4
476.21796	5.6
486.20190	1.5
504.21274	24.2
505.21600	3.7
506.23019	7.8
548.20300	100.0
549.20898	16.0
550.21881	36.7
551.22375	1.7
579.39996	1.4
585.27155	2.2
634.51404	1.3
671.26666	8.2
693.59247	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	2.2
67.05502	2.2
67.28381	1.3
71.08630	1.9
71.59047	1.2
79.05495	2.1
81.07066	1.6
81.42695	1.1
84.55915	1.1
89.06036	2.7
93.07038	1.8
132.08037	1.2
133.08597	1.3
223.12396	1.8
225.13850	1.4
235.12233	1.2
237.13982	2.8
238.14671	2.0
247.12442	1.2
249.14053	1.4
251.15654	1.7
261.13727	1.1
263.15491	1.4
274.13446	1.3
317.16217	1.2
334.23883	4.2
335.24124	1.6
379.19461	3.2
381.20755	2.8
393.21179	1.8
395.22507	2.1
407.18625	2.5
409.20227	2.0
419.22699	1.7
421.20151	2.1
423.22104	1.6
425.19583	1.5
431.19299	1.3
433.20068	1.6
435.22208	2.1
437.23669	3.2
439.20981	1.8
447.21976	3.5
448.19516	1.1
449.19879	3.6
451.21417	1.4
453.23041	4.8
454.23599	3.4
463.22021	5.3
465.23059	2.2
472.44238	1.3
475.21460	1.5
482.23169	10.4
509.21960	4.3
510.22623	1.5
537.21295	1.6
541.22815	1.3
547.27289	1.6
551.23309	1.4
569.24158	17.0
579.22211	2.6
592.26770	4.5
595.25452	2.3
597.23474	13.4
607.29535	1.6
612.25897	2.7
619.25177	1.4
621.23712	3.6
624.29364	7.0
639.24799	1.9
653.27472	2.6
670.50360	4.9
671.27209	100.0
671.39490	3.8
671.51257	2.8
672.27209	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	670.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15945	1.4
51.66209	1.5
53.03928	1.8
53.06886	1.5
55.05301	1.8
55.05516	23.3
57.03442	8.0
57.07071	11.7
61.02634	2.6
61.02927	31.0
67.05505	29.2
69.03414	4.7
69.06714	2.8
69.07072	33.3
69.07445	2.1
70.06549	5.0
70.06945	2.9
71.08631	5.7
73.02913	10.8
79.05495	21.5
81.06579	2.5
81.07058	48.1
83.04990	1.8
83.08624	34.4
85.02908	42.0
85.06548	2.1
85.10168	3.9
91.03957	29.8
91.05473	3.6
93.07051	27.2
94.70592	1.6
95.08608	35.7
97.02897	17.0
97.06528	11.3
97.10179	22.1
99.04475	1.6
107.08597	17.9
109.10144	12.8
111.08109	7.9
111.11731	3.8
115.03967	2.2
115.11201	1.9
119.40008	1.6
121.10151	52.0
123.11702	13.0
125.09621	4.3
127.03924	12.8
127.11224	1.6
129.09090	2.0
135.11700	38.2
136.06190	3.6
137.13248	9.9
139.11218	3.5
141.12685	2.3
145.04967	16.4
149.13274	15.0
151.14944	2.0
153.12746	2.1
157.12056	1.5
163.06017	26.0
163.14804	8.2
177.16400	2.4
219.21095	51.9
220.21391	1.7
237.22139	100.0
238.22212	1.5
255.23215	29.6
280.47314	1.7
311.25833	64.7
312.26508	2.1
329.26855	81.5
652.85956	1.8
661.49353	1.9
670.25610	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	669.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35978	0.8
67.71082	0.7
71.58545	0.8
98.20798	0.8
98.21358	0.9
111.25328	0.8
145.86053	0.9
229.83447	0.8
240.90492	0.9
247.13106	2.1
537.12659	1.2
669.39685	100.0
670.40186	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	669.2918
Annotation	Agrimol G
Peak:m/z	Relative Intensity
58.67183	0.3
67.05496	0.7
69.75479	1.6
81.07053	0.6
91.05529	0.3
93.07072	0.5
105.07043	0.4
120.95151	0.3
121.10152	0.3
136.06227	0.4
197.10779	0.3
204.06503	0.3
221.59175	0.3
274.52795	0.3
316.14212	0.3
374.18451	0.3
377.17719	0.7
378.18500	0.5
379.19287	0.6
390.18744	0.5
391.19269	1.4
392.20166	0.5
393.20810	1.4
395.22455	0.4
405.16354	1.9
405.21204	1.0
406.17679	1.0
406.22223	0.7
407.17645	0.5
407.22662	3.9
417.16968	0.6
418.17560	1.7
419.18503	3.7
419.23755	0.4
420.19095	2.0
421.20389	4.0
423.22040	0.5
432.19711	0.5
433.20377	11.1
434.21143	4.9
435.21951	5.5
436.22641	1.5
445.20490	0.6
446.20975	1.1
447.17181	0.7
447.23138	1.5
448.18384	0.6
449.19562	5.8
450.20166	0.4
461.18915	0.5
461.24463	0.5
462.19998	1.6
463.21317	3.3
464.22076	1.1
465.23196	0.6
473.19394	0.4
475.21307	1.0
477.23389	0.6
479.24466	0.5
481.22009	0.5
493.22604	2.0
495.24222	1.3
505.22525	1.1
507.19992	0.8
507.24368	0.8
508.21274	0.6
509.21094	1.6
517.22931	0.5
519.23285	0.5
520.24677	0.9
521.26141	6.6
522.22516	4.3
523.23193	3.8
535.23877	1.5
548.24036	0.4
549.25006	4.2
550.25415	0.4
565.24823	0.8
567.22949	1.4
577.24402	0.9
580.26764	1.1
581.28296	1.8
591.25854	0.9
609.27026	15.3
610.27551	0.8
637.26526	0.6
651.28265	0.5
669.29193	100.0
670.29669	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	669.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71508	0.8
69.71924	1.0
98.21293	0.9
125.96652	0.3
177.38097	0.3
181.90263	0.3
209.10735	0.4
225.01923	0.3
230.21518	0.3
309.17935	0.3
377.17847	0.9
378.18430	0.6
379.19360	0.9
390.18289	0.7
391.19531	1.7
392.20267	0.9
393.20740	1.8
395.22641	0.3
403.19522	0.4
405.16306	2.3
405.21021	1.1
406.17914	1.0
406.22180	0.6
407.22583	5.2
408.23190	0.6
418.17484	0.4
418.22186	0.5
419.18179	3.5
419.23193	0.8
420.19370	1.8
421.20197	4.0
423.21948	1.0
431.18695	0.7
432.19653	0.4
433.15549	0.6
433.20703	3.9
434.21143	3.8
435.21817	8.4
436.22580	1.0
447.18069	1.9
447.22647	1.3
448.18759	0.7
449.19653	6.2
450.20093	0.4
459.22025	0.5
461.19669	1.4
461.24707	0.4
462.20300	3.5
463.21222	5.3
464.22043	1.2
465.23346	0.6
475.21243	1.0
479.20297	0.7
489.22714	1.0
491.20844	0.4
492.21365	0.4
493.22452	0.7
507.20462	1.0
521.25818	9.4
522.22455	1.3
523.23438	0.6
535.23279	1.1
547.27301	1.1
549.25000	23.0
550.25317	1.0
567.23242	0.5
577.24304	0.5
581.27844	3.5
591.25385	0.4
609.27100	14.2
610.27405	0.7
669.29156	100.0
670.29498	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	669.2915
Annotation	Agrimol G
Peak:m/z	Relative Intensity
55.05511	0.6
67.05509	0.4
69.38936	0.4
69.39232	3.6
75.04495	0.5
76.79345	0.4
79.05515	0.6
81.07059	0.6
91.05509	0.5
95.08609	0.6
105.07031	0.5
131.08656	0.5
170.87935	0.4
197.13297	0.4
351.90756	0.4
377.17673	0.6
391.15182	0.6
391.19577	0.9
392.20340	0.6
393.20700	2.9
404.20459	0.5
405.16669	2.2
405.21597	0.9
406.21902	0.8
419.18658	3.5
420.19250	2.0
421.20343	5.0
431.18741	0.7
433.21136	2.0
434.21707	0.7
435.17865	1.1
445.20197	0.6
446.17032	0.5
447.17206	2.5
447.23270	0.6
448.18726	2.9
449.19830	4.3
450.20685	0.5
461.20172	2.7
462.20795	1.2
463.22043	1.0
464.22443	0.5
473.19693	1.2
475.21381	1.3
476.18301	1.0
477.18860	2.5
479.25211	0.5
489.18686	2.1
490.19949	0.7
491.20880	1.6
492.21576	0.6
503.20956	1.4
507.24304	4.5
521.25049	0.5
522.22772	0.5
523.23108	0.8
535.23529	9.3
535.31140	0.4
537.51367	0.5
549.24884	3.5
550.25568	0.6
559.23279	1.1
563.22839	16.1
564.23572	0.7
567.26105	0.7
577.24158	3.3
578.25104	1.1
579.25848	1.2
581.27423	1.9
595.25647	3.6
605.23792	0.5
609.27252	4.6
619.25726	0.6
623.24854	5.7
637.26569	1.5
638.28247	0.6
641.29724	1.5
669.29193	100.0
670.29620	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	668.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
55.01873	1.8
55.05518	12.0
56.60776	1.0
57.03442	5.6
57.07078	11.1
61.02931	24.3
64.08940	1.0
65.03919	1.6
67.05508	55.8
67.45368	1.1
69.03424	4.5
69.06723	1.6
69.07075	20.4
70.47540	3.5
71.04997	2.6
71.08633	4.9
73.02926	10.9
79.05496	16.9
81.03436	2.0
81.07063	73.4
83.04961	2.0
83.08621	10.5
85.02911	27.3
85.06532	4.7
85.10197	3.4
91.03965	22.8
91.05480	14.7
93.07057	17.6
95.04987	1.7
95.08615	60.2
97.02893	11.9
97.06509	6.8
97.10178	6.6
98.20908	1.9
98.21434	1.4
99.04485	1.7
99.08092	7.9
102.09125	1.2
105.07043	12.6
107.08612	10.4
109.06578	1.5
109.10162	23.7
111.08071	3.5
111.11721	1.7
113.09663	5.6
119.08591	13.7
121.10158	18.2
123.08102	1.4
123.11721	16.2
125.09666	1.7
127.03929	8.5
127.11188	5.2
129.05475	1.5
131.08594	1.8
133.10133	18.7
135.11707	17.4
137.09621	2.7
137.13261	16.7
139.11148	2.5
145.04968	11.1
147.11702	11.8
149.13287	6.1
151.14835	13.7
153.12746	1.9
161.13260	12.4
163.06029	20.0
165.12730	1.2
175.14861	6.2
189.16418	2.7
191.17990	1.6
191.55011	1.1
217.19537	78.2
218.19939	1.6
235.20587	100.0
236.20895	2.7
237.22406	1.2
253.21574	3.1
284.33719	1.1
309.24274	43.5
327.25250	11.5
471.29578	4.7
551.86285	1.3
699.62451	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.1
56.83382	1.2
64.44284	2.1
67.05507	7.7
69.07066	3.6
69.88123	7.9
77.76067	1.5
79.05489	6.4
81.07049	7.7
91.05458	4.0
93.07041	3.9
95.08604	3.9
97.10172	1.5
98.20955	3.1
98.21500	1.5
105.07040	2.7
107.08654	3.1
109.10175	2.5
114.87919	1.4
119.08587	1.6
121.10174	3.4
122.56037	1.3
133.10197	1.7
248.33076	1.4
250.09631	1.6
301.96744	1.4
310.07346	1.4
311.29782	1.3
317.24808	2.0
318.25146	2.4
333.20300	8.2
335.25769	2.5
389.23019	4.8
392.29395	1.6
395.01172	1.4
494.53049	1.7
607.23181	1.9
649.53394	1.9
667.26886	2.8
667.45459	100.0
668.46057	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	668.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76932	0.9
53.03958	1.4
55.05513	8.7
57.03429	4.2
57.07078	11.6
58.33769	0.9
58.71879	0.9
61.02932	19.7
65.03954	1.4
67.05507	47.1
69.03423	2.3
69.06770	1.0
69.07077	11.0
71.04997	1.7
71.08624	2.8
71.31700	2.0
73.02924	9.1
79.05495	14.3
81.03400	1.7
81.07059	58.8
81.49705	0.8
83.08625	6.9
85.02418	1.8
85.02908	25.3
85.06531	3.9
87.04488	1.5
91.03965	22.3
91.05472	13.6
93.07048	15.4
95.08609	55.3
97.02888	11.8
97.06516	4.1
97.10155	4.4
99.04441	1.9
99.08107	5.3
103.03934	1.4
105.07038	9.2
107.08596	11.7
109.06533	1.0
109.10155	17.3
111.08076	2.2
111.11673	1.9
113.09623	4.9
119.08585	12.4
121.10149	16.3
123.08042	1.8
123.11704	10.0
125.09579	1.6
127.03934	7.8
127.11192	3.9
133.10127	16.0
135.11700	15.3
137.09644	1.8
137.13258	14.8
145.04980	11.2
147.11713	10.6
149.13242	4.6
151.14830	13.2
153.12770	1.7
161.13268	12.1
163.06029	19.2
175.14806	3.8
189.16380	2.7
191.18019	1.2
217.19528	64.1
235.20578	100.0
236.20973	2.4
237.22116	1.1
253.21655	1.9
284.39987	1.0
309.24246	21.8
327.21945	0.9
327.25275	6.8
471.29416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.01868	12.9
55.05520	31.8
57.03450	26.5
61.54827	4.5
63.14494	4.6
65.03939	6.4
67.05506	72.7
69.03419	7.5
69.07072	53.0
79.05495	88.3
80.05837	4.4
81.03401	12.6
81.07058	100.0
83.04977	12.7
83.08611	17.1
85.30349	4.7
91.05482	67.1
93.07048	88.0
95.04971	21.6
95.08595	45.8
97.06532	18.9
105.07033	48.5
107.04930	12.0
107.08597	45.8
109.06512	15.3
109.10168	13.2
111.08117	5.3
115.05479	7.7
117.07023	26.0
119.08589	37.5
121.06483	6.7
121.10155	37.4
123.08055	13.9
129.06973	15.6
131.08565	41.8
133.06509	8.9
133.10118	31.8
135.08054	20.9
135.11671	17.3
137.09610	10.2
141.06982	8.1
143.07019	5.4
143.08490	8.2
145.10106	33.4
147.11659	16.3
149.09596	24.5
149.13257	13.4
151.07565	7.0
151.11151	7.7
155.08566	7.0
157.10100	17.1
159.11703	18.9
161.09575	6.8
161.13211	5.7
163.11171	13.4
167.10643	6.4
169.10130	7.3
171.11676	8.0
173.13263	9.7
177.12686	7.9
181.10213	5.0
187.10948	5.3
195.11635	4.6
195.13736	6.8
201.16408	8.6
211.15018	4.5
212.65736	5.2
227.12808	10.5
229.15852	10.0
231.58006	4.8
241.14328	23.3
247.16924	10.4
255.15891	6.5
257.18924	8.5
269.17468	23.7
275.20081	15.6
321.20593	16.4
349.23761	21.0
421.25772	18.8
435.27173	12.7
515.33569	15.5
589.19556	8.0
609.26605	6.4
648.22711	32.9
649.23163	5.9
666.23016	11.4
667.30518	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	666.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01875	2.3
55.05511	8.9
56.05029	3.2
57.03422	4.0
57.07075	1.7
58.99017	1.1
61.02911	2.4
65.03929	1.9
65.49207	1.3
67.05502	22.3
69.03425	11.9
69.07068	9.7
69.47398	1.1
69.93627	4.6
70.06593	11.2
71.04985	2.6
72.08154	2.0
73.02912	1.8
76.02229	3.1
79.05492	16.2
81.03419	7.9
81.07058	50.2
83.08620	3.0
84.04483	1.7
84.08140	2.8
85.02905	35.8
86.09690	3.3
87.00829	8.4
88.54424	1.0
91.05476	20.8
91.70303	1.1
93.07048	35.8
95.04964	3.3
95.08608	62.3
97.02908	14.3
97.06513	1.3
97.10145	2.8
99.04454	4.9
101.04267	2.0
102.05556	3.4
105.01866	24.9
105.07031	59.9
107.08594	57.7
109.02872	8.6
109.06519	2.7
109.10156	42.6
110.07151	1.5
110.09678	5.1
110.10385	1.1
111.08083	1.6
111.11699	1.4
117.07047	1.3
119.08587	41.3
120.08109	3.2
121.10149	17.4
123.11710	9.8
127.03919	23.6
129.10274	1.3
130.05006	1.4
130.06544	2.2
131.08546	3.7
133.10133	24.9
135.11690	13.7
145.04968	10.8
145.10121	2.6
147.11676	48.5
149.13268	1.6
151.11128	1.4
154.12244	3.2
156.10204	5.1
159.02888	1.8
159.11774	2.4
161.13260	14.2
163.14838	12.0
167.06351	2.2
175.14798	7.5
179.04842	1.9
179.26814	1.2
200.12802	19.5
203.17957	100.0
213.03860	1.3
213.06888	7.6
221.19026	5.2
231.04987	9.2
233.05937	1.3
249.06111	3.6
259.11148	2.4
261.07187	2.0
308.09027	3.7
321.26682	1.3
400.26981	1.4
550.45532	1.3
625.84174	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
53.43914	1.8
55.01875	5.8
55.05514	35.5
57.03440	19.0
57.07076	8.8
59.34865	1.7
60.48698	1.8
62.47389	1.8
65.03943	4.0
67.05506	100.0
69.03421	3.1
69.07064	40.5
70.07095	7.5
70.19023	1.8
71.05004	5.0
71.08638	3.9
75.81931	1.7
77.79202	1.8
79.05495	56.5
81.07058	94.0
83.04990	6.5
83.08620	20.4
85.06531	5.1
87.04473	2.3
88.93056	1.6
91.05483	45.8
93.07050	56.0
93.07632	4.3
95.04970	8.6
95.08608	65.4
97.06534	8.9
97.10163	12.1
98.21423	2.7
99.08101	5.5
105.07037	41.3
107.04990	2.7
107.08591	33.8
109.06509	6.6
109.10157	29.4
111.08070	5.6
111.11812	2.3
117.07030	16.7
119.08578	36.0
119.09360	3.5
121.10146	23.8
123.08094	5.2
123.11717	8.9
125.09629	8.7
128.06232	4.4
129.07001	7.5
131.08575	24.0
133.10130	23.3
135.08096	2.2
135.11684	7.7
137.09601	3.8
137.13287	3.6
143.08554	10.7
145.10120	22.2
147.11674	19.2
149.09605	6.2
149.13266	8.4
151.11157	2.3
155.08713	2.7
155.16006	2.1
157.10153	7.9
159.11688	17.7
159.44733	2.0
161.09598	2.0
161.13243	9.4
163.11176	6.7
163.14790	4.4
169.10092	4.2
171.11693	4.1
173.11855	2.3
173.13264	5.7
175.14801	5.3
177.12758	2.9
177.16463	1.9
183.11700	4.2
185.13255	15.9
187.14780	5.3
189.11240	4.5
189.16502	2.3
197.13336	4.5
201.16347	4.3
203.14337	6.8
219.17477	5.8
227.12758	17.7
229.14340	4.3
229.19518	2.6
239.17958	7.8
243.20927	2.0
245.22670	2.7
256.72311	1.9
257.18985	19.4
259.20334	2.0
261.22131	3.2
263.23752	2.7
267.15909	3.5
269.17419	6.2
275.20071	34.2
277.21649	2.3
293.21048	2.8
293.81067	2.0
328.08051	4.0
331.22461	3.8
335.25720	12.1
337.27383	72.5
349.23694	28.9
351.25150	5.1
440.19513	2.1
491.37146	7.8
496.26337	3.8
507.36719	3.4
515.41461	2.8
529.38928	15.8
548.42767	3.1
551.32098	2.7
552.32770	5.9
571.43390	3.2
608.39215	4.3
611.46570	34.9
612.46857	2.7
629.47430	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	664.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.5
55.01862	15.2
55.05514	27.9
55.22252	3.7
57.03440	22.4
57.07094	5.9
61.08245	3.8
65.03928	6.6
67.05506	77.3
69.03428	15.3
69.07069	75.2
69.07423	3.0
69.37255	11.0
69.37669	31.1
71.04999	6.4
79.05494	100.0
81.03410	13.7
81.07056	94.8
83.04987	11.1
83.08609	16.2
85.06567	5.2
87.04462	11.0
87.25757	4.8
91.04969	5.8
91.05489	85.2
93.07043	79.1
95.04985	22.1
95.08611	58.2
97.02879	9.3
97.06519	18.5
97.10155	10.2
98.20648	7.2
103.03942	4.9
105.07036	62.0
107.04931	17.5
107.08598	37.2
109.06503	14.3
109.10158	19.9
111.08103	7.1
115.05353	4.2
117.07008	33.2
119.08584	46.6
121.06496	6.7
121.10135	52.7
123.08076	22.5
125.09649	10.5
128.06183	7.4
129.06993	12.6
131.08578	41.8
133.06499	5.9
133.10098	30.7
135.08049	19.8
135.11714	8.8
137.09616	9.2
143.07118	5.3
143.08580	14.7
145.10107	19.7
147.08041	18.0
147.11671	15.8
149.09628	31.8
149.13261	8.5
151.07527	8.5
151.11160	7.6
155.08583	4.5
157.10118	12.2
159.11739	10.1
160.67377	4.8
161.08011	5.3
161.09592	7.0
161.13217	6.3
163.11108	6.4
165.09117	5.7
167.10667	5.7
169.10074	5.4
171.08098	4.2
171.11702	4.4
172.65939	4.1
173.13277	10.0
177.09125	4.9
177.12787	9.7
183.11639	5.6
185.13235	4.6
187.14851	8.7
189.16394	7.1
199.09688	10.1
199.14865	9.6
201.16368	6.9
217.15849	8.9
223.13200	10.2
225.11151	10.1
229.15944	10.2
241.14307	13.2
245.15300	11.8
255.15834	7.9
257.18982	5.4
263.16351	7.1
269.17450	16.7
273.18518	10.2
275.20074	10.3
289.54892	4.5
291.19534	55.4
319.19043	4.3
321.20493	7.5
337.20248	21.3
349.23782	8.3
365.23331	22.0
447.86987	4.6
517.31287	11.9
531.33258	46.5
540.61285	4.9
588.89166	4.3
611.39227	6.0
646.66174	4.1
664.46912	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	664.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81565	4.6
52.91342	4.4
53.03937	9.4
54.56309	4.3
55.01866	12.8
55.05517	34.0
57.03423	22.2
57.07069	5.3
65.03931	7.3
67.05507	88.7
68.16689	5.4
69.03416	17.7
69.07066	77.8
69.58031	7.5
69.58423	30.7
71.04998	9.7
77.03946	5.5
79.05065	6.4
79.05495	95.5
81.03386	12.2
81.07060	84.8
83.04971	18.9
83.08608	23.0
87.04454	16.9
91.05492	91.1
93.07040	100.0
94.07382	5.1
95.04958	20.1
95.08608	49.7
97.02879	14.8
97.06524	23.2
97.10179	11.3
98.21284	17.8
99.08109	5.2
103.05506	7.0
105.07030	63.6
107.04948	20.6
107.08613	62.2
109.06496	14.6
109.10163	11.9
111.08080	7.6
113.69515	4.8
115.05434	6.3
117.07018	37.8
119.08587	63.2
121.06483	9.2
121.10134	60.0
123.08060	20.4
125.09643	14.3
129.06987	17.1
130.07753	6.0
131.08568	48.3
133.06500	48.2
133.10159	31.9
135.08046	25.5
135.11703	14.6
137.09639	7.4
141.06969	8.0
143.06982	6.5
143.08566	17.8
145.10197	31.1
147.08018	18.3
147.11644	17.9
149.09656	31.2
149.13257	9.3
151.07521	7.1
151.11165	5.4
153.09024	6.8
155.08609	7.2
157.10124	14.4
159.11658	15.3
163.11203	7.3
167.10751	8.0
169.10124	7.7
171.11678	6.1
173.13202	10.0
181.12167	5.4
183.11676	5.5
189.11179	7.9
189.12709	12.3
191.14275	14.7
199.09610	6.1
199.14801	14.7
207.13844	11.5
223.13297	15.3
227.12717	12.6
229.15984	5.7
241.14360	11.2
245.15382	13.3
269.17496	9.9
273.18536	9.5
275.20190	13.9
291.19559	68.5
321.20526	11.9
337.20020	15.8
365.23209	20.3
379.52985	5.7
444.02066	5.9
517.31085	10.8
531.33173	40.0
611.39117	11.6
664.38019	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	664.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01875	3.8
55.05518	18.0
57.03426	6.1
57.07078	6.3
60.04514	4.0
62.46202	3.3
67.05177	3.1
67.05509	45.3
69.03436	17.5
69.07051	15.9
70.17320	3.2
70.17661	15.0
71.04988	4.3
75.04478	3.6
77.83299	3.0
79.05061	3.3
79.05497	39.7
81.03416	24.6
81.07056	47.3
83.04981	13.4
83.08611	7.9
85.02911	26.1
85.06524	3.5
89.06012	6.8
91.05481	30.2
93.07049	37.0
94.35712	3.4
95.04950	12.0
95.08611	39.2
97.02908	7.2
97.06523	8.3
97.10175	5.6
98.20824	4.6
99.04396	3.4
101.07107	3.0
105.07039	35.9
107.08591	32.2
109.02862	7.8
109.06529	17.3
109.10159	18.1
111.04418	4.9
111.08073	8.1
117.07021	14.4
119.08585	30.2
121.06489	5.6
121.10136	37.8
123.08067	11.0
123.11721	27.3
125.05974	3.4
127.03935	7.7
129.06999	8.8
131.08621	20.2
133.06448	4.3
133.10147	17.4
135.08064	6.0
135.11679	16.0
137.09613	37.7
143.08548	9.0
145.10143	17.4
147.08037	10.1
147.11687	32.2
149.09587	8.9
149.13264	5.5
151.07544	5.2
156.09383	3.9
157.10107	9.9
159.07993	4.2
159.11696	16.8
161.09589	4.3
161.13261	14.5
163.11153	6.0
165.09073	8.9
165.12747	100.0
167.10619	5.5
169.10127	3.9
171.11688	12.0
171.15480	2.9
172.33711	3.5
173.13255	11.9
179.14334	10.8
181.10190	4.1
183.07600	3.1
185.13231	5.7
189.11584	2.7
189.12793	27.4
199.14780	4.3
207.13800	46.7
259.20419	4.2
261.22183	8.8
273.22067	4.5
277.21671	5.9
285.21945	5.7
289.21719	4.1
297.22113	3.2
301.21417	4.3
303.23087	11.5
309.21970	3.2
327.22992	3.5
341.24631	4.5
351.23056	4.4
369.24344	16.3
387.25287	20.3
405.26273	17.8
479.24863	3.5
616.66705	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	664.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.3
57.03436	14.5
59.49692	2.4
60.93831	3.3
61.02924	6.3
67.05505	29.7
69.03423	3.6
69.07074	33.2
70.97505	3.5
70.97839	5.1
71.04969	3.0
73.02930	4.2
73.06560	2.7
79.05491	35.6
81.03393	16.3
81.07061	100.0
83.04991	5.4
83.08607	6.7
85.02905	11.1
86.09708	3.9
91.05492	24.0
93.07045	29.3
95.04978	4.6
95.08609	10.8
97.02907	4.5
97.06523	11.9
99.08074	4.0
105.03355	3.3
105.07027	13.3
107.08576	17.8
109.06530	3.8
115.07581	3.4
117.07027	10.0
119.08588	7.4
121.06468	4.1
121.10123	7.4
125.35715	3.3
127.07507	3.1
129.05450	4.7
131.08600	7.5
133.10123	8.1
135.08063	15.9
135.11636	3.2
145.08627	5.8
149.13277	5.4
159.11673	4.6
163.07587	3.4
165.09125	4.0
165.12637	3.3
177.08908	3.1
181.08479	3.5
195.13821	7.3
199.09654	2.9
201.11241	27.3
208.36993	2.9
269.17468	34.9
273.13303	7.4
395.24597	14.5
467.26389	36.5
485.27151	18.7
585.95001	3.7
656.98132	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	664.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60373	2.7
53.03945	8.4
55.01868	11.5
55.05519	41.0
57.03442	28.5
57.92382	2.9
58.17763	2.7
59.05005	6.1
61.02927	7.2
61.41776	2.9
65.03924	4.5
67.05509	100.0
67.05872	5.1
68.30426	3.3
69.03436	9.4
69.07075	24.4
69.96243	14.7
71.01360	6.2
71.04986	6.4
73.02895	4.8
79.05499	68.4
81.03413	39.8
81.07063	49.9
83.04972	17.0
83.08627	17.5
85.02898	28.3
85.06542	4.4
87.04478	5.9
91.05485	33.0
93.07050	72.0
95.04973	10.6
95.08618	35.9
97.02893	12.4
97.06523	7.4
97.10180	20.6
99.08091	4.4
103.03959	4.4
104.18073	3.1
105.07037	18.0
107.04960	12.6
107.08606	31.4
109.06512	3.1
109.10162	57.4
111.04455	3.0
111.08134	4.9
116.07132	3.0
117.06984	4.1
119.08608	18.1
121.10138	60.3
123.08060	8.3
125.09660	20.0
126.60680	3.1
127.03868	3.8
129.05507	6.0
129.07019	4.3
131.08571	22.9
133.10143	5.1
135.08136	4.6
135.11693	6.4
137.09619	7.4
139.11192	5.6
143.10670	4.8
145.06493	3.5
145.10139	6.3
147.08058	3.7
149.09619	29.5
153.12740	4.4
155.10686	4.0
163.07663	3.0
163.11203	8.8
167.10722	26.0
173.11749	25.2
175.11203	4.8
181.12236	5.1
189.46875	3.0
191.10730	5.2
193.12303	6.7
199.13310	9.2
201.11194	6.8
209.11765	5.8
211.13239	3.6
227.12804	7.4
229.14357	49.8
241.14357	94.9
257.13925	6.0
267.15994	5.3
269.13846	12.3
269.17484	3.3
283.15344	3.4
285.17139	3.0
301.16391	16.1
313.19693	3.5
317.08725	3.2
317.72693	3.5
329.21365	3.1
365.23267	3.4
371.17160	4.1
383.24341	4.0
395.24249	37.2
411.15424	3.0
417.55820	3.5
467.26181	37.8
485.27658	25.2
629.32068	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	664.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63295	0.7
55.05514	2.4
57.07071	1.0
67.05505	5.5
69.07053	2.0
70.02618	3.7
71.08622	1.4
72.74107	0.7
79.05504	3.8
81.07055	4.2
83.04976	0.9
83.08630	0.7
87.04475	0.9
91.05477	2.5
93.07043	3.5
95.04965	0.9
95.08592	2.5
96.08957	0.9
97.10155	1.1
98.20786	0.9
98.21312	1.4
105.07023	2.9
107.08592	2.7
109.10158	1.6
119.08589	1.4
121.10140	1.0
123.11655	0.8
125.09647	1.0
131.08560	1.2
133.10146	1.1
134.10478	0.9
145.10056	0.8
147.11711	1.4
157.09978	0.9
227.12827	2.0
228.89343	0.7
293.07294	0.8
335.25839	1.2
336.26163	1.1
351.25153	1.0
403.19324	1.4
415.19324	1.4
417.21094	1.3
429.16711	1.4
430.17346	1.3
431.18237	1.5
433.14755	2.0
433.23886	0.9
443.18561	1.4
444.18988	0.9
445.19873	1.5
446.15204	1.7
447.16531	1.7
456.19379	0.9
457.20276	1.6
458.15137	1.1
458.21033	2.0
459.21844	11.0
460.22491	2.7
461.14206	2.5
463.19635	5.5
471.21790	1.0
475.15195	5.2
476.16879	2.3
484.21429	5.1
485.23120	2.5
488.15656	1.4
489.16476	3.7
490.17892	7.2
491.18866	6.3
498.22485	1.1
502.17215	3.1
503.18747	3.3
504.19598	1.1
516.18378	1.5
517.20166	3.1
518.20197	4.7
531.24530	1.4
544.23407	1.4
545.25549	2.6
547.27161	5.7
549.23029	3.1
562.19952	2.8
577.22693	19.2
604.23694	26.8
606.28455	9.9
611.46777	0.9
632.23035	2.4
637.24799	14.7
663.48010	2.7
664.25732	100.0
664.49078	2.3
665.26196	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	663.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01861	0.6
55.05499	1.4
57.03437	1.2
57.06862	0.5
57.07083	4.4
61.02634	0.6
61.02927	5.7
63.29927	0.4
66.21655	0.4
67.05508	3.9
68.00992	0.4
69.03439	3.1
69.07059	1.3
69.81892	1.1
69.82305	1.3
73.02924	4.0
79.05491	3.6
81.03429	1.9
81.07066	14.8
83.04963	0.6
83.08620	0.7
85.02912	4.6
85.54303	0.4
87.04474	29.3
88.04804	4.6
89.06036	1.1
91.03972	2.1
91.05467	2.6
93.07054	3.3
95.04971	0.5
95.08624	2.8
97.02900	3.1
98.21297	1.2
99.04452	1.0
101.02352	1.3
105.07019	1.0
107.04975	0.4
107.08580	2.7
109.02892	0.9
109.06523	0.7
109.10170	1.5
115.03878	0.4
117.07066	0.6
119.08582	1.7
121.06532	2.0
121.10157	1.3
123.07981	0.6
123.36540	0.4
125.05972	0.4
127.03881	1.3
127.07570	1.0
131.07065	0.5
131.08565	0.8
133.10117	0.7
135.08038	0.6
135.11676	1.0
136.64603	0.4
138.28697	0.4
140.82884	0.4
143.08630	0.4
145.10153	0.8
147.08008	0.5
149.09563	0.5
150.06825	0.6
159.11714	0.5
165.09055	0.5
167.06921	0.5
177.52429	0.5
185.04208	0.9
191.10765	0.5
201.11261	1.0
202.87785	0.4
212.79347	0.6
234.19360	0.8
243.08345	2.2
269.17206	0.5
277.21771	1.0
278.22079	1.0
385.14670	9.3
519.29321	4.9
663.37061	100.0
664.37384	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	663.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01871	0.5
55.05518	1.8
57.03432	2.2
57.15009	0.4
57.87207	0.3
59.58058	0.3
61.02929	5.1
61.88378	0.3
66.03938	0.4
67.05511	7.3
69.03436	4.2
69.07081	0.8
69.73002	2.0
71.01331	0.3
71.04988	0.6
73.02924	4.0
79.05499	4.3
81.03427	1.7
81.07072	4.4
83.08618	0.6
85.02906	5.0
85.06537	0.5
87.04469	0.4
91.03958	3.4
91.05486	2.3
93.07044	3.8
95.04978	0.8
95.08607	4.0
97.02894	3.7
98.20938	0.6
98.21500	0.5
98.66890	0.3
99.04484	0.9
101.02391	1.9
105.07011	1.1
107.08599	1.2
109.02877	0.5
109.06516	0.5
109.10167	4.7
117.07040	0.5
119.08553	1.7
121.10152	2.5
127.03932	1.8
129.07005	0.5
131.08575	0.7
133.10120	0.9
135.11697	0.9
137.09659	0.5
143.08543	0.4
145.10101	0.7
147.11707	0.5
149.09700	0.6
159.11736	0.5
167.10710	0.5
173.11755	1.0
173.13251	0.6
195.10059	0.8
203.05328	0.6
222.76041	0.3
229.14400	0.7
234.16524	0.4
243.08452	1.5
263.51389	0.3
307.22653	0.7
337.94077	0.4
413.17899	4.3
491.26129	8.5
663.37164	100.0
664.37286	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.2
53.03942	7.8
55.01871	5.6
55.05293	3.3
55.05516	36.9
57.03442	18.6
57.07079	7.9
65.03937	4.5
67.05508	100.0
69.03434	4.6
69.07067	42.2
71.04989	4.0
71.08619	3.3
71.61010	2.4
73.63213	2.5
76.65759	2.3
79.05502	71.8
81.07059	98.3
83.04981	10.0
83.08599	16.2
85.06522	5.3
87.04470	30.8
91.04960	4.8
91.05490	62.5
93.07050	78.2
95.04946	12.8
95.08608	62.3
97.06534	9.6
97.10162	16.0
98.20694	4.5
98.21387	10.8
99.08063	4.0
105.07037	54.9
107.04996	4.4
107.08598	46.8
109.06509	9.8
109.10173	25.5
111.08085	4.2
115.05440	3.4
117.06998	23.0
117.07581	2.1
119.08584	36.1
121.06525	3.0
121.10165	33.9
123.08048	4.2
123.11721	6.7
125.09627	14.8
129.07010	9.9
131.08592	31.3
133.10146	26.0
135.08090	7.2
135.11687	19.2
137.09663	2.7
139.11264	4.4
143.08583	12.2
145.10132	25.6
147.11700	20.6
149.09634	7.2
149.13248	4.7
151.11238	3.7
155.08534	3.7
157.10165	13.1
159.11693	24.9
161.09610	2.5
161.13261	11.0
163.11203	5.3
163.14825	3.9
169.10205	4.5
171.11702	7.5
173.13249	12.5
175.14806	3.0
183.11723	4.4
185.13284	12.4
187.14821	4.9
189.11234	6.7
197.00301	6.7
197.13266	4.8
199.14796	2.4
203.14302	6.6
219.17465	5.7
227.12819	20.4
229.14261	3.9
229.19453	3.5
239.17972	8.6
257.19104	15.9
261.22153	8.0
267.15958	6.0
275.20096	44.1
277.21619	5.9
293.21252	3.2
317.24890	4.0
335.25836	80.6
349.23737	40.3
465.90851	2.5
489.35712	6.3
495.27322	2.7
499.21457	2.4
505.34836	3.4
546.41211	5.0
609.45068	25.3
644.48474	4.2
662.35016	3.4
662.46606	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01856	3.8
55.05514	26.7
57.03440	15.8
57.07074	4.4
61.65720	1.6
65.03945	5.0
67.05508	100.0
68.05466	2.0
69.03419	4.0
69.06723	1.9
69.07073	30.6
69.39793	8.9
69.40216	4.3
71.04991	5.9
79.05495	70.4
81.03410	4.0
81.07062	95.5
83.04977	6.7
83.08623	12.3
85.06548	1.9
87.04477	18.8
91.05486	59.8
93.07049	77.0
94.64415	1.8
95.04973	13.5
95.08615	56.6
97.06541	10.4
97.10160	4.8
98.21092	7.4
98.57235	1.5
99.08093	3.0
105.04498	2.5
105.07041	41.7
107.04958	3.6
107.08608	45.7
109.06531	5.7
109.10158	28.5
111.08105	4.0
115.05451	2.0
117.07038	18.2
119.08583	26.7
121.06519	2.9
121.10147	26.5
123.08096	3.7
123.11698	5.8
125.09666	2.3
128.06242	2.7
129.07005	6.5
131.08574	27.9
131.55763	1.5
133.10129	26.5
135.08105	3.9
135.11711	22.3
137.09631	4.7
137.13168	2.1
137.59709	1.8
139.11182	2.0
143.08559	6.3
145.10117	16.3
147.08086	2.3
147.11708	18.1
149.09621	6.9
149.13255	12.3
151.11168	2.1
155.08585	2.0
157.10149	6.6
159.11681	16.1
161.13275	8.4
163.11209	4.0
165.12753	3.9
169.10117	1.7
171.11641	4.2
173.11920	1.9
173.13231	9.2
175.14828	2.8
177.12686	4.2
183.11658	2.8
185.13310	3.4
187.14806	3.8
195.13820	6.8
197.13354	2.9
199.14851	2.4
201.16496	2.5
219.17390	3.9
229.14420	3.6
229.19637	1.9
233.19162	2.5
239.18045	2.8
243.21088	3.5
253.14259	1.6
255.15918	6.4
257.19025	6.9
261.22116	9.3
267.16000	2.0
269.17526	9.8
275.20050	23.5
309.20590	3.3
317.24731	2.0
335.25821	71.1
336.26364	2.7
349.23669	14.0
367.24820	2.6
437.33719	1.8
455.35245	1.6
489.35507	3.9
515.37323	10.9
529.38879	61.4
530.39142	4.1
543.40509	1.9
569.42017	12.4
609.45013	8.5
627.45978	2.7
662.46167	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
56.05053	0.3
68.05022	0.4
69.03413	0.4
70.06591	100.0
70.38400	1.2
71.06929	0.4
72.08166	1.2
77.40963	0.3
81.03423	1.3
81.07018	0.4
84.04478	0.6
84.08148	1.5
85.02906	0.4
86.09700	3.9
97.02885	0.7
103.25224	0.3
105.02379	0.3
109.02884	4.2
112.07604	86.3
113.07921	0.4
113.96123	0.3
114.05528	0.6
116.07083	2.4
120.74975	0.4
127.03944	1.7
129.10252	0.9
130.06490	0.4
137.05974	0.8
140.07063	49.2
155.08192	0.6
157.13388	0.4
158.08136	12.6
174.06801	0.4
189.09052	0.6
196.72032	0.3
200.09186	0.6
212.09155	0.7
219.10196	0.8
230.10176	0.7
242.10164	0.5
266.10226	2.8
284.11295	8.4
302.12421	2.9
327.94193	0.3
335.35049	0.3
467.03906	0.3
507.50284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50809	9.7
55.05505	20.0
57.03427	10.5
57.07068	24.4
60.75826	8.4
67.05507	25.2
69.07072	22.6
70.71545	21.5
70.71866	8.2
71.08620	16.6
79.05514	48.5
81.07059	34.7
83.08607	12.6
87.04480	100.0
91.05492	43.0
93.07056	49.4
95.08620	21.6
97.92354	8.2
105.07038	30.0
107.08597	29.6
109.10149	25.6
119.08570	19.7
121.10140	16.0
125.20930	8.7
131.08545	22.8
133.10117	17.2
135.11768	10.6
136.06204	20.1
145.10109	16.5
147.11693	13.6
149.13214	9.1
159.11662	13.5
277.21692	13.2
290.70877	8.7
322.80637	9.8
402.24631	11.6
490.35452	9.7
609.45880	12.0
662.46954	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	661.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67687	0.6
70.06610	0.6
70.07842	0.6
70.48800	0.9
70.49136	1.7
79.40046	0.7
81.07046	0.6
86.09689	0.8
91.05508	0.8
118.98117	0.7
130.06548	0.9
183.45459	0.7
236.93037	0.7
374.15063	0.8
387.14847	1.9
388.15826	1.9
389.16336	1.2
392.16180	2.2
401.16217	5.7
402.17294	1.2
403.17856	1.4
404.18567	1.9
414.13144	1.3
415.13199	1.7
415.18289	7.9
416.14404	6.1
417.19305	2.0
418.16516	1.1
419.17200	2.9
428.14636	1.7
429.15695	11.4
430.16251	4.4
431.17282	31.8
432.17865	1.4
433.18973	1.3
442.12766	2.1
443.13406	8.4
443.17792	6.5
444.18665	10.7
445.19464	1.3
446.19376	0.8
447.16797	1.9
456.14334	2.1
457.14975	35.9
458.15411	3.7
461.18332	1.4
462.18903	0.9
468.18152	1.5
469.19247	1.2
471.16867	13.4
471.23318	1.0
472.17532	18.2
473.18466	2.4
474.15573	2.4
475.20633	5.6
476.20654	1.0
481.15445	0.9
482.15442	3.5
483.16736	1.1
485.14413	2.2
488.16791	4.4
489.17487	3.3
490.18213	0.8
496.17276	2.6
497.18286	10.4
498.18158	1.0
499.16428	2.6
500.17188	1.4
501.17563	0.8
503.19424	4.2
504.20184	1.7
514.18402	1.5
515.19495	2.9
517.21124	3.3
524.17004	2.4
528.20087	1.4
531.22083	3.7
543.18591	2.0
556.19489	8.2
558.21295	5.1
559.21954	2.7
560.22528	3.2
562.20654	1.0
563.25293	0.7
569.20459	2.4
586.20294	0.8
587.21533	3.5
590.23853	6.9
591.23334	0.8
597.19983	2.9
601.23285	0.8
618.23218	49.7
619.23987	34.5
620.23633	1.2
629.22461	19.8
630.22711	1.1
661.25055	100.0
662.25232	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	660.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40138	0.3
52.42108	0.3
52.55461	0.3
61.02935	0.5
67.05508	1.7
68.05054	0.4
69.03439	0.3
69.07069	0.4
69.42258	3.0
70.06592	100.0
71.04998	0.7
71.06923	0.7
72.08156	1.0
78.16468	0.3
79.05505	0.6
81.03413	1.6
81.07052	2.4
84.04494	0.6
84.08161	0.9
85.02924	1.3
85.06536	0.5
86.09713	0.7
91.03954	0.4
91.05494	0.7
93.07031	1.1
95.04987	0.3
95.08653	0.5
97.02892	0.9
105.07071	0.5
107.08628	0.6
109.02890	3.9
109.06499	0.5
112.07607	80.3
113.07909	1.1
114.05572	0.6
116.07090	2.4
119.08554	0.4
120.08075	0.9
123.11707	0.5
127.03943	0.7
130.05014	0.4
130.06552	0.9
130.88098	0.4
133.10130	0.6
137.05978	2.8
140.07066	46.0
141.07373	0.5
149.13184	0.5
158.08118	7.2
159.11739	0.9
175.07600	0.6
177.12729	0.8
179.14296	0.4
212.09232	0.5
224.09184	0.6
230.10225	0.8
230.61354	0.3
238.87859	0.4
243.15956	1.3
266.10263	3.3
269.17438	6.0
284.11279	5.3
291.10458	0.4
301.20053	1.3
302.12369	1.4
323.12729	0.5
452.00867	0.4
455.62082	0.5
472.76181	0.4
620.99799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2345
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.05505	1.8
67.05503	5.9
69.07057	1.7
79.05486	2.7
81.07061	3.9
83.08658	1.6
93.07021	2.3
95.08604	2.6
107.08698	1.4
109.10140	4.3
119.08599	2.2
121.10191	1.2
139.22786	1.3
224.23967	1.3
229.14310	2.8
386.13422	2.0
399.14465	2.6
400.15262	6.0
401.15927	1.6
408.12418	1.7
412.15320	2.1
413.16031	3.3
414.16650	4.3
421.13049	3.7
422.13638	5.2
423.14417	3.6
424.15381	1.7
428.18219	2.2
429.19461	2.7
435.14462	5.0
436.15353	6.6
437.16287	10.7
441.15381	3.3
442.16949	1.7
443.16714	2.4
449.16641	1.6
450.16751	4.8
451.18353	6.9
452.18280	4.0
453.15768	1.6
454.16382	1.7
455.17355	2.7
456.17676	3.9
457.18665	1.9
464.14664	2.8
465.15274	4.6
466.20511	3.1
467.17526	2.0
469.15057	3.9
470.15179	1.9
478.16290	4.7
479.17068	4.5
480.18134	4.6
481.14621	2.0
482.15610	3.7
483.16516	4.5
484.16910	6.5
493.18909	11.5
494.15829	1.2
494.19656	2.1
495.16470	4.1
496.17487	3.5
497.14963	1.5
498.15030	3.5
506.15170	1.5
507.16443	1.7
508.17404	8.1
509.18671	6.0
510.14716	3.1
511.18521	1.7
512.16461	18.3
513.16608	3.8
516.23816	2.3
521.18127	11.4
522.15625	4.5
524.16632	1.6
539.19147	2.7
540.19360	6.6
543.22223	2.7
553.20746	18.4
571.21674	2.6
572.22211	12.2
581.20337	54.5
597.27289	1.9
599.21045	35.3
600.21741	8.2
609.18805	1.6
613.22998	16.2
615.28314	6.5
622.22656	3.7
631.23566	3.9
641.22437	100.0
642.22534	5.6
659.23138	32.4
660.23132	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
55.01868	4.3
55.05512	26.8
57.03428	11.7
57.07059	9.9
57.07339	2.8
65.03933	2.8
67.05509	51.1
69.07072	24.8
70.31328	9.7
71.08614	12.3
74.60011	2.6
79.05499	41.5
80.60166	2.7
81.07058	64.1
83.04984	5.2
83.08604	10.3
85.06532	5.0
89.06062	3.3
91.05485	25.4
93.07045	62.3
95.04974	14.6
95.08607	44.4
97.06522	10.4
97.10156	6.9
98.20889	4.7
98.21399	3.8
98.98454	4.0
99.08098	13.2
105.07053	25.4
107.04988	3.5
107.08072	2.5
107.08603	28.7
109.06530	39.4
109.10136	15.7
111.08078	4.2
117.07002	7.8
118.17007	3.5
119.08591	23.0
121.06492	26.6
121.10139	18.2
123.08072	9.7
123.11686	4.2
131.08565	12.5
133.10129	12.6
135.08055	12.6
135.11705	9.4
139.11180	4.9
145.10123	12.6
147.11697	7.5
149.09598	3.4
149.13254	8.2
151.11172	3.8
155.01064	5.1
157.10181	2.8
157.79614	3.1
159.11694	10.7
161.13275	8.2
163.11194	9.1
165.12758	55.3
173.13208	5.9
175.14827	4.7
177.12721	16.0
180.09259	2.6
181.15860	5.5
187.14876	3.7
191.14230	13.7
197.13208	3.7
201.12671	3.5
205.15857	4.3
223.90425	3.4
241.19609	3.7
241.28844	2.7
251.16397	5.9
259.20737	6.9
261.22067	38.4
263.17996	3.2
289.21628	100.0
291.23145	11.8
307.22659	41.3
311.25851	3.9
322.78302	2.8
326.71805	2.8
333.24170	5.8
335.25806	72.4
345.24130	3.5
363.25275	20.5
365.26871	3.6
381.26337	7.9
398.18835	2.9
505.38681	4.3
623.46881	16.3
641.47955	18.6
659.44550	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	658.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.4
57.07074	54.6
60.77088	1.5
67.05505	4.7
69.07066	8.5
70.64567	4.4
71.08630	54.6
73.06544	6.1
79.05489	2.2
81.07050	6.8
82.79198	1.6
83.08615	5.7
85.10184	29.5
87.04471	8.7
89.06030	100.0
91.05470	1.9
93.07051	2.3
95.08588	3.0
97.10154	3.5
98.21173	2.4
99.11733	5.2
105.07040	1.8
107.07059	2.5
111.11718	3.6
113.13287	5.8
117.09135	5.6
119.08627	1.5
125.13278	2.0
127.14851	2.7
130.08595	1.7
131.07007	4.1
133.08614	65.5
145.10164	1.5
161.11774	2.0
177.11240	25.1
182.86890	1.5
216.83690	1.4
218.90804	1.4
221.13855	4.5
239.14996	2.3
271.26358	3.7
283.17468	2.8
309.18872	1.7
315.28903	4.9
327.20230	1.9
386.71780	1.7
415.25424	2.0
459.27979	3.6
641.47961	4.5
658.47516	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	659.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10996	2.6
53.56949	2.7
55.05510	9.7
55.51605	2.8
57.03443	5.5
57.07062	3.9
61.40860	3.0
67.05505	12.6
69.07050	11.1
71.07631	2.9
79.05504	6.6
81.07054	12.6
83.08615	4.4
89.06039	10.3
91.05509	3.5
93.07053	7.4
95.08617	7.2
97.10178	4.6
98.20922	17.6
98.98412	3.6
105.63487	3.1
111.08129	3.8
111.21702	3.1
117.83063	3.4
119.08498	3.1
133.08653	3.9
136.06197	100.0
149.13173	3.6
154.37051	3.1
155.01125	7.1
185.17316	3.0
195.00230	4.8
223.22812	2.9
251.16232	3.8
311.25928	9.0
330.19470	5.0
348.21127	3.7
404.22647	3.7
487.33875	9.5
544.59198	3.3
594.88470	4.0
658.45050	24.7
659.22382	34.3
659.45813	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	658.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01886	0.5
55.05510	5.6
57.03435	7.5
57.07064	0.7
61.02923	2.3
65.03950	0.8
65.23795	0.4
67.05505	17.1
69.07067	4.4
71.03986	0.9
71.05014	0.5
71.08628	1.0
73.02910	0.8
76.81057	0.4
79.05496	19.7
81.03429	0.6
81.07059	100.0
82.07387	0.6
83.04975	0.9
83.08618	2.0
85.02905	2.4
89.60526	0.4
91.03927	0.6
91.05475	5.4
93.07049	13.2
95.04973	1.7
95.08611	14.3
97.02905	0.8
97.06528	0.9
97.10194	0.5
99.08097	5.3
103.03967	0.7
105.07024	3.9
107.08595	7.8
109.06541	1.5
109.10152	5.0
111.08081	0.5
117.07031	1.8
119.08562	3.6
121.10151	7.1
123.11694	2.3
127.07561	10.6
131.08563	3.1
133.08606	0.5
133.10143	3.3
135.11717	3.4
137.13268	0.6
143.07039	0.7
145.08600	5.6
145.10126	2.8
147.11745	2.4
149.13339	2.4
159.11665	2.3
161.13274	1.8
163.14859	1.9
171.11693	0.4
173.13272	1.9
175.14780	0.8
187.14886	0.6
199.09630	2.2
201.11224	54.5
202.11627	0.8
233.22591	0.5
243.21091	3.3
261.22180	11.4
317.24765	1.5
335.25803	42.1
336.25992	0.6
351.26971	0.6
369.28073	0.7
443.31311	0.6
461.32639	14.6
461.74744	0.5
479.33652	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58487	1.0
50.89990	0.8
53.03949	1.7
55.05298	1.2
55.05516	13.1
57.03194	1.1
57.03443	14.4
57.07059	2.5
59.04997	4.3
60.37666	1.1
61.02925	5.4
65.03937	2.5
67.05511	100.0
69.03445	1.9
69.07064	5.8
69.80778	1.7
69.81184	5.4
71.04987	4.4
73.02945	1.5
79.05060	2.2
79.05499	32.3
81.07063	43.0
83.04988	1.2
83.08628	8.5
85.02927	4.8
85.06552	5.3
91.03975	1.6
91.05489	18.4
91.71315	1.0
93.07052	40.7
95.04978	3.1
95.08614	22.2
97.02892	2.4
97.06534	1.6
98.21019	3.3
99.08091	2.0
105.07037	10.2
107.08601	15.4
109.10165	76.5
111.08088	4.1
117.07054	4.8
119.08598	12.1
121.10153	17.7
123.11703	4.0
124.60432	0.9
125.09663	3.1
127.03928	1.7
131.08586	9.5
133.10143	7.2
135.11702	15.2
137.09607	4.1
145.10106	6.0
147.11725	6.0
149.09674	1.2
149.13252	7.3
155.10680	5.3
159.11681	6.0
161.13235	1.2
173.11787	23.4
173.13266	4.8
175.74493	1.0
179.65692	1.1
187.14847	1.7
201.11172	1.8
205.19560	2.8
215.17973	17.1
216.18141	1.4
227.12790	3.1
229.14363	83.2
230.14687	1.6
233.16675	1.4
233.18996	20.7
251.20149	1.0
270.86035	1.0
289.21671	1.8
307.22687	73.7
369.27759	1.2
416.66116	1.1
443.31387	1.2
458.40942	1.1
461.32663	53.0
462.32794	1.6
479.33380	1.3
637.38690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49365	4.0
55.05508	19.8
57.03447	6.3
57.07072	5.6
60.05605	4.3
61.37038	4.1
65.39606	4.7
67.05504	25.8
69.07063	16.6
71.08601	4.5
71.59721	7.6
76.56834	4.8
79.05478	9.2
81.07083	10.6
83.08633	11.9
88.51199	4.9
89.50314	4.6
91.05472	12.5
93.07023	12.7
95.04958	4.9
95.08610	16.9
97.10183	8.1
98.20963	4.7
100.29889	4.8
105.07005	6.8
107.08590	11.1
109.10143	13.6
117.06991	5.5
123.08155	5.6
133.10162	6.3
135.11678	6.6
165.12822	7.8
223.26765	4.9
227.12750	6.7
229.14320	13.0
291.47705	5.7
311.25778	15.9
312.26123	8.3
377.77646	4.9
391.19159	5.2
408.19193	5.2
409.20560	6.4
421.19833	9.8
422.20984	5.4
423.21747	20.2
435.21866	8.2
437.23547	5.1
451.21509	7.1
461.23465	6.8
463.21317	6.0
465.22305	5.9
477.22919	7.7
478.23648	5.1
494.26224	7.7
495.23788	20.2
496.24854	7.5
507.23669	7.2
508.24585	11.5
509.25317	20.1
510.26126	15.2
511.26959	20.2
521.24963	10.3
523.23157	10.0
537.24823	24.1
538.25555	13.1
553.28088	15.6
581.27863	28.8
583.24304	6.0
597.26874	57.6
598.27155	8.6
613.30231	84.3
625.26471	100.0
657.26361	19.4
657.41870	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	656.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
54.19111	2.9
55.01859	3.1
55.05299	3.0
55.05515	35.8
56.21235	2.4
57.03427	12.0
57.06858	2.9
57.07081	26.0
59.05010	2.9
65.03937	4.0
65.70508	2.8
67.05171	4.3
67.05507	64.7
69.07073	51.4
71.08630	13.8
73.02900	3.9
74.09695	3.9
79.05496	21.2
81.07058	43.9
83.04984	5.0
83.08623	42.4
85.06537	5.2
85.10195	4.4
87.04428	2.9
89.06011	4.8
91.05482	24.5
93.07055	23.5
95.04967	4.9
95.08596	20.8
97.06527	6.5
97.10173	30.5
99.02664	5.9
101.02257	10.4
105.07009	17.8
107.08582	24.6
109.06527	3.2
109.10153	34.7
111.08135	4.6
111.11720	5.3
117.07004	4.2
119.08594	15.3
121.10130	9.1
123.11696	5.5
125.09663	7.4
131.08563	10.1
133.10126	8.8
135.08072	4.7
135.11717	6.6
142.57452	2.7
145.10104	5.8
147.11676	7.1
149.09569	2.6
149.13269	5.1
155.10635	2.7
159.11653	6.1
163.11134	3.7
173.11728	10.6
177.12666	2.7
227.12836	14.1
229.14339	35.2
237.22202	5.7
257.19174	4.3
269.17288	13.5
275.20053	21.9
293.20978	3.5
311.25806	100.0
312.26248	5.3
313.27325	4.3
349.23657	17.3
367.24722	10.6
465.35760	35.6
467.37402	4.4
481.35291	4.3
505.38803	42.8
510.16010	3.0
544.16077	5.4
585.45026	26.4
597.26581	4.3
599.22003	3.9
600.22076	8.4
603.46375	22.2
613.30151	6.5
625.26636	10.0
641.66937	2.6
656.28290	11.8
656.39734	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	657.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	4.9
56.81705	2.8
57.03445	3.4
57.07064	3.7
67.05497	8.2
69.07085	7.1
69.34399	26.2
78.53195	2.8
79.05507	6.9
80.06086	3.0
81.07051	8.2
83.08610	6.3
90.64078	2.9
91.05466	6.9
93.07018	4.0
95.08610	4.8
97.10141	4.8
98.20980	12.0
105.07043	4.5
107.08582	5.1
115.36413	2.9
135.77486	2.9
154.75258	3.3
200.27434	2.7
211.09250	3.7
246.14877	2.9
251.15550	3.1
311.25815	7.9
352.18195	3.9
364.17572	3.3
377.74393	3.1
379.19193	5.5
391.19290	6.0
407.17975	4.2
407.22745	4.6
408.19424	3.4
409.20258	5.1
421.19897	4.0
423.21805	21.4
431.18240	3.7
434.20947	3.4
436.22580	4.3
437.23489	3.9
446.20724	4.1
449.23895	3.6
454.19989	4.0
461.23300	11.6
462.21317	3.3
463.21027	3.3
464.21759	4.0
465.22867	6.1
467.24994	3.8
468.25186	3.7
477.23123	6.7
479.24396	6.6
481.22366	4.1
493.22562	4.7
494.26553	5.1
495.23898	13.0
496.24307	5.2
508.24835	17.2
509.25171	12.5
510.26520	13.7
511.27103	14.2
521.25702	3.6
522.26392	4.6
523.23431	5.7
537.25232	25.9
538.25403	9.1
553.27673	8.5
555.25519	4.0
565.24268	4.2
570.28241	5.3
581.27557	27.8
583.25043	7.2
597.27185	55.5
598.27637	6.0
613.30212	64.1
625.16614	5.9
625.26575	100.0
626.26282	4.6
657.28973	7.4
657.40289	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	656.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.4
54.26440	3.9
54.92384	4.5
55.05514	24.6
57.03438	21.5
57.07077	69.9
67.05173	6.6
67.05509	74.2
69.03439	5.3
69.07066	65.3
69.27394	13.3
69.27807	32.8
71.04985	19.2
71.08631	49.0
79.05495	51.7
81.03409	19.6
81.07056	89.9
83.04987	7.3
83.08185	4.2
83.08594	21.6
85.02809	5.2
85.06544	7.7
85.10180	21.5
89.06059	6.7
91.05477	40.8
93.07059	50.7
95.04971	20.5
95.08615	51.3
97.06530	75.5
97.10161	13.9
99.08083	4.9
105.07037	20.8
107.04948	8.7
107.07948	4.5
107.08571	22.3
109.06518	21.9
109.10134	22.6
111.08142	5.2
113.06022	5.1
115.05438	4.8
115.07525	21.9
117.07035	22.7
119.08572	13.8
121.10174	16.0
123.08122	5.4
129.07022	9.7
131.08563	18.7
133.06454	4.9
133.10126	16.2
135.08041	8.9
135.11653	7.2
143.08559	9.8
145.10124	8.9
147.11674	11.3
149.13188	6.4
151.98387	4.3
157.10150	9.5
159.11681	10.4
161.09636	11.1
161.13306	5.1
171.11726	6.1
175.11174	5.9
177.12828	6.4
192.12175	5.1
193.12213	6.3
217.15948	10.6
239.23680	7.5
255.17413	5.7
267.15878	13.1
269.17386	8.4
273.18494	42.8
279.15823	5.7
281.17459	8.7
291.19525	14.0
313.27341	100.0
347.21936	10.5
365.23248	12.2
394.32520	4.6
443.08096	5.3
505.38638	9.6
507.40427	51.9
523.40179	7.7
571.11597	4.9
575.43170	5.9
603.45819	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.9
55.70043	3.1
57.07074	4.7
59.96350	3.7
67.05494	12.8
69.07047	8.3
79.05486	7.2
81.07056	8.0
83.04912	4.0
83.08622	9.3
91.05479	8.5
93.07047	9.5
95.08594	7.8
97.10156	5.0
98.21494	7.4
105.78428	3.6
107.08585	3.5
109.10160	5.9
117.07066	6.1
119.08654	4.5
120.00725	3.7
121.10174	3.7
147.11687	3.9
152.30191	4.1
173.13159	3.5
177.80223	3.8
191.12474	4.5
305.46103	4.0
311.25763	10.3
312.26218	8.5
366.23315	4.9
488.04468	3.9
557.98401	4.4
577.36719	3.7
611.28510	7.5
616.10895	4.5
620.45935	7.0
655.28229	12.0
655.39600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.1
56.25190	0.8
57.03440	4.8
57.07081	34.4
61.02930	8.1
67.05212	0.9
67.05512	8.5
69.03429	1.3
69.07072	7.4
70.46003	1.9
70.46359	1.4
71.08636	28.7
73.02910	2.8
75.04478	2.1
81.03423	0.9
81.07064	12.0
83.08625	10.2
85.02928	8.6
85.10186	16.5
89.66698	0.8
91.03966	6.4
93.07043	0.7
95.08614	19.4
97.02909	4.3
97.10170	5.1
103.07576	1.0
109.10168	8.4
109.37695	0.7
111.11748	1.3
121.45762	0.6
123.11712	3.8
125.13364	0.8
127.03894	2.6
135.39435	0.8
137.13258	2.5
145.04979	3.5
151.14806	1.2
159.71269	0.7
163.06061	5.1
221.22696	1.5
239.23720	28.1
257.24747	3.4
313.27380	100.0
314.27710	2.5
331.28473	14.9
349.21970	1.9
418.18124	0.9
419.18533	1.1
433.20215	1.0
435.21524	0.9
447.22754	1.2
475.21201	2.6
475.32712	2.9
489.22940	1.6
517.22888	1.1
534.22473	1.1
548.23779	1.5
549.24524	1.5
562.21863	2.7
577.16058	1.4
577.24469	21.0
578.25043	1.1
595.25299	1.1
605.23773	1.4
637.26514	9.4
655.27509	12.3
655.43622	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	655.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.1
56.16801	1.6
57.03438	3.2
57.06819	3.2
57.07083	41.9
58.73109	1.8
59.37663	1.6
61.02931	15.3
65.33696	1.7
67.05512	13.4
69.07075	9.6
70.48024	1.6
71.08276	2.9
71.08640	37.8
71.57780	2.8
71.58199	1.6
73.02921	5.7
75.04492	3.5
77.44903	1.8
79.05502	2.5
81.07076	21.6
83.08627	12.5
85.02919	17.7
85.10188	19.3
89.06024	1.8
90.99113	1.8
91.03960	14.6
91.05489	2.4
92.66993	1.5
93.07016	4.8
95.08046	2.1
95.08623	28.2
97.02893	8.3
97.10180	7.0
98.21160	2.4
103.07637	1.7
105.07012	2.6
109.10181	12.4
111.11729	1.9
123.11718	6.2
127.03938	6.1
136.06163	8.7
137.13254	2.5
145.04980	6.9
161.57031	1.7
163.06017	9.5
198.72153	1.9
203.39813	1.9
221.22800	2.2
239.23734	38.5
257.24905	2.9
313.27390	100.0
314.28052	2.7
331.28506	14.5
353.15628	1.9
403.19235	2.2
405.16998	2.5
407.22400	4.1
419.18503	4.3
433.20374	7.4
434.21027	3.9
435.21802	3.8
460.18765	6.0
462.20355	3.0
463.21078	3.2
489.19516	2.0
521.25562	6.2
549.25238	10.3
559.23712	2.5
561.25140	3.3
563.22919	2.7
564.23883	3.0
577.24445	6.4
595.25653	7.4
605.24261	2.5
609.27466	2.4
619.25665	8.5
637.26581	19.5
655.27643	74.7
655.41699	3.9
656.27850	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	655.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44230	15.5
74.59724	1.6
89.60129	1.6
98.21212	7.5
184.07378	2.2
184.10011	2.5
195.09218	2.6
198.11589	2.3
209.10757	4.2
211.08655	3.8
212.09419	3.8
222.07938	2.5
223.08690	7.4
225.10239	4.4
225.60971	1.9
226.11002	2.3
227.11801	55.1
228.09061	5.3
228.12497	4.3
237.06688	3.6
237.10321	7.7
238.11140	2.1
239.07996	3.9
241.09737	19.7
241.13441	6.9
242.14024	2.3
243.14967	17.4
249.71594	2.0
251.08215	9.9
253.06282	1.9
253.09705	5.6
265.09692	17.5
266.10559	7.1
267.07629	10.6
269.12842	29.2
271.10751	4.0
279.07742	8.2
284.11691	6.4
293.09128	11.8
294.09988	29.0
307.07028	10.3
311.10339	7.1
321.08841	6.1
325.11984	8.2
332.71231	2.1
339.09906	6.8
349.07990	3.2
353.11304	100.0
354.11877	3.6
381.10770	48.3
399.12088	6.7
405.17157	1.9
413.13394	6.2
420.19421	2.0
433.20444	5.6
434.21078	4.5
435.22241	3.5
449.20111	2.3
507.23718	5.3
522.22626	2.0
523.23462	2.2
535.23047	3.8
595.25494	20.9
611.28168	2.5
623.24945	39.4
655.27588	76.9
656.27167	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	655.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15976	0.2
60.30361	0.2
64.05634	0.2
69.50172	1.2
73.19796	0.2
75.04499	0.2
79.05458	0.2
81.07027	0.3
81.80843	0.2
98.68566	0.2
115.91232	0.2
136.06165	0.4
197.10794	0.2
248.40150	0.2
299.23944	0.2
377.17563	0.6
379.19220	0.3
390.18643	0.2
391.19376	1.6
392.19983	0.7
393.20880	0.6
404.20401	0.3
405.16354	1.8
405.21292	0.7
406.17389	0.3
406.21906	0.5
407.17654	0.3
407.22412	4.7
408.22955	0.5
418.17902	0.8
419.18143	3.0
419.23523	0.3
420.18704	1.4
421.19934	1.4
422.20895	0.3
432.19504	0.5
433.15530	0.4
433.20630	5.0
434.21185	4.7
435.21802	7.9
436.22699	0.8
445.19861	0.2
446.21240	0.3
447.17892	1.6
447.22263	1.7
448.18774	1.0
448.23300	0.7
449.19241	1.9
451.20764	0.3
460.23001	0.3
461.19604	1.3
461.24222	0.7
462.20364	4.6
463.21219	4.3
465.23029	0.3
474.20950	0.2
475.21170	1.9
476.22232	0.8
477.22958	1.5
478.24445	0.3
479.21127	0.7
479.24765	0.2
481.25955	0.2
489.22934	1.3
490.23798	0.5
492.21408	0.3
493.22113	0.7
493.27026	0.4
494.23132	0.5
495.23883	1.2
505.22104	0.5
506.23172	0.5
507.20300	0.8
507.24155	0.7
508.24847	2.0
509.25650	2.0
521.25677	11.5
522.25397	0.5
535.26898	0.7
540.27008	0.3
547.27258	0.4
549.24982	18.0
550.25293	0.8
553.24432	1.2
563.26654	2.7
564.27240	0.6
567.26312	0.4
577.24377	0.8
580.23926	0.3
581.27551	3.1
595.29230	9.0
596.30084	0.3
607.29144	0.7
609.27069	10.8
610.27393	0.5
623.28320	1.1
627.31915	0.2
655.31250	100.0
656.31592	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	655.276
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
57.07063	0.6
66.82866	0.5
67.05482	0.6
70.31931	1.8
85.02945	0.6
89.80741	0.6
95.08609	1.2
95.55939	0.5
98.20792	0.6
104.26331	0.5
136.06235	1.1
192.85669	0.5
225.10475	0.6
225.72182	0.5
239.11810	0.6
253.08134	0.5
256.90829	0.6
269.73520	0.6
313.27411	1.4
347.77411	0.6
376.17377	0.8
377.17828	1.4
378.18314	0.6
378.93188	0.5
389.17862	0.6
391.19394	2.7
392.20126	1.4
393.20889	1.7
405.16556	3.9
405.21570	1.1
406.17361	0.7
407.22443	4.3
418.18042	1.7
419.18375	6.4
420.19437	2.3
421.20276	1.8
431.18729	1.0
432.19864	0.8
433.20413	10.9
434.21118	6.1
435.21878	7.7
437.19861	0.9
439.21954	0.6
446.21393	0.7
447.17358	1.1
447.22549	1.1
449.19785	1.1
461.19705	2.2
462.20273	3.3
463.21268	4.0
465.19257	1.7
475.21246	1.8
479.20712	0.8
491.20718	1.5
493.22574	1.2
507.21280	0.5
509.22159	0.9
517.22119	1.1
520.24377	1.3
521.25659	9.2
549.24969	11.5
552.23804	0.8
565.24487	1.4
567.44507	0.6
577.24426	8.6
580.26953	2.0
581.27429	1.6
595.25452	6.0
605.23376	1.0
609.27051	3.2
623.25159	0.9
637.26685	7.3
655.27612	100.0
656.28339	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	655.2761
Annotation	Cryptophycin 38
Peak:m/z	Relative Intensity
51.17273	0.3
51.96062	0.4
56.21019	0.4
60.58889	0.3
67.05497	0.8
69.42352	2.6
79.05502	0.7
80.27221	0.3
81.07042	0.7
82.37418	0.3
91.05469	0.8
93.07050	0.5
97.10136	0.3
98.21158	1.7
122.60406	0.3
152.00513	0.3
186.72681	0.3
191.14850	0.3
237.10312	0.3
237.72749	0.4
251.11569	0.4
335.25772	0.7
377.17819	1.1
378.18735	0.6
379.19382	1.8
381.20770	0.4
391.15494	1.2
391.19382	1.4
392.15900	0.6
392.20346	0.6
393.16556	0.5
393.20847	3.9
394.21439	0.7
404.20563	0.4
405.16541	2.5
405.21545	0.8
406.17984	1.3
407.18643	3.1
409.20108	0.5
417.16959	0.5
418.17847	0.8
419.18765	3.2
420.19583	2.9
421.20404	5.3
422.21237	1.1
423.21826	0.5
429.17520	0.8
432.19824	0.6
433.21127	1.8
434.16464	0.5
434.21600	0.8
435.17847	4.8
437.19781	1.0
444.19800	0.5
445.20834	0.6
447.18170	1.4
448.19009	1.4
449.19571	5.3
450.20621	1.9
461.19772	1.5
462.20438	1.2
463.17026	5.5
473.19662	0.7
475.21152	1.2
477.19473	1.5
478.19824	1.9
479.20721	1.1
480.21686	0.7
481.22717	1.2
491.20660	2.0
492.21222	0.4
493.22620	0.7
495.19733	0.5
503.21066	0.7
504.21320	0.6
507.24390	6.2
508.21811	0.8
509.21811	1.1
509.25745	1.2
521.22125	1.3
526.74695	0.4
535.23596	4.6
536.24219	0.5
537.25171	1.2
549.25732	2.2
559.23712	1.4
563.22681	0.5
564.23944	0.7
567.26074	6.2
577.24445	3.6
595.25482	9.7
596.26263	0.9
623.24805	0.6
627.28394	1.8
639.73303	0.4
655.27631	100.0
656.27747	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	655.2759
Annotation	Esulatin I
Peak:m/z	Relative Intensity
53.03936	1.8
55.05489	7.1
57.07073	9.4
60.66438	1.3
67.23479	1.5
70.68021	1.4
71.23739	2.5
83.04979	35.1
95.08587	2.3
98.98431	2.1
101.50626	1.9
121.02585	1.7
121.10014	1.8
128.06184	2.0
129.07004	3.5
147.07996	4.1
147.11665	4.0
155.28758	1.8
157.07645	1.8
175.01552	18.0
181.02606	29.8
188.10596	1.6
209.10576	1.8
223.12430	2.6
227.04677	12.7
237.13748	4.0
238.14616	3.6
239.15157	1.7
251.15666	1.8
257.05801	3.6
259.17017	1.7
261.13873	2.6
263.15405	1.9
283.10959	3.1
313.11966	21.0
331.12863	2.0
338.15970	1.8
347.17163	1.8
358.54639	1.7
361.14954	1.7
364.16974	1.7
369.18124	6.6
377.17392	2.6
391.18979	2.1
393.20642	2.1
403.19116	1.6
405.20947	2.3
433.16333	2.0
435.21713	2.9
439.21341	2.1
448.18851	2.8
449.19437	5.5
463.21539	10.7
469.26221	2.1
476.21243	1.7
477.19055	5.9
479.24234	3.2
481.22226	2.3
487.12494	2.4
493.22891	2.5
497.25278	2.4
501.22546	5.9
502.23450	1.8
507.24066	2.5
514.25580	4.8
521.21716	2.8
525.24658	5.4
529.28088	3.2
533.25037	6.6
535.23358	7.3
536.23358	2.6
543.19183	15.4
550.25244	5.0
551.26135	4.7
553.23889	4.8
565.20111	2.8
565.28082	36.6
579.25488	3.8
581.23749	4.1
583.28540	5.5
585.27087	16.0
593.27222	5.0
595.25409	32.7
599.16620	2.6
599.25311	34.9
600.25055	2.7
609.26801	14.5
611.29059	2.8
613.17377	2.2
613.26544	33.5
623.24792	8.8
637.25830	5.2
655.27057	100.0
656.27368	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	655.2757
Annotation	Karajinone A
Peak:m/z	Relative Intensity
55.05510	3.3
57.07078	4.3
67.05505	0.9
69.07074	0.6
69.94898	1.3
69.95316	1.8
77.29738	0.5
79.05486	1.0
83.04987	14.0
91.05475	1.5
94.87537	0.6
98.98467	1.0
105.07040	0.8
108.08122	0.7
112.25574	0.6
113.81016	0.6
121.27605	0.5
128.06172	1.2
129.07010	2.1
131.08565	0.6
147.08057	1.6
147.11693	2.1
175.01556	6.3
181.02615	10.5
209.10808	1.3
209.66632	0.6
210.11649	0.8
212.91592	0.6
221.10724	1.0
222.11530	1.1
223.12386	2.5
224.13133	1.7
225.13901	2.1
226.14653	0.6
227.04729	3.2
234.11447	0.8
235.12273	2.1
236.13159	2.2
237.10240	0.8
237.13861	5.1
238.14575	4.1
239.15405	2.1
247.12482	1.3
249.13982	2.1
251.15396	5.0
252.16212	1.2
253.17026	3.7
257.05753	1.2
261.13950	5.9
262.14557	1.9
263.11505	0.9
264.12579	0.8
267.14911	0.7
275.15543	0.9
279.14972	2.4
283.10995	1.4
299.39087	0.6
300.15475	0.6
313.11978	6.8
313.15369	0.8
330.19901	0.8
350.16235	0.8
351.16367	1.2
352.17691	2.2
353.17813	2.2
354.19565	0.9
362.16266	0.6
363.16495	1.2
364.17737	1.4
365.17737	1.5
366.19379	1.5
367.19302	2.9
368.20505	0.9
369.18149	3.0
377.17792	3.6
378.19128	1.1
379.19205	2.2
380.20596	0.9
381.16699	0.9
381.20847	1.8
382.21790	1.1
383.22458	1.0
391.19232	2.2
392.16071	0.9
393.21201	1.3
394.17728	1.1
395.18561	4.3
396.19788	0.8
397.20175	0.6
400.20392	0.7
404.16647	0.6
405.17148	2.3
406.18045	1.8
407.18481	2.8
409.20395	1.1
410.20926	1.4
411.22061	1.4
419.18353	1.3
420.20114	1.4
421.20471	2.7
422.20975	2.5
423.22287	1.0
425.19690	1.3
427.21332	1.1
433.20425	1.2
435.17700	3.4
437.19785	2.6
438.20639	2.1
439.21579	2.2
440.21790	0.6
441.22662	0.8
448.19043	2.3
449.19601	3.3
450.20642	2.1
451.21585	1.4
452.22916	1.1
453.23032	1.3
454.23746	1.1
455.20468	0.6
462.21185	0.7
463.21671	0.7
465.18716	6.4
466.20160	1.2
467.20453	1.3
469.26019	2.6
476.18460	2.6
477.18976	1.2
479.25061	2.7
480.21936	1.8
481.22388	2.2
482.23236	2.4
483.20667	2.6
493.22794	1.1
497.25827	6.1
507.23965	4.1
508.21814	2.6
509.21878	1.6
510.22632	3.0
514.25635	4.4
521.21991	1.3
525.25269	8.1
526.23486	0.8
529.28131	6.3
535.23401	3.2
536.23151	1.1
539.25977	1.0
541.28125	1.0
542.25195	3.1
543.19067	6.0
543.26526	0.9
552.23822	1.3
553.24420	5.6
557.27612	2.5
563.22583	3.1
565.28040	1.9
567.26263	4.2
569.27338	2.4
570.24432	1.1
581.23724	4.7
585.27112	19.1
586.27246	0.9
595.25488	99.5
596.25775	5.0
599.25403	16.1
613.26556	100.0
614.26794	3.9
623.24792	1.3
627.27600	1.1
655.29926	12.8
655.41656	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	654.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.01862	7.6
55.05515	70.4
57.03445	23.9
57.07082	20.8
60.78682	4.6
67.05511	58.8
69.06718	6.8
69.07070	100.0
70.06584	13.2
71.04984	20.2
71.08617	16.0
73.02908	7.3
79.05504	51.0
80.14811	4.0
81.03414	15.7
81.07059	57.2
83.04977	16.3
83.08620	59.6
85.10130	5.2
91.05494	51.7
93.07053	62.3
95.04969	22.2
95.08608	38.0
97.06536	91.7
97.10159	29.8
98.20795	13.7
98.21493	11.2
99.08093	5.9
105.07043	26.7
107.04961	8.1
107.08583	23.4
109.06509	18.7
109.10133	13.9
111.08076	10.4
115.07577	40.3
116.07098	13.9
117.07011	19.1
119.08596	21.5
121.06508	6.0
121.10159	16.2
129.07011	7.2
131.08560	20.9
133.06487	5.6
133.10095	19.4
135.08018	10.9
135.11681	7.0
145.10109	8.7
147.11726	9.1
149.09583	7.6
149.13197	10.2
159.11678	13.4
161.09648	7.2
175.11136	5.4
177.12823	5.4
195.13838	5.0
217.15956	8.8
230.71680	4.1
237.22144	10.7
240.66800	4.3
245.15211	4.5
245.19003	8.4
245.21689	4.2
246.95592	5.0
251.16504	4.8
253.14392	9.7
269.17325	5.0
273.18542	25.1
291.19495	15.4
297.16962	7.8
311.22180	5.4
311.25772	85.1
347.22015	12.6
365.23074	8.6
492.21136	5.0
505.38925	66.5
533.37903	9.0
533.92963	4.9
576.26721	7.4
601.44238	17.9
636.28955	27.5
654.29718	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	654.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.05520	2.4
56.05043	1.0
57.03455	1.2
62.85807	0.4
63.25298	0.5
67.05511	5.9
69.07080	2.3
69.58823	3.6
70.06609	0.7
79.05501	4.7
81.07059	6.0
82.06596	2.1
83.08619	0.8
88.19537	0.5
91.05496	2.3
93.05796	0.7
93.07058	5.2
94.06542	0.7
95.08602	3.9
96.08134	1.0
98.09719	0.5
98.98503	0.6
105.07039	2.4
106.06580	2.2
107.07343	6.0
107.08562	3.7
108.08118	6.7
109.10198	1.3
110.09694	1.2
119.08579	1.2
120.08173	0.8
121.08918	1.1
121.10162	1.9
122.09697	2.2
123.18916	0.5
124.11253	3.2
125.00044	2.0
132.08055	0.5
133.10164	0.8
134.09662	7.5
135.10445	33.4
135.11664	3.3
136.06184	4.3
136.11255	2.9
137.12018	0.8
148.11226	1.4
149.12077	3.1
149.13133	0.7
150.12779	4.3
152.14337	4.6
167.09425	3.1
176.14345	1.5
178.15912	52.2
179.16299	0.9
180.17479	14.1
190.08650	0.6
196.17065	2.5
222.08876	2.0
222.18483	5.9
240.19696	1.7
276.13599	79.3
277.13895	1.5
278.15161	2.1
320.16196	100.0
321.16629	2.1
330.19354	0.9
335.25836	5.6
394.20074	0.6
479.77002	0.5
592.37451	0.6
610.38715	3.5
636.39746	1.7
654.30701	1.1
654.41968	10.0
655.27765	2.9
655.42450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25153	1.4
53.03928	2.8
54.49323	1.2
55.05504	5.0
55.32733	1.2
56.05030	6.0
56.64800	1.5
58.64755	1.1
67.05508	9.4
69.03416	2.1
69.07068	11.7
70.06591	30.1
71.04989	1.5
71.47254	2.5
72.08152	3.4
74.06068	1.6
75.94596	1.2
79.05518	8.5
81.03410	2.4
81.07063	31.6
82.33729	1.2
83.06104	37.8
83.08617	5.4
84.04505	75.5
84.08129	2.7
85.02895	3.9
86.09702	11.0
91.05471	4.0
93.07039	15.1
94.07282	1.2
95.04984	2.2
95.08609	37.8
97.06502	3.1
97.10161	3.3
99.08105	1.4
101.07131	21.6
102.05556	9.3
105.07047	6.9
107.08591	17.3
109.10160	19.5
111.08051	2.1
119.08582	6.0
120.08080	6.1
121.10155	14.1
123.11714	11.5
125.09667	2.6
127.08680	3.5
129.05608	2.7
129.06599	85.6
130.05003	100.0
131.05002	1.5
131.08517	2.0
133.10114	3.7
135.11688	7.5
137.09558	2.1
137.13268	2.9
139.11159	3.5
141.06642	2.2
145.10103	2.5
147.07648	71.2
147.11688	3.3
149.13261	8.9
151.11223	1.8
151.14783	4.8
152.05676	1.5
155.08130	4.1
159.11678	3.8
161.13237	3.5
163.14809	4.1
173.13257	2.5
189.16438	1.5
191.17932	4.9
193.15866	1.4
201.16344	1.5
207.11459	1.3
209.12888	1.5
215.17934	1.4
221.44681	1.5
229.15459	13.8
238.08600	1.9
259.24100	1.5
271.24203	2.9
277.25256	2.3
285.18069	6.2
286.17529	3.6
289.25177	12.5
290.25787	1.5
315.19095	1.8
324.29214	1.8
355.25641	1.4
365.24319	4.7
405.30951	2.7
417.30893	3.6
418.29504	8.2
423.32123	52.8
424.31998	1.8
435.32220	45.1
436.30597	3.0
441.33173	4.2
453.33304	32.1
471.34387	14.4
565.33972	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.6
55.01876	11.8
55.05511	26.2
57.03450	25.2
57.07063	5.8
67.05509	88.0
69.07071	57.8
70.06619	28.0
71.05003	25.6
79.05502	100.0
81.03419	25.9
81.07058	98.7
83.04984	8.8
83.08604	14.0
88.71698	5.5
91.05474	73.0
93.07053	85.2
95.04971	26.9
95.08614	55.0
97.06532	72.7
98.20946	8.4
99.08101	7.1
100.86899	5.7
105.07024	45.8
107.04915	10.6
107.08599	47.9
109.06529	24.0
109.10159	19.7
111.08084	6.0
112.98681	4.8
113.05993	8.9
115.05470	7.0
115.07560	24.7
117.07029	18.9
117.56859	6.2
119.05070	5.1
119.08588	31.5
121.06532	5.9
121.10156	41.2
123.08115	8.6
123.11742	8.1
128.06229	7.2
129.06993	21.5
130.19324	4.9
131.06963	5.2
131.08572	25.7
133.06496	8.9
133.10115	23.6
135.08058	16.0
135.11702	18.6
137.09633	8.4
139.07587	5.6
141.06993	7.6
143.08597	11.5
145.10132	20.3
147.08095	13.9
147.11653	10.1
149.09679	27.5
151.07494	5.3
155.08493	7.5
157.10083	12.3
159.08051	7.8
159.11649	9.3
161.09644	11.7
165.09189	9.5
167.10716	4.8
171.11784	8.8
173.13307	9.5
175.11211	12.6
185.13176	6.8
189.12735	8.0
199.14822	15.8
199.20535	5.5
217.15869	5.6
224.07104	4.8
227.14320	9.5
241.14236	5.9
245.15417	28.6
263.16412	6.1
307.22754	11.5
319.19147	10.1
335.25784	68.7
501.35699	15.3
566.92920	6.5
611.32288	6.4
650.42841	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.3
55.05518	13.4
55.09467	2.0
57.03424	3.2
57.07061	3.5
59.20859	1.9
64.47805	1.9
65.03919	3.8
67.05177	2.8
67.05508	37.9
69.03425	3.9
69.07067	13.9
69.30341	20.5
71.04979	4.7
71.08644	2.2
72.92487	2.1
79.05493	21.5
79.46868	2.1
81.07063	29.0
83.04969	2.6
83.08606	6.6
85.06543	2.4
91.05486	13.3
93.07036	28.9
95.04958	14.5
95.08604	23.3
97.02869	3.6
97.06499	5.0
98.21102	10.9
99.01878	2.0
103.48472	1.9
105.07037	16.3
107.08574	14.6
109.06487	2.4
109.10162	8.4
111.04442	5.3
111.08022	1.8
117.07017	4.5
119.08573	14.5
121.06485	4.1
121.10113	10.7
123.04426	100.0
123.11687	2.8
131.08580	9.3
133.06485	4.4
133.10141	25.0
135.08044	8.3
135.11659	11.3
137.06035	4.9
137.13277	3.6
143.08452	2.6
145.10039	3.7
147.08043	15.4
147.11697	13.9
149.09590	6.4
149.13268	3.7
153.09109	2.1
157.10126	4.9
159.11676	5.4
161.09612	14.7
161.13219	2.9
165.09103	3.5
175.11115	6.1
175.14917	2.3
179.10606	3.0
179.14278	2.1
189.16403	22.1
199.14832	5.2
207.17514	2.2
217.15912	13.3
235.16888	8.1
263.16415	33.8
267.71289	2.1
281.17477	56.9
283.18939	2.3
335.25803	55.1
337.20090	31.5
355.21191	15.0
377.32764	2.0
381.90979	2.0
597.41516	43.9
615.42090	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	650.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48869	3.8
53.03950	7.7
55.01861	5.4
55.05516	29.3
57.03429	12.6
65.03949	4.5
67.05506	73.0
69.03408	4.0
69.07072	55.1
71.04998	21.4
79.05492	100.0
81.03413	15.1
81.07056	75.6
83.04978	6.8
83.08609	10.4
85.06531	4.3
91.05483	57.7
93.07052	83.9
95.04984	15.9
95.08608	46.1
97.06541	71.6
98.20648	5.9
98.21228	17.0
99.08088	5.0
105.07042	32.6
107.04967	6.5
107.08598	30.4
109.06534	16.6
109.10181	15.9
109.10837	3.1
111.08083	4.3
115.07549	23.7
117.07011	20.7
119.08596	33.9
121.06527	7.1
121.10152	32.7
123.08077	10.2
125.09638	3.4
127.52599	3.2
129.07024	10.0
131.08611	17.6
133.10167	19.3
135.08057	8.7
135.11699	14.3
137.09641	9.7
143.08536	5.2
145.10121	15.4
147.08041	9.0
147.11681	13.8
149.13292	9.6
151.11157	5.9
157.10092	9.0
159.11687	11.9
161.09607	7.4
161.13329	5.7
163.11206	4.8
165.09145	6.7
168.46104	3.6
171.11629	4.2
173.13240	7.9
175.11195	6.0
195.13724	3.8
199.14824	5.4
217.15869	11.6
245.15353	5.5
269.17557	7.9
273.18524	12.0
291.19662	7.8
307.22641	43.5
335.25864	16.7
347.21939	3.8
365.23325	4.9
501.35806	22.9
517.35022	7.4
597.41620	6.1
615.42200	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	650.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.4
55.01870	4.9
55.05513	26.3
57.03446	17.9
65.03949	4.2
66.86449	2.8
67.05164	5.3
67.05508	75.2
69.07073	43.7
70.01561	13.4
71.05004	15.6
79.05497	100.0
79.05962	6.0
81.03423	10.7
81.07060	59.9
83.04975	12.2
83.08621	12.0
85.83189	2.7
86.13607	2.8
91.05484	56.0
93.07049	81.5
95.04980	19.4
95.08614	46.6
97.06535	72.8
97.10181	3.7
98.21069	6.7
99.05579	2.6
99.08092	8.4
105.07021	27.5
107.04956	8.2
107.08578	28.6
109.06499	10.5
109.10161	14.0
111.08092	6.0
115.07584	22.9
117.07013	16.6
119.08570	23.0
121.06478	5.7
121.10151	38.4
123.08083	7.3
123.11716	4.5
129.07004	7.0
131.08574	28.3
133.10144	19.5
135.08066	6.3
135.11710	17.3
135.56476	2.8
140.07379	2.7
143.08514	7.7
145.10127	15.2
147.08061	5.6
147.11665	8.8
149.09634	6.5
149.13277	7.0
151.11118	2.8
157.10129	8.5
159.11679	13.7
161.09583	5.2
161.13313	5.9
171.11647	7.4
173.09711	3.0
173.13272	4.9
175.11203	3.1
181.12321	2.9
195.13884	4.3
211.14746	2.8
215.18019	5.4
217.15762	5.2
245.19029	5.1
253.14342	3.4
269.17496	6.6
273.18549	17.0
273.21674	2.9
291.19592	7.8
307.22690	51.5
365.23300	4.5
379.54041	3.1
501.35776	31.2
501.42676	4.3
597.41504	5.7
610.01257	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	649.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.6
56.05036	7.3
59.43424	1.3
67.05502	13.7
69.03423	3.0
69.07069	14.6
69.89639	2.8
69.90047	5.6
70.06574	6.2
71.04975	3.7
72.08153	3.2
73.02915	1.7
79.05476	10.6
81.03381	1.6
81.07059	41.7
83.06103	38.1
83.08639	7.0
84.04507	91.3
85.02901	9.0
86.09698	6.1
91.05484	8.2
93.07046	27.5
95.04966	2.0
95.08048	2.0
95.08609	28.9
97.02874	2.0
97.06519	4.3
97.10150	7.1
98.21290	2.6
99.57715	1.4
101.07143	24.8
102.05547	13.1
105.07024	21.9
107.08594	25.5
109.06536	3.1
109.10157	23.5
111.08054	3.8
111.11674	2.8
117.07045	1.6
119.08588	21.3
121.10136	18.3
123.08030	1.7
123.11710	12.5
125.09616	3.5
129.06602	94.6
130.05000	100.0
130.06538	3.2
131.08548	3.1
133.10138	14.7
135.11711	13.4
137.13257	3.9
139.11220	3.1
145.10100	4.9
147.07645	78.2
147.11673	15.6
149.09677	1.4
149.13260	20.0
149.14391	2.5
151.11198	3.5
151.14839	1.7
159.11694	6.3
161.13272	6.2
163.11134	1.6
163.14790	5.1
165.12773	2.9
175.14810	2.7
177.16382	2.5
189.05423	3.5
189.16415	4.1
195.17464	1.8
201.83383	1.4
220.09645	3.1
259.24115	3.6
267.65652	1.5
269.22546	1.8
270.40417	1.5
275.23679	2.8
277.25235	3.3
287.23694	6.0
293.24899	2.7
305.24689	17.6
322.27350	3.9
405.30414	1.6
406.29431	3.4
415.29584	1.6
416.28079	3.5
421.30469	6.3
433.30649	15.7
433.36227	2.3
434.28882	11.3
439.31674	20.8
448.54892	1.7
451.31625	49.0
452.30325	2.7
469.32761	18.0
607.30713	1.5
626.43781	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68443	5.3
53.03939	7.1
55.05505	20.5
65.03927	8.0
67.05506	29.0
69.03431	10.3
69.07053	16.9
71.04980	6.9
71.57487	5.6
79.05499	40.4
81.03411	6.3
81.07059	63.6
83.04976	22.7
83.08618	12.4
91.05481	65.5
93.07037	77.8
95.04970	86.5
95.08620	35.4
97.02885	4.7
97.06528	17.0
98.21120	6.8
101.32647	5.0
105.06369	10.2
105.07026	100.0
105.07706	3.4
107.04917	6.6
107.08598	55.1
107.09343	6.5
109.06528	38.6
109.10143	23.1
113.05976	5.1
115.05472	5.3
117.07011	21.0
119.08572	76.7
121.06525	26.1
121.10136	54.9
123.08067	19.6
123.11646	5.6
125.05994	6.3
125.09650	14.3
128.06203	14.1
129.06998	30.7
130.06622	5.4
130.07770	9.2
131.08566	43.5
133.10124	40.3
135.08054	20.0
135.11707	6.7
135.33653	5.1
137.09599	7.3
141.07039	10.4
142.07747	33.9
143.08542	57.5
144.09276	11.1
145.10117	68.2
147.08038	13.6
147.11673	22.6
149.09625	19.7
155.08508	21.4
156.09349	26.4
157.10147	58.8
158.10822	7.9
159.08066	20.7
159.11707	41.8
160.08914	5.8
161.09619	19.9
163.11221	6.3
165.06955	10.7
167.08591	16.5
167.10661	54.3
168.09314	6.9
169.10098	31.4
170.10934	8.9
171.08023	6.4
171.11711	27.3
173.09604	13.8
173.13269	18.9
175.11162	18.5
179.08553	15.1
180.09355	7.4
181.10101	22.2
182.10878	9.8
182.48364	4.7
183.11699	29.9
184.12454	6.6
185.09668	8.5
185.13295	15.8
187.11211	11.6
187.79047	4.7
191.14297	7.4
192.09369	8.2
193.10121	16.2
194.10892	11.3
195.11667	27.0
197.13202	35.0
199.11090	7.3
199.14767	12.6
201.12640	7.5
203.14386	6.6
205.10097	6.1
206.10864	11.1
207.11693	28.0
207.13614	7.1
208.12469	10.7
209.09642	5.6
209.13293	32.4
211.11124	8.2
211.14807	17.3
213.12764	7.1
215.14362	8.2
218.16669	9.3
219.11633	8.9
220.01103	4.9
220.12485	11.1
221.13234	21.8
221.15216	5.7
222.13976	7.1
223.14769	12.5
225.12701	8.2
227.14288	13.7
231.11722	6.5
233.13239	9.6
233.15376	26.7
235.14845	12.2
237.16353	6.0
241.15977	6.0
243.11777	7.1
246.16243	6.2
247.14632	8.3
249.16495	10.8
251.17920	8.8
255.17516	6.9
259.14804	7.9
261.16223	9.4
263.17944	15.8
264.18463	5.1
265.19559	7.7
269.18991	9.7
275.17941	6.0
277.19556	10.0
281.18985	6.2
282.20023	5.1
285.18607	8.5
289.19220	6.2
295.20496	7.1
311.35574	5.0
328.20251	6.5
363.74261	5.5
373.25214	32.6
391.26227	44.3
497.70731	5.5
650.41449	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	649.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
55.01872	3.4
55.05504	16.3
57.03428	6.8
57.07079	8.5
58.80270	2.7
59.55780	2.7
61.02928	23.4
65.03920	5.9
67.05506	89.0
69.03427	4.2
69.07060	17.0
70.06593	4.4
70.76528	5.2
71.04989	6.5
73.02925	12.1
79.05051	5.8
79.05497	81.5
81.03415	5.0
81.07060	100.0
83.04987	4.1
83.08625	8.3
85.02910	27.3
85.06544	10.6
89.81349	3.2
91.03960	30.8
91.05477	41.4
93.07047	97.4
95.04972	8.7
95.08032	5.7
95.08609	59.7
97.02892	13.4
97.06551	6.6
97.10136	3.6
99.04478	3.0
99.08110	7.1
105.07039	31.9
107.08601	57.2
109.06491	6.5
109.10158	36.2
111.08099	8.1
113.09620	3.1
117.07034	18.1
119.08584	26.0
121.06552	3.1
121.10147	53.8
123.08037	4.0
123.11736	24.7
125.09644	5.5
127.03908	8.1
128.87758	2.8
131.08585	32.2
133.10126	35.9
135.08069	4.8
135.11700	63.1
137.09624	6.7
137.13286	5.1
139.11205	3.7
141.60233	2.9
145.04979	12.8
145.10136	30.8
147.11716	19.9
149.09668	7.0
149.13264	34.8
151.07524	4.9
151.11191	5.3
157.10176	2.7
159.11688	27.1
161.13287	8.0
163.06042	10.8
163.11223	3.8
167.08723	3.3
173.13287	26.8
177.12730	7.4
187.14835	7.1
196.52261	3.0
205.19534	10.6
215.17966	86.5
233.19011	93.0
251.20042	4.6
307.22604	30.8
325.23700	21.7
469.28122	9.0
538.12024	3.9
649.40302	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68810	1.4
53.03944	4.3
55.05517	14.5
56.51528	1.7
57.03428	6.4
57.07071	7.6
58.14059	1.8
61.02932	34.0
65.03929	2.8
67.05508	66.9
69.03424	4.5
69.07075	8.9
71.04983	7.3
71.57452	1.8
73.02921	14.2
79.05495	63.6
81.03412	3.4
81.07061	74.1
83.04951	2.3
83.08614	7.7
85.02911	39.6
85.06560	9.6
90.82463	1.8
91.03962	32.9
91.05479	37.0
93.07049	83.2
95.04967	6.9
95.08611	54.6
97.02909	18.0
97.06528	5.4
97.10143	2.9
98.21040	2.0
99.04478	3.3
99.08088	8.9
99.85841	1.9
104.36879	1.6
105.07027	27.0
107.08601	40.8
109.02891	2.4
109.06531	4.0
109.10159	34.9
111.08057	3.0
113.09612	5.2
115.05453	2.4
117.07008	14.3
119.08575	22.9
121.10152	61.3
121.11021	3.2
123.08074	3.2
123.11716	22.2
125.09646	5.4
127.03922	12.5
131.08578	31.3
133.10143	27.8
135.08089	4.0
135.11702	69.1
137.09552	4.4
137.13266	5.1
139.11201	2.9
143.08583	2.7
144.09360	2.0
145.04965	16.4
145.10141	26.7
147.08086	2.3
147.11668	22.1
149.09662	4.3
149.13264	32.0
151.07579	2.6
151.11186	4.0
159.11711	26.8
161.09471	2.2
161.13246	7.4
163.06024	24.3
163.11218	4.1
165.09175	1.8
171.11740	2.5
173.13275	20.1
175.14847	5.6
177.12827	2.9
177.43774	1.8
187.14816	7.6
205.19528	11.7
215.17967	95.0
233.19014	100.0
235.20607	2.7
251.20195	2.8
274.27322	8.8
307.22623	15.1
325.23752	21.6
328.62488	1.7
414.64609	1.9
469.27451	2.6
649.40637	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	649.302
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
52.13625	1.0
58.80273	0.9
67.05483	1.9
67.07344	0.9
69.07092	1.2
79.05526	1.5
81.07066	1.5
91.05487	1.3
93.07056	1.7
95.08604	1.1
98.21113	6.3
101.77383	1.0
107.08588	1.6
107.43630	1.1
116.21735	1.0
150.01353	1.1
208.45607	1.0
225.96593	1.2
226.01344	1.1
312.99850	1.1
417.20844	2.9
419.22629	2.0
429.16794	1.6
431.18707	4.4
432.18793	1.7
433.23859	3.6
443.18253	1.3
444.19543	3.0
445.20084	7.4
459.22037	6.9
460.22629	4.6
461.23645	4.5
473.19080	7.4
487.20926	2.8
502.23605	2.6
503.24658	6.2
505.26752	1.3
519.23529	1.6
547.27319	11.4
548.27405	1.3
561.25226	3.8
574.26154	1.7
589.28217	21.9
607.29022	3.3
649.30206	100.0
650.30670	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	647.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
55.05503	2.3
56.05023	3.0
57.10332	1.4
65.79611	1.7
67.05502	3.7
70.06596	9.3
71.04989	2.1
72.08158	4.0
73.61652	1.6
74.00658	3.1
76.03999	4.1
79.05501	4.3
80.05003	3.0
81.07059	2.9
83.06094	3.3
83.08635	1.8
84.04508	11.5
84.08119	4.0
85.02913	2.5
85.04028	6.6
86.09706	4.2
89.75052	1.5
91.70383	1.8
92.01698	2.2
93.07027	1.8
94.06558	4.0
95.08602	7.0
97.01113	2.0
101.04247	4.9
104.84210	1.5
106.06556	2.2
112.02190	12.4
113.03485	1.7
120.08128	3.5
123.02696	2.3
123.08078	2.4
124.02164	14.7
126.03734	22.8
129.10266	1.6
130.05005	10.2
130.06535	2.3
131.04538	5.7
136.02158	4.2
136.07587	2.0
138.03732	2.7
138.05479	13.5
142.03206	9.8
145.06137	1.8
147.02608	1.7
150.03767	4.4
152.01630	2.9
161.19464	1.6
164.07094	2.8
170.02721	40.2
177.03279	14.5
178.03198	2.6
181.06111	2.2
182.02707	3.2
184.04323	1.7
185.03714	7.5
187.05768	1.9
190.06885	2.2
192.08441	1.6
194.02736	5.4
196.04260	5.6
200.10704	1.9
208.11523	4.0
218.09900	2.4
218.11824	3.5
222.02219	3.9
222.14877	2.3
228.10179	2.5
229.11105	2.7
231.04396	20.7
234.09515	8.8
236.07368	3.3
236.11011	21.6
250.14363	2.8
252.10562	12.3
254.12097	23.4
260.10901	2.6
262.08945	9.1
264.10568	2.6
278.11942	2.2
280.10040	23.6
282.11600	30.3
288.06500	2.0
298.11105	2.8
300.12817	2.6
302.22125	1.8
306.11591	14.3
323.14258	8.2
334.11108	10.3
336.12625	2.8
340.17554	7.5
342.19092	4.6
351.13589	3.0
354.13660	6.3
372.14749	100.0
373.15143	1.7
380.15057	2.3
389.15186	1.8
398.16422	13.0
408.14746	3.1
415.18954	6.8
425.17499	3.0
426.15631	2.4
443.18597	6.3
452.18863	1.9
500.20547	2.9
518.14282	3.2
518.21674	49.5
535.33508	1.7
572.22656	16.9
579.36267	1.8
629.24719	2.2
647.25812	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.3
57.03430	1.1
57.07078	35.0
67.05498	4.3
69.07066	4.5
69.93861	2.4
69.94280	3.5
71.08634	29.8
73.06569	9.6
73.15588	0.9
78.51264	0.9
79.05499	2.2
81.07053	4.0
83.08617	3.1
85.10183	18.3
87.04463	9.5
89.06035	100.0
90.87637	1.0
91.05470	3.3
91.07603	1.1
93.07043	2.7
95.04956	1.7
95.08609	2.8
97.10173	2.6
98.20908	2.0
98.21442	1.0
99.11725	3.3
105.07019	1.9
107.07060	3.9
107.08580	2.7
109.10184	1.7
109.67217	1.0
111.11725	2.7
113.13278	3.0
117.09103	5.7
119.08581	3.2
121.10124	2.2
123.11773	1.1
127.14835	1.9
128.03331	1.1
130.08647	3.5
131.07050	3.2
131.08565	1.7
133.08609	55.0
135.10158	1.7
135.11702	1.2
143.08549	1.6
145.10124	2.5
157.10175	1.3
159.11682	1.0
161.11673	1.5
161.33109	0.9
169.19543	4.5
173.13275	1.2
175.09648	1.4
177.11227	24.8
213.22086	2.2
221.13719	4.3
239.14905	1.4
257.24744	7.6
283.17557	2.3
301.27283	4.0
310.31732	0.9
371.22601	1.2
415.25549	1.0
444.88525	1.0
459.28085	4.8
627.46539	4.3
644.48834	2.7
645.28998	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	646.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	10.3
55.05502	24.4
57.03432	23.0
57.07067	10.1
58.37843	6.8
59.85376	7.6
67.05516	70.9
69.07047	24.0
70.06772	32.4
76.71806	7.2
79.05491	71.6
81.07062	81.2
83.04995	10.1
83.08584	9.4
87.38005	9.0
91.05494	55.1
93.07040	100.0
95.04997	10.0
95.08612	72.6
98.20779	10.8
98.21338	18.4
105.07031	36.1
107.08587	40.9
109.10144	34.2
112.97559	7.4
117.07025	16.0
119.08574	34.0
121.10149	37.4
131.08575	23.6
133.10149	20.8
135.11714	26.5
145.10162	19.3
147.11678	15.9
149.13306	9.7
149.79402	8.3
159.11667	9.9
161.13239	13.9
173.13400	8.6
187.14816	12.1
241.19481	9.0
259.20499	16.3
261.21945	8.3
277.21542	12.5
320.87704	8.0
333.24161	15.3
335.25778	98.9
351.25204	30.5
466.79843	8.9
611.46808	22.4
646.47577	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.2
55.05508	9.7
57.03436	7.3
61.02930	4.6
67.05173	2.7
67.05513	41.7
69.03420	2.7
69.07055	8.1
70.77014	6.5
71.04984	3.9
73.02882	2.0
77.56606	1.7
79.05499	23.9
81.03429	4.6
81.07070	23.9
83.08628	2.9
85.02866	2.3
91.05490	14.3
93.07050	31.7
95.04968	4.8
95.08617	100.0
97.02891	2.8
97.06526	3.9
98.21013	2.5
99.08121	3.0
104.10771	2.8
105.07018	10.2
107.08594	11.3
109.06514	2.2
109.10175	7.5
117.07027	4.4
119.08578	8.6
121.10176	14.7
123.08050	3.3
131.08580	7.7
133.10110	9.3
135.11697	12.4
141.09090	4.6
145.10121	4.4
147.11684	4.7
149.13295	4.4
159.10182	10.3
159.11700	6.4
173.13281	6.0
175.90773	1.9
187.14890	2.4
215.12807	60.7
215.17902	13.8
233.19029	17.9
305.97543	2.5
307.19406	4.0
307.22681	46.2
353.24319	2.3
447.31064	26.4
458.47427	2.0
580.18915	2.2
626.45203	2.6
644.25397	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63315	0.9
55.05517	1.6
57.03407	0.9
57.07076	1.5
67.05503	2.9
69.07071	2.3
69.82597	2.0
69.83000	3.6
71.08611	1.0
73.33955	0.8
79.05517	1.1
81.07047	2.4
83.08620	2.4
89.93690	0.8
91.05482	1.3
93.07064	2.1
94.77700	0.8
95.08592	1.8
98.20924	1.6
98.21474	1.4
105.07043	1.5
131.08621	1.0
196.74683	0.9
231.15204	0.9
288.50214	0.8
333.20291	7.8
353.88559	1.1
389.23254	3.0
496.44583	0.9
531.40417	2.5
568.87463	0.9
643.45435	100.0
644.45978	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	644.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59380	0.8
55.05500	2.7
57.03436	2.6
61.02941	4.9
61.39775	0.9
67.05503	8.1
68.70255	0.9
69.03419	0.9
69.07069	5.2
70.06593	5.8
70.77655	2.3
71.04972	1.5
72.08162	1.1
73.02921	1.9
79.05499	3.4
81.07059	24.8
83.04971	2.8
83.08609	3.1
84.04503	1.4
84.08128	2.7
85.02908	7.6
85.06519	1.0
86.06059	1.4
86.09698	3.4
86.15025	0.8
91.03955	4.6
91.05492	7.6
93.07057	4.1
95.04977	1.7
95.08603	6.5
97.02909	5.0
97.06513	2.6
98.20937	1.3
99.04488	0.9
99.08098	1.3
105.07041	11.4
107.08592	3.9
109.06503	2.2
109.10173	0.9
119.08592	9.3
120.08106	1.0
121.10156	8.3
123.08081	2.1
123.11719	11.9
127.03909	1.7
127.07530	1.0
129.10202	1.7
130.06520	2.7
133.10133	1.6
145.04909	2.9
145.05984	1.0
146.73961	0.8
147.11693	35.1
157.10138	1.0
163.06026	3.7
165.12746	13.6
175.11151	2.1
183.13820	2.4
185.78337	0.8
193.12338	0.8
207.78961	0.8
229.14290	5.3
267.15924	34.0
285.16959	100.0
286.17285	2.5
447.22345	1.3
450.82379	1.0
588.14923	0.9
600.23846	1.2
644.23706	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	643.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.6
57.07060	0.4
67.05515	2.4
69.07077	1.0
69.73182	3.0
71.08659	0.6
79.05490	1.8
81.07060	1.9
83.08587	0.5
89.06044	1.5
91.05489	1.7
93.07057	1.5
95.04962	0.6
95.08594	1.1
97.06553	1.1
99.08118	0.5
105.07004	1.0
107.08602	1.0
109.10148	0.7
119.08588	1.2
121.10122	0.9
131.08562	0.7
143.87317	0.4
144.08055	0.6
145.10109	0.6
209.10770	0.8
224.13150	0.7
225.13904	0.7
227.58891	0.5
235.12411	0.7
237.13905	0.6
239.15529	0.7
245.10541	0.5
247.12462	0.7
249.13887	0.6
251.15524	0.8
261.13864	1.9
262.13120	0.6
273.13898	0.6
275.15540	1.2
281.12872	0.6
286.13446	0.6
289.16959	1.0
290.17004	0.6
291.19675	0.6
314.16513	1.1
316.14490	0.5
328.18317	1.0
335.25876	0.7
338.16660	0.9
339.16312	0.5
340.18329	1.0
350.16391	0.6
352.18231	0.7
354.19769	0.9
363.16248	1.0
364.17490	0.8
365.18100	0.6
366.18933	0.8
367.19974	0.7
368.21274	1.3
375.16046	1.0
376.16925	1.1
377.17484	4.7
378.18710	1.6
379.19263	2.5
391.19135	5.6
392.20145	2.0
393.20874	3.2
394.17657	0.8
395.18735	1.7
405.20721	3.0
406.21725	2.8
407.22589	6.1
408.18961	0.7
408.23502	0.7
409.20251	7.0
410.21225	0.6
411.21164	0.7
414.21716	0.7
419.22672	0.8
420.23169	0.6
421.23956	5.4
422.20859	0.5
423.21851	5.2
424.22934	0.9
426.21948	0.5
437.23322	1.7
439.25107	0.7
440.23373	1.0
447.21707	0.6
449.19659	1.0
450.20966	0.6
451.21332	2.0
465.22830	9.9
466.23773	1.2
467.25308	0.6
468.08765	0.5
475.10312	0.6
477.22925	0.8
478.22897	0.7
479.24506	4.4
480.25098	1.6
482.23541	1.4
493.25998	2.0
494.26627	0.8
495.27878	4.0
496.24805	1.1
497.25516	1.3
502.26755	0.7
507.27777	1.1
510.26245	0.7
511.27081	11.2
523.23352	0.5
525.28436	2.0
526.28662	0.7
535.27319	0.9
537.25049	3.3
538.25470	0.8
539.27039	2.1
541.28802	1.0
552.27087	1.4
553.27966	1.6
555.26062	1.7
567.29688	25.3
568.30060	2.4
569.27386	4.8
570.28479	1.0
583.29132	6.8
584.29865	3.9
599.32257	100.0
600.32343	3.7
611.28595	1.0
625.45007	0.8
643.31305	8.2
643.45581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.7
57.03445	4.2
61.65025	3.6
67.05507	17.9
69.52584	21.8
77.82448	3.0
79.05487	15.2
81.07056	15.2
91.05484	14.7
93.07033	12.7
95.04966	4.9
95.08619	15.9
98.21074	13.2
105.07014	10.1
107.04953	4.3
107.08595	4.7
109.10168	7.4
117.07058	3.9
119.08632	5.5
121.10107	4.6
124.31367	3.4
131.08571	5.8
131.52077	3.3
133.06458	3.5
133.10141	7.0
135.08086	4.4
159.60016	3.2
193.68468	3.2
228.09753	3.2
273.18500	7.2
274.13324	4.5
291.19482	9.1
304.14374	5.0
314.16348	4.8
318.15891	3.5
335.25922	4.8
337.15137	5.9
352.17261	4.3
353.17664	3.8
365.18240	3.4
365.22949	4.0
366.18408	5.0
377.18054	5.6
381.21048	5.7
407.18576	5.0
408.19165	5.2
409.20105	9.4
421.20001	4.5
422.21573	3.8
423.21640	12.5
443.21631	4.9
453.23038	4.6
454.22742	3.5
461.23160	7.2
465.23160	4.9
479.24637	7.0
481.22238	10.1
494.23279	7.9
496.24341	9.6
497.25043	11.7
503.24002	4.2
511.26810	12.8
512.28296	6.7
523.23743	6.4
524.23737	9.7
527.26746	4.4
539.26666	41.8
545.38440	7.3
557.27594	7.1
567.26141	31.0
569.23969	5.5
581.27582	6.7
583.25623	22.9
599.28705	100.0
600.28851	4.1
601.26099	9.1
611.24963	39.2
625.25977	7.4
627.94202	3.7
643.26782	12.0
643.45734	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	642.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.98593	0.3
54.18854	0.3
68.05035	1.1
69.03407	0.4
70.06591	100.0
70.61593	1.1
71.06925	0.5
79.05518	0.3
81.03407	0.9
86.09717	0.9
91.05484	0.6
94.04211	0.5
97.02908	0.8
105.07013	0.9
109.02881	3.6
112.07606	86.9
113.07938	0.5
114.05537	0.9
115.05510	0.5
116.07074	1.9
120.08123	0.3
122.03624	0.7
127.03967	0.4
133.06487	0.6
137.05141	0.2
137.05969	8.4
140.07063	49.6
141.07289	0.5
149.05899	0.4
158.08138	7.9
159.08076	0.3
161.05995	1.2
169.14337	0.3
175.07553	1.6
177.90944	0.3
184.59395	0.3
187.07530	0.8
190.07730	0.4
191.08533	1.3
199.07584	0.7
200.09189	0.4
202.07642	0.4
203.08521	0.4
212.09177	0.5
219.08098	1.9
220.08640	0.5
230.10263	0.8
231.08098	0.7
235.07677	0.4
236.08319	0.5
240.08800	0.8
242.10194	0.9
247.07590	0.6
251.10667	2.6
259.07559	0.5
260.08255	0.5
265.93088	0.3
266.10245	2.7
279.10162	1.7
284.11304	5.2
291.10135	0.9
302.12305	0.9
311.12827	3.9
323.12698	0.8
401.13754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64561	0.8
69.64966	1.3
71.13223	0.3
79.05449	0.3
83.71710	0.3
98.21346	0.6
189.27588	0.4
331.63843	0.3
396.12341	1.0
397.12927	2.4
398.13760	0.9
399.14270	0.7
409.13074	0.8
410.13797	2.8
411.14587	6.3
412.15277	4.0
413.16113	2.2
423.15329	1.7
424.11288	1.5
424.16473	2.3
425.16275	12.2
426.16962	8.0
427.17755	2.3
428.18427	2.0
437.16214	1.1
438.12354	3.4
439.13605	15.6
440.13574	1.1
440.19250	5.1
441.19321	37.5
442.14182	0.4
442.19705	2.6
451.18195	0.7
452.14142	3.4
453.15317	17.0
454.16055	5.5
455.16318	0.6
456.13708	0.4
457.14590	0.5
458.15704	0.4
459.20380	0.4
463.14255	1.0
465.15628	0.6
466.11621	0.5
466.17130	0.7
467.17206	25.4
468.17957	15.3
469.18759	13.6
470.19095	0.5
471.16837	0.5
472.16714	0.5
478.16483	0.5
479.17148	0.5
480.16769	0.6
481.14764	14.4
482.15491	4.1
483.16559	0.4
485.18115	1.2
486.19388	0.8
487.20099	0.5
494.17484	0.6
495.15997	3.4
496.17184	13.5
497.17743	2.4
498.19141	0.9
499.19406	1.4
508.19476	1.1
509.18506	2.2
510.18805	0.8
512.20660	1.4
514.22552	2.5
523.19409	1.1
526.18176	0.6
527.23523	2.8
540.20331	0.7
542.21686	0.8
555.22418	33.6
556.22711	2.2
568.19360	0.9
583.21924	100.0
584.22119	7.2
584.30847	0.6
586.20514	0.8
587.25647	1.8
611.20984	1.9
614.23749	1.3
615.24603	13.0
616.24896	1.4
629.21631	0.4
643.23926	61.4
644.24194	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64972	0.7
55.05505	1.3
65.34499	0.7
67.05510	1.9
69.07074	0.8
71.58912	1.0
79.05494	1.6
79.47601	0.8
81.07063	2.3
91.05492	1.8
92.80335	0.8
93.07038	1.5
95.04965	0.9
95.08601	1.2
107.08630	1.2
109.06512	0.9
119.08588	0.8
120.04505	1.0
121.10222	1.5
128.25737	0.7
131.08594	1.0
133.10167	1.0
145.10199	0.8
147.22446	0.9
187.48122	0.9
197.10934	0.8
209.10626	0.9
210.11644	1.1
211.12277	1.7
223.12190	1.5
224.13106	1.3
225.13824	1.2
227.11850	1.3
237.10229	1.0
237.13899	1.2
238.14606	1.0
239.11900	1.0
239.15454	1.2
272.11902	0.8
277.17236	0.8
289.17993	0.9
295.00751	0.8
314.12869	1.0
316.14868	0.9
318.15994	1.6
319.16806	1.0
323.12106	0.8
333.18121	0.8
344.18219	0.8
354.12210	0.9
355.13123	0.8
374.18716	1.1
384.17151	1.9
387.15210	0.8
390.21823	1.3
391.19250	1.1
392.19919	3.0
400.17752	0.9
400.39447	0.7
401.17950	1.8
403.19324	2.4
404.20099	1.4
405.20990	2.0
406.21631	2.7
407.22238	4.7
408.22971	0.9
412.16641	1.8
415.19345	2.1
416.20129	1.5
417.20819	5.1
418.21585	2.5
419.22232	3.3
420.22925	2.3
421.23816	4.7
422.24503	5.8
427.18774	0.9
429.20969	3.2
430.22058	2.1
431.22986	4.2
433.24307	5.4
434.24454	5.7
444.19427	3.5
444.24274	1.0
445.24020	2.7
446.16687	0.9
446.24786	2.2
451.21286	0.8
457.24683	1.1
458.20432	1.1
459.21823	2.5
460.22473	1.6
461.19427	1.9
462.20618	3.8
463.21194	3.8
466.38242	0.8
472.22443	1.4
473.23245	4.2
474.24121	2.9
475.21341	4.1
476.22150	2.0
477.22928	11.6
485.23563	0.9
487.24857	5.6
489.23001	2.1
491.24860	2.7
503.24417	1.2
505.26154	1.7
506.26678	1.6
515.24585	1.8
518.23242	1.0
519.27698	2.2
521.22992	0.8
523.27094	1.4
532.24646	0.9
535.23688	2.6
543.36267	1.1
545.25470	6.3
546.26105	1.3
547.27118	14.0
548.26550	1.1
549.25159	10.3
550.25793	17.1
550.34210	1.1
563.26801	5.0
564.27667	2.2
565.28265	1.7
577.28131	1.7
579.29828	7.1
591.26080	14.7
605.27521	16.6
609.27350	8.6
623.28668	100.0
624.28937	4.8
640.45825	1.5
641.31372	7.8
641.45483	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2969
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
50.95889	0.8
55.01860	1.1
55.05504	2.2
57.07060	1.5
60.49810	0.8
67.05514	5.5
69.07061	1.1
70.29655	1.7
70.30048	2.1
71.08630	1.1
74.78947	0.8
79.05493	3.4
81.07061	4.8
83.08593	1.0
89.06028	2.0
91.05459	4.6
93.07034	3.9
95.08608	3.4
97.06485	1.1
98.21251	1.2
98.40533	1.0
105.07039	2.5
107.08585	2.6
109.10130	1.4
119.08594	1.6
131.08546	2.2
133.08588	1.5
133.10098	1.9
145.10109	1.6
145.15288	1.0
147.11714	1.4
187.35884	0.9
273.13748	1.1
377.17569	0.9
389.17892	1.2
392.19794	1.0
394.79105	1.0
401.17401	2.0
402.18301	2.9
403.19183	3.5
404.20276	2.2
405.20816	1.1
406.21890	1.1
407.22266	1.1
415.19101	3.7
416.19937	2.6
417.20810	5.7
418.21500	3.4
419.22543	2.1
421.23685	1.6
429.20663	3.8
430.21588	3.0
431.23059	5.4
433.24100	6.6
443.22668	1.2
443.67490	1.0
444.22931	3.2
445.19119	1.5
445.23990	4.1
446.24942	1.2
447.17722	1.6
447.25940	2.0
449.23456	1.5
457.19968	2.2
458.25192	1.1
459.21347	5.7
460.22507	3.0
461.19788	3.2
462.20728	4.8
463.20966	6.7
472.22333	2.6
473.17294	1.1
473.23431	6.8
474.24078	2.5
475.20969	6.8
476.21732	2.2
477.22922	19.5
485.23441	2.2
487.24945	7.4
489.22910	2.1
490.24097	1.2
491.24484	5.5
505.25775	2.8
506.26682	3.5
515.24097	1.7
519.27545	3.8
532.24304	2.3
535.23492	3.8
543.36328	1.7
545.25311	9.8
546.26062	1.6
547.27118	20.3
549.25128	15.2
550.25726	21.2
563.26312	4.3
564.27155	3.0
577.27795	2.7
579.29651	11.4
591.26013	16.2
605.27570	25.2
623.28650	100.0
624.28668	3.3
641.28381	2.0
641.44000	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	641.2969
Annotation	Moluccensin F
Peak:m/z	Relative Intensity
55.05506	1.0
60.42601	0.9
67.05502	4.7
69.07062	1.2
79.05499	2.8
81.07073	4.8
81.26689	0.8
91.05478	3.1
93.07041	3.5
95.04982	1.3
95.08596	1.8
96.11736	0.8
97.97254	0.9
98.20767	1.8
98.21436	2.2
105.07029	2.5
107.08618	2.2
108.52869	0.7
109.10148	1.2
117.07003	1.5
119.08551	1.7
121.10112	1.5
121.99397	0.9
131.08496	0.9
132.08176	0.9
133.10149	1.4
136.71869	0.8
143.08659	1.0
145.10136	1.2
159.11607	1.0
176.07018	0.9
186.95882	0.9
196.09929	1.6
197.10776	2.0
209.10875	1.4
209.17105	0.8
210.11404	1.9
211.12350	2.6
223.12381	1.2
224.13147	1.9
225.13867	3.2
227.11836	2.5
235.12094	1.2
237.13936	1.5
238.14627	1.1
239.11836	1.9
239.15483	3.1
247.12253	1.3
259.12497	1.1
263.15393	1.6
269.12967	0.9
279.11139	1.1
288.15662	1.9
289.16190	1.3
290.12964	1.2
290.16599	1.6
292.18121	1.9
304.14352	1.4
304.18060	1.3
305.15210	1.0
305.18686	2.0
307.10788	1.3
313.15698	1.6
317.15909	1.2
318.16202	2.2
319.17175	1.7
330.16083	1.0
331.17700	0.9
334.19189	1.2
342.16376	0.8
344.17792	1.4
346.19110	1.0
354.12454	0.9
358.19034	1.2
361.38715	0.9
374.18457	1.5
377.17642	1.0
378.18402	1.3
384.16943	4.3
388.20258	1.4
390.18396	1.5
391.19168	1.0
392.19595	3.6
393.20386	1.3
401.17865	1.3
403.19418	2.6
404.20309	2.4
405.21017	2.1
406.21481	5.5
407.22238	8.1
408.23108	1.7
412.16620	3.4
417.20963	1.5
418.21848	1.7
419.22226	3.7
420.22623	3.2
421.23621	7.8
422.24567	10.6
426.18256	1.2
427.19305	1.1
428.19977	1.5
429.20892	2.5
430.21677	1.1
431.22601	1.4
433.24213	1.5
434.18671	1.3
434.24362	7.9
435.21664	2.0
444.18884	5.8
447.17532	1.5
448.19101	1.0
449.23630	1.2
459.21677	2.6
460.22733	1.6
462.20563	2.7
463.21219	10.4
473.23422	1.3
475.21716	4.8
476.21652	2.6
477.23172	5.4
487.24918	3.4
489.23233	1.7
490.22980	1.4
491.24289	3.9
494.26694	2.4
495.27463	2.7
503.21439	1.2
505.26025	1.5
508.22330	3.1
519.19342	1.3
520.20752	1.4
523.27325	1.3
531.24677	1.0
535.23065	1.5
543.36731	2.1
545.25482	10.1
547.27191	8.9
549.24963	18.9
550.25842	7.0
561.21161	2.2
563.26563	7.5
564.27142	1.8
565.27283	2.3
576.23438	2.4
577.25220	1.7
579.29858	2.6
581.27197	1.9
591.26074	53.9
592.25598	1.7
593.23584	1.1
595.29041	1.6
605.27386	9.4
608.26257	1.1
609.27057	16.7
623.28674	100.0
624.28314	3.7
641.29163	15.4
641.42365	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2968
Annotation	Crooksiine
Peak:m/z	Relative Intensity
52.70557	0.4
55.05526	0.6
59.14173	0.4
66.80021	0.3
67.05523	0.5
71.57628	0.6
79.05517	0.7
81.07069	1.3
83.08612	0.4
91.05498	0.9
93.07074	0.8
105.07067	0.6
113.70347	0.4
117.07097	0.6
127.03832	0.4
131.07126	0.4
133.10147	0.5
173.07445	0.8
205.70457	0.5
206.12900	0.5
275.20190	0.6
313.28000	0.5
353.95392	0.5
376.15677	0.5
377.17834	1.0
379.19342	0.7
384.92590	0.5
391.19406	1.6
392.20166	1.1
393.21082	1.7
405.17322	1.7
405.21613	0.6
406.17566	0.8
406.22134	0.7
407.17773	0.8
407.22733	4.5
419.18506	2.9
420.19565	1.3
421.20215	3.9
423.22046	0.7
433.20364	4.1
434.21173	4.3
435.21924	7.2
436.22794	0.8
447.17316	0.6
447.22516	1.2
449.19638	7.7
451.21527	0.5
461.19241	0.9
462.20636	3.3
463.21332	3.6
464.22342	1.1
475.21133	0.7
477.23431	0.9
478.23721	0.8
479.20850	1.1
481.22107	0.7
493.22552	1.6
494.23624	2.5
495.24072	3.2
507.24402	5.9
508.24991	1.3
509.25299	0.9
521.25806	4.4
522.25873	0.6
535.23334	8.0
539.23260	0.6
549.24957	1.9
550.25714	0.6
553.23798	0.6
563.24597	0.9
567.26270	2.5
581.27795	23.0
582.28131	1.0
595.25452	8.6
596.24554	0.6
609.27148	1.8
623.25952	0.8
641.29761	100.0
642.30249	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	641.2964
Annotation	Crooksiine
Peak:m/z	Relative Intensity
50.63372	0.5
67.05496	1.4
69.07072	0.7
70.76876	1.2
75.21708	0.7
79.05485	1.3
81.07056	1.8
91.05454	1.4
93.07035	1.1
95.08618	1.1
96.66485	0.6
98.21305	1.0
102.22934	0.6
105.07026	1.1
119.08619	0.7
131.08575	1.1
133.10132	1.4
145.10124	1.1
155.08575	0.8
156.19458	0.6
163.27599	0.6
237.10048	0.6
357.91830	0.7
405.20731	1.8
406.21576	0.8
418.17444	1.5
419.18497	1.7
432.19748	0.9
433.20212	4.3
434.20950	2.0
435.21698	0.9
447.17252	1.3
447.22150	2.1
448.22565	2.0
449.23895	1.1
461.19363	8.8
462.20511	4.2
465.18311	0.7
467.24448	1.6
476.21954	2.2
477.22961	3.5
479.20587	1.2
480.21692	1.2
493.21909	1.5
494.22809	3.5
495.24292	1.4
505.22769	1.1
507.24011	1.0
521.22394	1.1
535.27185	1.2
548.23932	2.7
549.24750	1.2
553.28107	1.2
563.26471	6.4
564.26880	0.9
566.25317	0.8
575.33759	0.7
581.27667	10.8
608.26428	1.4
623.28406	5.2
623.43542	0.8
641.29626	100.0
642.30005	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	641.2967
Annotation	Crooksiine
Peak:m/z	Relative Intensity
57.20898	0.2
67.05474	0.2
69.36716	1.8
91.90575	0.2
121.48141	0.2
197.10805	0.3
211.12479	0.3
225.10304	0.3
227.11804	0.3
240.41298	0.2
328.14600	0.2
330.16138	0.3
353.83920	0.2
365.17566	0.3
376.17020	0.3
377.17761	0.9
378.18381	0.6
379.19232	1.2
380.20041	0.3
389.17661	0.2
390.18552	0.5
391.15012	0.5
391.19629	1.3
392.19904	0.6
393.16556	0.3
393.20844	2.0
394.21689	0.2
395.22446	0.6
404.20551	0.2
405.16602	2.5
405.20953	0.6
406.17273	1.3
406.22421	0.4
407.22702	4.5
408.23148	0.8
416.75967	0.2
418.18164	0.7
419.18365	3.3
420.19153	2.0
420.24249	0.2
421.20193	5.4
422.20572	0.4
423.21826	1.4
431.18591	0.2
433.20355	5.1
434.21375	4.3
435.21960	7.7
436.22888	1.2
437.23770	0.4
447.22836	1.4
448.18420	0.6
448.23221	0.6
449.19641	8.6
450.20532	0.6
453.22736	0.2
461.18762	0.3
461.24152	0.5
462.20474	0.7
463.21085	3.5
464.22107	1.7
465.19302	0.7
466.23618	0.5
467.24411	0.8
476.22159	0.6
477.23022	1.1
479.19861	1.0
479.25760	0.4
480.21420	0.4
481.22168	1.9
489.23383	0.3
490.23856	0.3
491.24893	0.4
492.21942	0.2
493.21643	2.6
494.23126	3.4
495.23856	3.8
496.24652	0.2
507.24136	2.1
509.25247	0.3
520.24976	0.3
521.25696	10.0
522.25897	0.6
523.27032	0.8
526.25665	0.4
534.04474	0.2
535.23541	0.6
539.23358	1.3
549.24756	0.8
550.25281	0.4
551.25415	0.2
553.25226	0.7
563.26392	0.9
567.26001	0.7
581.27612	18.1
582.27960	1.1
609.26929	0.8
610.27533	0.4
613.30170	0.3
623.28705	0.4
641.29669	100.0
642.29883	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	640.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.05513	19.7
56.02334	4.0
57.03432	14.2
57.06824	3.9
57.07078	51.2
65.27545	5.2
67.05504	65.3
69.07076	32.6
71.08636	43.9
71.40459	7.1
71.44302	3.9
79.05493	46.4
81.03401	7.9
81.07059	66.2
83.04998	7.1
83.08638	24.6
85.05207	5.0
85.06544	5.0
85.10177	28.8
89.06020	5.6
91.05472	40.5
93.07040	40.5
95.04969	11.7
95.08604	47.2
97.06517	10.4
97.10176	10.3
105.07039	33.3
107.08595	24.8
109.06530	6.4
109.10145	21.1
117.07045	20.2
119.08577	18.0
121.10130	18.2
123.11684	8.4
131.08582	17.2
133.10123	18.6
135.11687	9.6
137.09654	5.8
138.08527	4.2
145.10121	11.1
147.11696	12.4
149.09618	11.4
149.13257	13.7
159.11694	15.1
163.11179	5.0
171.11731	5.2
177.12840	6.5
187.14833	4.7
195.13828	7.7
225.34299	4.4
229.45995	4.4
239.23756	7.6
247.20514	5.2
255.15942	13.2
257.19049	8.1
269.17493	17.6
275.20108	33.5
313.27347	94.9
349.23773	21.6
367.24777	4.3
375.56763	4.5
427.36658	4.2
493.38757	23.5
507.40482	100.0
547.43451	9.8
587.46741	12.9
596.76086	3.9
605.47479	5.8
641.25073	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	640.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00274	0.5
54.03462	1.4
61.02915	0.7
61.07254	0.5
69.03426	1.9
69.84772	1.5
69.85188	1.3
70.06599	2.4
71.20399	0.5
80.05004	1.6
81.03439	0.9
81.04543	26.0
84.08138	0.6
85.02901	3.5
89.03926	2.4
91.05421	0.5
97.02891	0.9
102.92091	0.5
110.07216	0.6
117.03376	5.6
119.04961	0.8
120.08092	0.6
122.07153	100.0
127.03954	0.5
129.10214	0.6
135.04407	1.1
136.07594	0.9
140.08194	23.1
145.02841	16.3
147.04398	2.1
149.05968	2.3
163.03903	2.8
177.05470	20.7
302.13470	3.9
316.44052	0.6
339.65729	0.5
478.18210	33.3
479.18427	1.0
567.56055	0.5
640.23450	47.6
641.23883	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.1
57.03437	24.3
57.07078	41.5
67.05509	38.4
69.07072	27.8
69.17928	2.9
71.08639	28.9
76.23106	3.2
78.48039	3.3
79.05492	32.2
81.07063	46.1
83.06979	3.4
83.08629	14.1
83.56789	3.2
85.06522	3.6
85.10176	10.8
91.05479	48.9
93.07043	32.2
95.04940	5.4
95.08622	43.4
97.06554	7.4
97.10165	9.9
98.21133	17.0
105.07043	37.8
107.08609	18.6
109.06525	4.2
109.10160	20.3
111.08114	5.7
115.05431	5.3
117.07058	20.8
119.08592	32.0
121.06530	4.3
121.10164	10.6
123.11682	4.3
125.09638	3.1
129.07031	12.1
131.08585	26.0
133.10136	20.1
135.08000	3.7
135.11652	5.0
143.08594	9.0
145.10138	25.2
147.11711	16.2
157.10150	10.9
159.11691	24.4
161.13293	7.1
163.11241	6.3
169.10092	5.7
171.11745	7.1
173.13293	13.3
183.11780	7.9
185.13286	24.2
188.42249	3.7
197.13271	5.1
199.14818	4.0
201.16385	3.7
202.61592	3.9
203.14360	12.9
219.17514	8.2
227.12782	6.1
239.17986	13.3
239.23680	6.3
257.19073	29.3
267.16220	4.9
275.20093	49.9
313.21774	3.9
313.27405	100.0
331.22806	6.1
349.23663	38.1
467.36865	5.4
587.46448	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	639.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.0
57.03426	0.8
57.07070	1.8
67.05511	5.1
69.07056	2.1
69.28508	2.4
69.28934	4.3
74.87556	0.7
78.29688	0.6
79.05500	3.7
81.03405	1.4
81.07067	3.8
83.08600	0.8
84.66470	0.7
91.05471	1.2
93.07037	2.8
95.04967	1.2
95.08587	2.8
98.20769	1.5
98.21429	1.7
105.07008	2.4
107.08586	1.8
109.10139	1.7
119.08569	1.2
121.10184	1.0
131.08566	1.1
137.95213	0.6
141.68932	0.7
147.11627	1.0
150.97540	0.7
174.68808	0.8
225.13614	0.8
265.13193	0.7
267.15860	1.3
305.17206	6.0
313.27322	1.1
314.27533	1.6
333.20367	4.5
361.19888	3.7
377.18240	0.9
391.19257	1.1
405.20895	1.0
407.22256	1.8
421.24048	4.3
467.37003	0.8
493.26343	1.0
503.24225	1.2
506.39355	1.8
508.28583	1.1
535.26593	1.3
579.25470	1.2
595.29156	6.0
607.25037	1.7
621.26965	1.8
639.27936	18.9
639.41974	100.0
640.28204	1.2
640.42615	3.6
640.51624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05516	0.8
64.10459	0.6
67.05503	1.1
69.44823	4.5
79.05484	0.9
81.07067	1.3
87.82213	0.5
89.06035	0.8
91.05469	0.6
93.07022	0.6
95.08628	0.7
95.66307	0.6
105.07043	1.1
112.81145	0.6
132.28027	0.6
145.10228	0.7
172.37178	0.6
177.11234	0.6
237.10146	0.6
251.11774	0.6
267.71332	0.6
304.11282	0.5
363.16150	0.7
379.19223	1.3
390.18484	0.8
391.19299	1.5
393.21017	1.1
404.16141	0.9
405.17111	1.8
405.21408	1.0
406.17575	1.1
406.22046	0.9
407.22824	3.2
418.17828	1.6
419.18536	4.0
420.19281	1.2
421.20346	4.0
422.21201	0.7
423.21744	0.6
426.28793	0.6
433.20184	10.1
434.21143	4.9
435.22086	6.1
436.22632	1.1
437.23846	0.9
447.21710	2.3
449.19531	5.7
461.19357	0.6
463.21948	2.8
464.22305	2.1
465.23044	1.7
475.21045	0.8
477.18893	0.7
478.19977	0.6
479.20853	1.9
491.20447	1.2
492.21564	5.0
493.22064	4.0
505.22647	2.7
507.24210	1.6
521.25671	7.3
535.23291	0.7
537.20361	1.0
549.24542	0.6
551.26343	1.8
561.24725	0.8
565.24707	1.2
579.26123	19.2
580.26483	1.8
581.27490	1.9
597.27332	1.8
607.25696	1.6
621.27179	1.9
639.28223	100.0
639.40198	9.3
640.28271	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2816
Annotation	Cucurbitacin B 2-sulfate
Peak:m/z	Relative Intensity
63.26273	1.3
67.05517	2.1
69.63853	8.8
79.05489	2.2
81.07043	2.4
91.05470	2.5
93.07057	2.0
94.06607	2.0
98.21049	5.0
108.61620	1.4
109.10174	1.4
113.37524	1.3
119.08595	1.6
144.03978	1.3
197.10745	1.7
199.08618	2.6
209.10748	4.7
210.11479	2.2
211.12279	4.1
223.12256	5.3
224.13121	7.6
224.15088	1.1
225.13866	3.8
235.08615	2.3
236.09438	1.8
237.10127	2.2
237.13860	5.2
239.08183	1.4
239.15387	3.6
244.44376	1.2
249.10254	3.6
250.10989	2.6
251.11884	2.3
253.09729	1.6
265.09875	2.1
265.13284	3.4
277.09756	3.6
337.11935	2.5
379.19000	1.8
380.19885	1.9
381.86884	1.9
394.16806	1.5
403.19162	2.7
423.21829	2.0
431.18616	2.1
437.23456	2.0
443.18521	2.5
445.20157	3.9
459.17941	3.8
460.22739	2.8
475.21384	2.6
487.21295	2.7
488.22095	2.4
491.20276	1.7
501.22729	2.4
502.19702	2.3
515.21185	2.8
519.23688	2.8
523.23541	1.7
529.22192	3.5
533.24811	5.6
543.23853	2.9
546.22101	2.7
551.26392	2.0
552.26556	1.8
561.24969	75.1
562.25110	3.1
579.25525	2.6
589.24487	22.1
597.26825	1.9
607.25281	2.8
609.27344	2.2
621.27112	100.0
622.27197	4.9
639.18323	2.4
639.28094	43.3
639.39612	2.3
639.43121	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2811
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.29578	0.3
51.29845	0.3
63.90413	0.3
67.05490	0.4
69.94676	1.3
72.34147	0.2
79.05503	0.4
98.21143	0.8
119.08572	0.3
122.09693	0.3
137.78902	0.3
146.09747	0.3
163.48775	0.3
172.04134	0.4
204.06624	0.5
209.10829	0.4
223.08868	0.4
225.10188	0.5
237.10272	0.4
239.11884	0.6
241.13269	0.4
251.08229	0.4
286.13733	0.3
309.12427	0.4
311.14261	0.3
314.12863	0.7
324.15039	0.3
326.12860	0.4
328.14423	0.4
339.13889	0.4
365.17978	0.4
377.13797	0.4
379.19202	0.3
391.15167	0.3
392.16446	0.8
393.17087	1.0
393.21390	0.4
403.15051	0.5
404.16690	0.4
405.17230	1.1
406.17853	0.6
407.18744	1.7
417.17529	0.6
418.17892	0.4
419.18808	1.1
420.19580	1.0
421.20407	5.8
422.21136	1.9
423.21603	0.6
431.19193	0.4
432.19165	0.4
433.15845	0.7
433.20435	1.1
434.17456	1.4
435.17618	3.4
436.22870	2.4
437.22803	0.3
441.93710	0.3
445.16061	0.5
446.21567	0.4
447.22784	1.8
448.18781	2.8
449.19687	8.7
450.20444	2.7
451.21234	0.6
459.18207	0.7
460.18896	0.8
461.19919	1.6
462.21133	0.5
463.21707	5.4
464.22021	5.7
465.23135	1.2
473.19736	0.6
474.20630	1.2
475.21799	1.9
476.18768	0.9
477.19019	6.2
478.19882	2.3
479.20984	1.0
490.20261	0.5
491.21207	1.2
492.21475	1.0
493.22134	0.9
495.24203	0.5
505.22287	0.6
507.24637	1.4
508.24615	0.3
509.26285	0.4
521.21918	0.7
523.23065	2.2
528.28986	0.4
533.22247	1.1
534.23547	0.5
535.23572	3.2
536.24030	1.7
537.21454	1.0
547.23639	0.4
549.20892	0.8
550.25568	0.9
551.26508	2.2
561.24829	3.0
562.25293	0.4
563.23065	0.5
564.23657	3.6
565.24384	2.1
567.25922	0.9
579.26099	7.2
580.26459	0.4
581.24384	0.5
592.23041	0.6
595.25665	2.3
596.26440	1.0
597.26636	0.4
607.25293	0.6
610.27850	1.0
621.27051	4.2
622.26971	0.5
624.25659	5.0
639.28113	100.0
640.28400	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	638.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.9
55.05516	49.7
57.03437	6.6
57.07065	10.1
57.07328	2.1
60.46550	2.6
62.83438	2.3
67.05506	27.5
69.07071	31.1
69.37608	3.6
69.38010	17.4
71.08620	8.7
79.05498	26.0
81.07064	22.9
83.04963	4.5
83.08618	37.4
85.10186	3.1
91.05499	15.0
93.07047	12.3
95.04969	2.9
95.08601	9.4
97.10171	50.2
105.07027	13.4
107.08604	38.0
109.10151	8.0
117.06992	6.1
119.08588	8.9
120.16616	2.5
121.06542	2.6
121.10139	3.4
125.09630	30.9
131.08548	6.5
133.10152	8.6
135.08014	3.5
135.11697	2.7
139.41306	2.5
144.47717	2.2
145.10114	10.0
147.11687	3.7
153.09106	2.6
156.78242	2.4
159.11661	4.3
159.38805	2.1
167.00270	2.0
169.10063	2.6
171.11736	3.1
185.13235	3.3
189.11218	17.4
191.25388	2.2
202.68565	2.5
222.32845	2.3
227.12788	100.0
240.35802	2.8
257.18939	4.9
275.20071	19.5
296.46313	2.7
301.05270	2.2
311.25781	48.7
311.29160	3.5
331.22754	3.8
339.32492	2.6
349.23740	16.9
372.28311	2.5
419.18143	2.6
481.35254	30.7
492.97821	2.6
494.39108	2.6
585.45148	50.0
638.30499	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	637.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00242	0.6
55.88340	0.6
71.58341	0.8
79.05491	0.9
93.07023	0.7
99.45263	0.9
111.60431	0.7
118.86348	0.6
223.47258	0.8
259.92847	0.7
270.92639	0.7
295.64005	0.8
318.59500	0.7
364.13461	0.8
375.38931	0.7
401.17572	1.1
403.19284	1.6
415.19623	1.1
417.21136	1.8
419.22525	2.1
429.16556	1.1
430.17938	2.8
431.17999	3.6
432.19073	1.1
443.18674	2.0
444.19620	2.1
445.20282	10.3
446.21173	2.6
447.21951	1.1
458.20938	8.6
459.21851	5.9
460.23044	5.8
461.19427	4.2
462.20273	0.8
473.23703	0.9
475.21280	2.3
476.22122	1.7
477.23035	1.6
485.23425	0.8
487.25302	0.9
491.24435	1.3
515.13495	1.0
517.22302	1.2
518.22772	5.9
531.23676	1.6
533.25470	4.1
535.23297	0.9
545.25256	1.7
546.26331	1.7
549.25702	1.0
573.24402	1.4
577.27155	2.4
605.27631	12.9
606.27881	1.2
637.30225	100.0
638.30243	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45691	6.6
55.01876	7.7
55.05514	55.7
57.03430	17.6
57.07071	21.8
67.05510	49.9
69.07076	70.1
71.08630	11.6
72.59452	7.6
79.05506	38.5
81.07069	47.4
83.08615	49.5
91.05506	42.7
93.07062	45.8
95.08607	38.4
97.06548	8.1
97.10177	48.5
98.21355	32.5
105.07037	33.7
107.08598	28.4
109.10185	18.0
109.53429	6.3
117.07012	10.3
119.08575	23.3
121.10139	9.6
125.09625	17.4
129.07045	8.6
131.08527	23.0
133.10165	18.0
135.11740	11.8
143.08514	7.8
145.10153	16.5
147.11665	14.7
149.09689	9.5
159.11726	10.7
163.11191	8.7
186.70677	8.0
189.11272	11.8
227.12836	40.6
257.18970	18.9
275.20053	39.7
311.25818	100.0
349.23914	38.1
368.67487	7.7
407.31403	7.8
481.35257	18.1
489.39297	13.6
522.40869	8.5
585.45068	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01868	6.0
55.05266	3.4
55.05516	50.5
57.03438	13.9
57.07082	22.3
65.03934	2.3
67.05510	50.7
69.03406	2.8
69.07071	59.3
69.30024	3.8
69.30446	11.1
71.05003	3.6
71.08640	13.0
73.02909	1.9
79.05499	44.4
81.03403	3.0
81.07061	60.3
83.04996	8.4
83.08135	3.2
83.08624	50.8
85.06564	2.8
85.10172	4.6
87.04463	1.7
89.06039	9.1
90.32869	1.5
91.05483	36.1
91.06360	1.8
93.07050	44.9
95.04984	9.7
95.08614	29.2
97.06545	11.8
97.09602	1.6
97.10179	29.1
98.20853	5.0
99.08059	2.4
102.06781	2.0
105.07046	22.6
107.04956	5.4
107.08596	25.8
109.06508	4.7
109.10159	9.7
111.08086	5.2
111.11717	6.2
113.09624	1.6
117.07031	11.2
119.08595	17.2
121.06502	2.6
121.10151	16.9
123.08036	3.0
123.11719	3.6
125.09635	3.5
129.07011	3.7
131.08572	12.8
133.08626	2.7
133.10149	15.2
135.08047	3.6
135.11691	15.3
137.09624	3.5
137.13281	1.9
143.08545	2.8
145.10126	9.3
147.11693	6.8
149.09608	7.3
149.13217	10.2
159.11700	10.7
161.13211	3.0
163.11203	3.9
171.11632	2.0
173.13257	1.8
174.93028	1.6
177.12770	2.2
185.13263	1.6
195.13843	4.1
213.14845	1.9
227.12759	2.5
237.22139	4.0
239.18039	2.6
247.20682	2.2
251.16512	2.3
255.15854	7.5
257.19009	7.0
269.17474	10.4
275.20062	22.7
290.21609	1.7
291.19608	2.2
311.25830	70.8
339.29068	2.4
349.23788	18.5
465.35980	2.3
491.37305	28.7
505.38889	100.0
506.39032	2.9
524.35181	1.8
545.42133	2.5
585.45209	16.7
603.46344	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	637.2655
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
53.03933	1.9
53.08649	1.7
54.04137	1.5
54.20369	1.6
55.05498	6.7
57.03432	2.8
57.07063	3.6
67.05508	9.9
67.05810	2.0
69.07053	6.1
70.72478	5.8
74.09727	11.9
79.05491	10.9
81.07053	9.7
83.08609	5.0
91.05476	7.6
93.07039	7.8
95.04945	3.2
95.08588	6.1
97.10133	3.4
104.04998	2.9
105.04513	2.5
105.07037	4.6
106.06589	2.3
107.08597	4.9
109.10186	3.3
119.08566	4.0
120.08076	2.3
121.10149	3.6
125.09662	2.1
129.06953	1.9
131.08594	2.9
133.10097	2.7
134.06018	10.6
145.10216	2.0
151.09950	1.9
151.11134	1.8
159.11691	2.1
172.03860	2.9
178.03604	2.3
178.05019	16.1
204.06558	4.7
213.42609	1.8
221.10741	2.3
223.08723	3.2
225.10220	2.1
227.12709	2.0
235.08749	3.9
237.10141	2.2
239.11879	3.0
249.10291	4.4
251.08234	3.0
251.11821	2.0
253.13457	2.4
277.09756	3.5
279.11301	4.8
281.12665	3.2
291.19632	2.2
293.12769	2.1
296.11557	2.0
296.71146	1.9
301.12170	2.3
303.02945	1.7
309.24112	2.6
311.14175	1.9
324.11426	3.3
325.11929	2.2
326.12912	4.3
328.11020	2.1
329.11877	2.0
330.16113	2.1
337.11896	13.9
338.12900	2.4
339.13651	2.8
340.10779	2.0
340.14468	4.8
341.11447	2.5
354.12421	4.3
354.16278	2.1
356.13922	2.5
366.12250	2.6
368.14044	3.0
370.15631	1.9
382.15540	2.6
404.16608	2.2
410.14658	3.5
428.16162	3.4
433.16022	2.4
442.17804	3.0
461.20145	1.9
465.35123	2.5
470.16965	5.5
475.21063	2.8
481.35410	2.1
490.20026	2.7
503.20828	4.9
517.22034	2.8
535.23511	23.3
563.22974	3.3
573.20764	2.0
577.24420	34.8
595.25598	8.1
605.23932	58.2
609.26825	2.8
619.46069	3.1
637.26495	100.0
637.39758	4.9
638.26563	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	637.2656
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
69.07076	0.4
70.62282	0.9
70.62639	0.5
81.03453	0.4
83.98914	0.4
93.07085	0.8
98.21249	0.6
107.12489	0.4
109.06506	0.4
119.08604	0.5
126.46989	0.4
130.45166	0.3
133.10165	0.4
141.85394	0.4
204.17499	0.6
209.10768	0.7
256.85333	0.4
375.16168	0.9
376.16794	0.6
387.16187	0.8
388.17056	0.8
389.17780	2.2
391.19040	0.6
401.17712	1.2
402.18530	1.5
403.19391	2.9
404.19937	1.1
405.20920	0.7
415.15131	0.9
415.19974	0.7
416.15753	0.9
417.16956	1.6
417.21014	1.5
418.21869	0.7
419.22531	3.0
429.17355	1.3
429.51971	0.4
430.17944	1.3
431.18262	3.0
432.19376	0.9
433.20596	1.0
435.18106	0.9
443.18930	0.6
444.19312	0.5
445.20163	4.5
446.21118	2.5
447.22830	2.5
457.16394	0.7
459.21930	1.3
461.16138	1.7
461.21063	0.6
462.16321	0.5
463.21591	3.6
464.21841	0.6
475.17877	2.2
476.18585	1.5
477.19180	1.7
489.19171	2.8
490.19885	7.3
491.20645	10.0
503.21051	3.6
504.21677	1.1
517.22308	1.6
533.25580	6.3
535.20258	0.9
545.21875	0.9
549.24396	1.9
559.23590	0.8
577.24457	24.1
578.25012	1.0
593.27625	1.4
605.23877	0.7
609.27667	0.9
619.26074	0.6
637.26569	100.0
638.27118	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	637.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57637	0.4
55.05442	0.4
56.00200	0.4
59.48826	0.5
67.05465	1.1
70.71877	1.4
79.05442	0.5
81.06984	1.9
83.84478	0.4
91.05407	0.6
91.70545	0.5
95.08556	0.7
109.10084	0.5
139.05215	0.4
145.08484	0.5
201.11140	1.3
215.46251	0.5
235.12320	0.7
277.12350	0.8
363.16592	0.5
374.16440	0.8
375.16440	0.5
377.17673	1.4
384.14554	0.8
385.14191	1.1
386.15417	1.5
387.16327	0.8
388.17642	0.9
391.19144	1.9
392.20023	1.0
393.20834	2.2
398.15991	0.7
399.16080	2.0
400.16956	3.0
401.17709	4.0
402.19009	1.0
404.20053	0.6
405.20874	0.9
407.22382	3.0
411.16464	0.5
412.17041	1.1
413.17743	3.5
414.18546	4.8
415.19357	8.9
416.19885	1.7
417.20758	1.5
419.18375	0.7
419.23047	0.5
421.20313	2.9
425.17627	1.4
427.20084	2.2
428.20251	4.4
429.21301	8.5
430.22113	2.7
431.18637	0.7
435.21613	2.3
436.22693	0.8
438.18124	0.6
440.17798	0.5
441.17300	1.8
442.17700	1.0
443.18130	3.3
443.22491	4.4
444.18381	4.4
444.24268	1.2
445.20215	3.1
447.18225	1.3
455.18524	1.1
456.19473	1.6
457.20508	5.8
458.21225	3.9
459.17920	1.4
459.22876	0.8
463.20981	0.7
470.16956	0.6
471.22269	7.9
472.23065	6.2
473.19452	4.4
474.20337	1.5
475.16815	0.6
484.18958	2.0
485.19699	3.2
486.20551	6.7
487.21390	2.2
488.22137	1.3
489.22934	1.4
490.19498	3.8
499.21341	10.2
500.22562	4.3
503.24857	4.3
513.18976	1.4
514.19794	0.7
516.21692	1.1
517.22314	3.9
521.25012	0.8
527.21002	2.7
528.21790	1.1
530.22772	0.7
531.23956	12.4
543.23547	1.5
544.21039	1.3
545.22034	0.9
549.25128	1.2
559.23407	100.0
560.23785	3.4
587.22864	17.3
588.22803	0.8
605.23218	0.8
619.25494	96.7
620.25702	3.2
637.26666	11.4
637.39447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07748	0.8
50.12788	1.0
50.46048	1.0
50.87838	0.8
70.02235	2.3
70.02630	1.8
78.64822	0.8
79.05494	1.0
79.99636	0.8
81.07068	1.8
93.94302	0.8
94.06585	1.0
95.08595	1.5
98.21160	1.9
137.13359	0.8
145.70869	0.8
167.46568	0.9
168.08060	0.8
209.10866	0.9
217.41713	0.8
223.01180	0.9
235.12497	1.0
236.15718	0.9
237.10217	1.1
240.38770	0.9
286.81693	0.9
359.13739	1.0
362.16153	1.2
364.42258	0.8
376.17261	1.4
377.17654	2.0
378.18661	2.2
387.16476	1.4
389.18082	1.6
390.18600	0.9
391.19299	4.0
392.20041	3.0
393.21063	5.5
399.15961	2.1
400.17056	2.9
401.17871	4.4
402.18829	1.7
403.19760	1.2
405.20840	2.6
407.22238	8.2
413.17728	2.6
414.18549	4.3
415.19357	7.6
416.20309	2.0
417.21268	1.2
419.22995	1.4
421.20212	4.7
425.17847	1.2
427.19678	1.6
428.20068	2.9
429.15756	1.2
429.21417	6.3
430.21283	2.8
431.18842	2.0
433.20554	1.0
435.21704	6.4
436.22424	1.5
441.16913	1.7
442.17972	3.0
443.18292	3.3
443.22769	3.5
444.18918	5.0
445.20322	3.9
446.21451	1.3
447.05344	0.9
447.17603	1.9
447.22400	1.2
449.19458	1.3
456.19406	1.3
457.20743	5.2
458.20908	3.6
459.18008	2.3
460.18698	1.2
461.19620	1.5
463.21317	2.5
471.22266	6.8
472.22760	3.6
473.19373	6.0
474.20627	2.9
475.16885	1.7
475.22293	1.4
485.19867	4.5
486.20566	6.4
487.21469	3.5
488.22192	1.8
489.18188	1.7
489.23532	2.6
490.13763	1.0
490.19647	5.0
491.20908	2.7
499.21368	9.5
500.22824	4.1
501.23175	1.1
502.19965	1.6
503.24356	3.1
513.19067	6.8
514.19879	1.4
516.21820	1.2
517.22455	16.7
518.21338	1.3
521.25629	1.6
527.20538	4.0
528.21924	1.3
529.22504	1.9
531.24414	11.3
543.23755	1.9
545.21851	1.9
549.24933	7.4
559.23419	73.9
560.23523	2.1
573.19904	1.1
576.24261	1.1
577.24603	3.4
578.25043	1.0
587.22803	15.9
591.25793	4.2
605.24243	9.2
609.27643	1.2
619.25519	74.2
620.25891	2.7
637.26563	100.0
638.27002	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	635.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39096	0.8
67.05507	1.2
69.07070	1.5
71.04282	2.2
77.59998	0.9
81.07022	1.1
93.07082	1.8
95.08639	1.2
98.20911	1.0
99.26118	1.0
161.02254	0.9
197.61055	1.0
206.18457	1.1
206.56888	1.1
316.10931	1.0
333.74155	1.1
336.10968	1.1
401.17706	1.4
402.18552	1.5
403.19186	2.4
404.19907	1.9
405.20697	1.7
415.15390	1.5
416.20480	1.5
417.16342	1.5
417.20734	3.5
419.22461	4.1
429.16949	2.6
430.17731	1.9
431.17966	6.9
431.23648	1.6
432.18793	1.4
433.24194	5.2
443.18643	2.1
444.19455	3.8
445.10477	1.2
445.19901	14.8
446.21042	2.5
447.21884	4.2
458.20755	1.9
459.21848	7.8
460.22751	11.0
461.23685	6.3
477.22839	1.2
488.21640	1.3
505.22330	2.2
517.22589	1.7
519.24219	3.8
531.24017	2.7
546.26044	2.8
547.26935	17.8
575.26428	1.5
577.24365	2.1
584.94086	1.0
591.25964	2.6
606.28314	18.8
607.29114	31.4
635.28632	100.0
636.28961	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	634.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89914	2.2
53.03942	7.4
55.01878	5.1
55.05513	55.5
55.29691	1.8
55.73428	1.8
57.03438	8.5
57.07080	4.2
59.05012	2.8
65.03924	5.9
67.05508	81.3
69.03427	5.9
69.07066	18.0
71.04989	4.9
73.60365	2.1
74.09714	6.9
79.05495	100.0
79.95705	2.2
81.07060	58.7
83.04979	5.5
83.08627	31.1
85.06550	4.9
86.08913	2.1
91.05485	46.7
93.07052	74.9
95.04951	7.9
95.08606	35.6
97.10179	60.9
98.21143	12.6
99.08095	3.5
105.04495	2.5
105.07034	37.0
107.04959	3.4
107.08601	64.6
109.06532	4.4
109.10174	25.9
111.08076	5.0
113.09663	2.3
115.05447	3.0
117.06993	14.9
119.08599	24.3
121.10153	42.8
123.11694	8.1
125.09630	49.2
129.06969	5.0
131.08577	17.1
133.10124	21.2
135.08047	6.7
135.11703	23.0
137.09592	2.5
143.08580	4.8
145.10132	20.2
147.11700	16.8
147.98959	2.1
149.09607	8.5
149.13225	10.4
151.11113	2.4
153.09085	3.5
157.10182	2.2
159.11684	16.2
161.13246	6.1
163.11209	3.6
169.10086	3.7
171.10268	2.2
171.11673	5.1
173.11908	2.1
173.13272	9.8
175.14920	2.8
177.12712	2.8
183.11624	2.4
185.13261	4.2
187.14758	4.9
189.11235	30.9
197.13263	2.1
215.17964	21.9
217.40494	2.1
219.17435	2.3
227.10481	4.0
227.12776	83.6
228.18202	2.0
231.17409	2.7
233.18987	18.4
239.18059	2.1
245.13802	4.5
255.17421	2.4
257.19043	8.0
275.20047	37.8
293.21005	2.0
307.22696	85.1
314.00867	2.0
331.22687	4.0
349.23724	35.1
378.47787	2.1
386.67914	2.3
459.30991	3.6
477.32114	40.9
563.40546	2.4
581.41962	46.2
599.43005	3.3
634.45697	5.7
635.28424	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	634.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.9
54.69067	2.1
55.01868	4.2
55.05514	28.6
57.03433	17.7
57.07067	4.4
65.03910	4.0
67.05507	83.9
69.03436	2.9
69.07072	36.9
69.40086	18.9
71.04984	4.3
77.03887	2.0
79.05495	95.6
81.03414	5.3
81.07061	94.2
83.04979	9.3
83.08620	13.1
85.06518	3.8
90.74535	1.6
91.05486	63.4
93.07047	100.0
94.37072	2.1
95.04980	16.3
95.08606	48.9
96.38333	1.8
97.06529	14.4
97.10114	3.6
98.21324	7.7
99.08056	4.7
105.04536	2.3
105.06373	3.7
105.07037	43.7
107.04933	6.6
107.08607	37.1
109.06532	10.1
109.10174	21.1
111.08058	5.2
115.05454	4.3
117.06998	26.6
119.08584	36.7
121.06508	2.0
121.10146	36.7
123.08092	4.5
123.11683	6.5
125.09584	4.5
128.06189	2.7
129.06958	12.4
130.07771	3.3
131.08582	29.9
133.10138	28.5
135.08035	8.1
135.11682	21.1
137.09633	5.9
141.06989	2.6
143.07034	4.3
143.08556	5.5
145.06378	2.2
145.10124	32.8
147.07967	2.4
147.11694	15.8
149.09625	11.9
149.13240	15.3
151.11183	2.5
155.08568	3.6
157.10103	11.0
159.11710	15.4
161.09631	2.2
161.13261	4.9
163.11125	4.9
163.14862	3.7
165.09196	2.8
169.10159	6.7
171.11693	7.5
172.52139	2.4
173.11931	2.3
173.13255	12.0
175.11177	7.4
177.12730	4.0
181.05676	2.1
183.11731	3.9
185.13220	3.3
187.11174	4.0
187.14799	5.5
191.14346	3.5
195.13777	2.7
199.09590	5.3
201.16341	6.2
211.14781	8.2
213.16391	2.8
215.18030	8.5
229.15913	17.4
233.19054	5.2
239.12814	2.3
247.16917	11.1
247.20291	2.1
255.15887	7.5
257.19189	4.8
261.22104	3.3
269.17523	13.6
275.20074	14.0
307.22690	65.6
321.20633	10.9
335.25845	35.4
349.23712	9.6
367.24692	2.7
388.01807	1.9
390.02515	2.1
439.09229	2.3
487.33957	13.7
501.28510	4.3
501.35721	50.4
541.38403	5.1
581.42255	11.8
599.42822	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	634.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.9
57.07058	0.4
57.27932	0.4
67.05483	1.5
69.56042	1.5
69.56461	1.6
71.08603	0.9
79.05479	1.2
81.07029	1.7
89.06004	1.3
89.14989	0.5
91.05477	1.2
93.07028	1.9
95.04970	0.6
95.08590	1.4
96.79472	0.4
98.20699	0.5
98.21258	1.4
98.98458	1.6
105.07038	0.7
105.93167	0.4
107.08564	0.8
109.10139	0.7
117.07043	0.6
118.06544	5.0
119.08541	0.7
121.06435	0.5
121.10234	0.5
125.00010	6.3
131.08569	0.7
132.08047	1.5
133.08669	1.5
134.09599	0.6
144.07002	0.7
144.08087	13.2
144.09216	0.7
145.10078	0.6
146.09660	1.5
158.09650	5.0
159.10437	2.1
160.11165	1.0
162.09145	2.5
165.09137	0.6
169.10361	0.4
172.11174	4.8
176.10748	1.5
176.14357	22.6
177.11327	0.9
177.14674	0.4
190.12193	0.9
202.15918	100.0
203.16220	1.6
220.16977	82.5
221.17410	1.3
291.23083	0.9
300.13605	68.8
301.13895	1.4
374.17380	0.5
616.37524	5.0
634.38617	21.2
635.38770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79534	0.2
53.03951	0.2
55.05495	1.0
67.05511	3.0
68.05834	0.4
69.03418	0.9
69.07059	0.7
69.74919	0.4
69.75330	1.0
79.05515	1.2
81.03400	0.3
81.07057	1.7
83.05018	0.3
83.08614	0.2
91.05476	1.3
93.07057	1.5
95.04934	0.3
95.08601	1.3
96.08918	0.3
97.10227	0.2
98.20774	0.5
98.21431	0.5
98.98467	2.8
105.07011	1.1
107.08587	0.7
109.06499	0.4
109.10168	1.6
110.10475	0.4
117.07007	0.5
118.06504	1.2
119.08584	0.9
121.10140	0.6
125.00003	7.4
125.09580	0.3
129.07054	0.3
131.08569	0.6
132.08102	0.5
133.08961	0.3
133.10104	0.5
135.11690	0.2
137.09618	0.3
143.08603	0.3
144.08081	10.2
145.08913	0.5
145.10117	0.5
146.09613	0.6
157.10130	0.4
158.09645	4.1
158.10910	0.3
159.10460	1.7
159.11662	0.4
160.11197	0.5
161.13261	0.2
169.10088	0.3
172.11217	3.0
173.11951	0.4
176.14354	9.8
202.15909	91.8
203.16319	1.4
220.16980	9.8
229.14449	0.3
300.13589	100.0
301.14041	1.9
301.21698	0.2
500.30533	0.3
545.76379	0.3
616.38080	1.1
634.39209	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	631.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01868	3.3
55.05504	8.0
57.03426	1.9
67.05501	13.9
69.03440	11.4
69.07067	14.1
70.89911	4.2
70.90257	2.5
71.04987	4.4
79.05495	11.7
81.03403	2.8
81.07063	20.3
81.55794	2.0
83.04988	12.4
83.08633	5.4
89.06019	1.8
91.05474	12.6
93.07050	18.7
95.04968	7.1
95.08611	27.4
97.02871	3.4
97.06536	4.3
99.08102	6.1
105.07051	12.7
107.04989	3.5
107.08595	42.0
109.06519	12.3
109.10178	20.6
111.08089	4.3
117.07029	2.5
119.08574	10.4
121.06521	7.0
121.10150	39.4
123.08064	7.2
123.11702	2.5
125.09644	9.9
128.06194	2.4
131.08577	10.1
133.10162	13.8
135.08054	13.4
135.11694	5.3
137.09641	9.6
139.11214	3.9
143.08591	1.9
145.10152	5.2
147.11694	16.6
149.09630	11.8
149.13261	22.4
150.24159	1.8
151.07590	2.3
151.11189	91.5
153.09096	1.9
158.10921	2.8
159.11752	3.0
159.21996	2.0
161.09561	2.9
163.11188	1.9
163.14836	16.5
165.12773	8.1
171.11708	3.3
173.09612	2.1
173.13242	16.3
181.12254	2.6
187.14755	2.6
191.14314	100.0
207.40115	1.9
209.15361	66.7
221.15410	2.6
261.22333	2.6
291.23297	2.0
334.99759	1.9
442.40140	2.2
474.63297	2.2
545.28979	2.0
631.24969	6.1
631.38647	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	631.42
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63022	1.8
53.03947	2.0
55.05515	8.2
57.07060	2.5
67.05505	14.4
69.03436	11.3
69.07071	7.7
71.04965	2.3
71.59108	2.8
79.05499	17.5
81.03433	6.5
81.07066	24.1
83.04986	11.6
83.08613	4.1
83.93124	2.0
85.06560	2.8
91.05476	18.6
93.07044	16.4
95.04968	6.2
95.08623	18.5
97.06558	4.1
99.08138	3.1
105.07034	15.6
107.04989	4.4
107.07870	2.6
107.08599	47.0
107.09292	3.8
109.06522	9.3
109.10162	20.9
113.69533	1.7
115.05399	2.1
117.07030	4.2
119.08585	12.7
121.06505	4.6
121.10147	36.5
122.07337	3.1
123.08073	8.2
123.11726	3.5
125.06031	2.4
125.09653	8.1
131.08583	8.2
133.10143	100.0
135.08052	14.6
135.11700	8.2
137.09621	52.9
139.11208	2.9
143.08565	4.0
145.10143	6.7
146.07564	2.2
147.11699	8.1
149.09636	11.2
149.13258	21.8
151.07503	2.3
151.11192	44.6
153.09198	2.5
157.10179	2.1
158.10986	3.0
159.08125	2.9
159.11699	3.1
163.14790	10.7
165.12700	4.5
173.13260	13.4
187.11197	2.2
191.14317	87.8
200.04100	2.0
209.15387	42.4
221.15401	4.4
271.16815	2.0
307.22824	3.6
346.85696	1.9
388.85510	2.1
446.43488	2.2
484.60779	2.1
527.69696	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	629.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
54.32683	2.3
55.01870	15.3
55.05513	40.3
57.03439	16.3
57.07082	24.2
58.95860	2.6
60.49240	2.3
65.03918	5.3
67.05505	100.0
68.05856	3.1
69.03431	2.8
69.07067	43.4
71.04987	5.2
71.08641	13.3
72.04483	2.3
74.06075	3.2
79.05494	60.3
81.07056	87.5
83.04985	7.6
83.08622	30.0
85.06523	2.7
85.10175	4.8
89.06027	3.2
91.05476	56.0
93.07049	63.6
95.04968	15.9
95.08607	75.6
97.06516	11.3
97.10168	13.6
98.20746	4.1
98.21409	8.4
99.08097	7.9
103.05495	3.0
105.07026	58.7
107.04958	5.4
107.08588	41.4
109.06503	7.7
109.10149	24.6
111.08048	6.0
111.11683	2.6
112.99999	3.4
113.09653	3.1
117.07025	15.8
119.07777	3.5
119.08581	38.4
121.06480	6.1
121.10153	17.7
123.04435	21.8
123.08046	5.7
123.11712	10.1
124.04770	7.0
125.09630	5.4
129.06989	11.3
131.08577	29.5
133.06462	3.2
133.10127	30.3
135.08023	6.9
135.11703	14.6
137.09598	4.0
137.13202	3.0
139.11165	3.3
143.08557	14.4
145.10135	25.5
147.07968	3.7
147.11647	17.6
149.09619	11.4
149.13283	8.5
155.08569	7.3
157.10106	12.0
159.11714	19.8
161.09633	6.2
161.13269	11.9
163.11223	7.0
169.10132	5.5
171.11679	9.8
173.09631	3.6
173.13246	12.0
175.11194	4.0
175.14868	5.6
183.11659	3.7
185.13263	9.3
187.14825	8.5
189.11295	3.3
189.16315	4.8
191.14262	3.5
191.34142	2.8
197.13133	3.9
199.14847	4.3
201.16370	4.9
203.14349	5.3
205.15862	6.2
207.13722	3.8
214.38585	3.0
217.15961	3.5
219.17465	9.0
227.12839	3.7
237.22192	4.0
239.18013	4.3
257.18991	6.4
263.16394	7.9
264.16696	4.4
273.18546	4.5
275.20010	32.0
277.21652	3.4
281.17447	8.5
282.17801	8.2
291.19647	3.3
293.21207	4.3
313.27438	8.7
314.27765	9.7
317.24719	7.5
335.25601	3.1
337.20035	3.0
337.27322	32.8
338.20554	4.1
349.23746	19.8
373.27374	10.0
517.38904	47.2
518.39178	4.2
531.40234	7.3
537.42706	5.5
555.43756	5.4
557.41345	14.3
576.43567	19.2
594.44287	3.6
611.46790	47.6
629.38116	5.4
629.47607	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	629.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07126	0.8
66.92461	0.7
67.05544	1.5
70.76827	0.6
71.59506	0.8
74.11440	0.6
79.05534	1.0
81.03467	1.2
81.07099	2.2
89.06056	1.2
91.05545	0.9
92.06557	0.7
93.07095	0.9
95.08678	1.0
105.07069	0.9
133.10193	1.3
135.08121	0.9
156.18916	0.7
171.11876	0.7
188.11371	0.8
292.19150	1.0
339.81714	0.7
410.14072	1.3
411.14737	1.6
423.14777	0.9
424.15631	2.0
425.16138	5.2
426.17133	3.5
427.17761	2.6
437.16852	1.4
438.17569	1.2
439.17993	8.0
440.18515	9.3
441.19269	2.4
442.20370	1.3
452.14136	4.7
453.15460	29.3
454.15817	3.3
454.20313	3.9
455.14383	1.8
455.20828	36.0
456.21088	3.6
465.15948	1.0
466.16470	2.5
467.16977	36.2
468.17578	12.3
469.17981	0.9
481.18842	8.4
482.19186	46.9
483.19589	6.5
485.18143	1.5
486.18924	1.3
495.20108	1.2
496.20441	1.1
500.20380	1.1
509.21323	1.1
510.21106	0.8
513.21417	1.8
514.21838	2.0
523.21796	1.7
524.21454	2.2
525.22589	3.2
526.22284	0.9
528.23413	3.2
541.25098	3.8
553.22095	39.0
554.21753	2.6
569.23981	100.0
570.24286	6.6
597.22760	2.3
600.21991	2.1
601.26984	3.6
629.25818	86.9
630.26239	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2245
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
57.66665	0.5
69.94611	1.9
88.89940	0.4
97.49055	0.5
98.21219	1.2
131.18800	0.5
244.11777	0.6
276.20535	0.5
396.12381	1.7
397.12991	2.8
398.13837	1.6
399.14703	1.0
400.15259	1.1
409.13419	0.8
410.13907	2.9
411.14590	6.8
412.15421	5.1
413.16251	5.1
423.14612	1.8
424.10699	0.9
424.16095	3.0
425.16324	15.6
426.16943	10.5
427.17764	3.0
428.18546	3.4
429.19513	0.9
437.16678	0.7
438.12326	3.2
438.18054	0.9
439.13559	20.6
440.13611	0.9
440.19156	7.8
441.19305	38.5
442.19662	2.0
451.13705	0.7
452.14322	3.6
453.15417	25.1
454.15976	5.7
455.21579	0.7
456.17963	1.9
459.19986	0.6
466.17078	1.0
467.17139	27.5
468.17920	20.4
469.18826	11.1
470.18689	1.0
471.16776	1.8
472.17572	1.0
480.17551	0.8
481.14661	11.5
482.14856	2.3
484.22003	3.3
485.18414	2.6
486.18967	0.5
495.16919	1.7
496.17145	11.6
497.17587	2.3
498.18890	1.0
499.19592	1.6
500.20721	4.9
508.19998	0.6
509.17957	1.0
510.18710	0.6
512.21130	2.5
513.21930	5.7
514.22607	0.7
523.19598	1.7
524.20355	0.6
525.21429	0.7
526.18500	1.2
527.18860	0.8
528.19904	1.5
531.22363	0.6
537.17841	0.9
541.20874	46.2
542.21460	2.3
551.18665	0.7
553.20789	1.3
554.17572	0.5
559.21698	0.6
569.20294	100.0
570.20538	5.0
572.18097	1.1
573.23804	2.5
583.21167	0.7
597.19745	28.8
598.19519	1.1
600.22089	1.6
601.22955	14.5
611.21216	0.9
615.20087	0.6
629.22260	69.7
630.22668	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	628.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.2
55.01870	7.4
55.05502	10.5
57.03435	6.7
57.07078	29.7
65.03943	4.1
67.05506	35.7
69.03424	4.1
69.07072	17.1
69.37202	20.4
69.72865	2.2
71.04996	2.8
71.08634	19.3
74.09723	5.2
79.05488	13.9
81.07060	29.2
83.04974	2.6
83.08621	11.9
85.10184	8.6
87.04475	3.1
89.06033	10.4
90.55072	1.8
91.05483	9.9
93.07066	13.6
95.04960	7.7
95.08614	28.5
97.02888	5.2
97.10172	5.4
98.20771	4.7
105.07021	18.7
107.08575	8.4
109.06533	3.8
109.10171	15.6
111.04432	9.7
117.07044	2.5
119.08599	12.9
121.06523	4.5
121.10178	11.0
123.04433	100.0
123.11731	5.0
129.07030	4.0
131.08603	5.4
133.06522	4.0
133.08569	4.0
133.10117	21.2
135.08040	7.4
135.11690	9.6
135.12608	2.1
136.03947	5.9
137.06012	6.0
137.13268	2.7
143.08585	4.4
145.10121	4.9
147.08046	13.4
147.11699	14.7
149.09605	4.0
151.07553	2.7
157.10139	2.5
161.09636	15.0
161.13306	4.3
165.09166	4.5
167.10722	2.6
171.11694	3.1
175.11203	4.4
179.10582	2.5
189.16371	22.9
199.14832	8.5
207.17451	3.0
208.38763	2.5
217.15881	13.2
235.16933	5.5
263.16428	38.7
281.17502	58.5
282.17508	2.4
313.27380	68.1
337.20087	32.1
355.21176	12.3
404.12125	2.4
517.38806	3.4
575.43085	69.8
576.43433	2.8
593.44202	20.8
628.37024	8.8
628.46423	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	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35669	1.5
51.02373	1.9
53.00315	1.5
53.03952	7.9
53.31202	1.5
55.01874	8.4
55.05510	33.3
56.77210	1.5
57.03440	24.2
57.07071	5.3
57.61161	1.4
58.42970	1.6
59.05042	1.5
65.03943	5.7
66.44291	1.5
67.05506	99.0
69.03436	2.2
69.07070	36.8
71.04985	10.7
71.12154	3.5
71.12486	1.7
77.03936	1.6
79.05495	79.4
81.03415	2.3
81.07059	100.0
83.04977	6.4
83.08620	21.1
85.06545	5.5
91.05484	69.2
91.06074	1.9
93.07046	85.4
95.04973	10.0
95.08607	74.0
95.09235	3.0
97.06532	14.8
97.10165	10.5
98.21140	2.6
99.08092	11.4
105.07034	68.0
107.04978	4.6
107.08600	47.5
109.06524	7.2
109.10172	27.3
109.29803	1.6
111.08090	6.1
111.49865	1.6
113.09660	6.7
115.05466	5.5
117.07023	29.0
119.08585	51.5
121.06529	4.6
121.10149	33.9
123.08097	6.1
123.11688	9.9
124.02492	1.5
125.09635	7.6
128.06253	2.9
129.07007	18.6
130.07907	2.2
131.08569	41.4
131.09514	3.1
133.10136	40.9
135.08047	4.3
135.11703	22.9
137.09647	4.2
137.13220	2.0
139.11168	2.5
141.06992	5.2
142.07800	4.8
143.08563	23.0
144.09361	2.0
145.10129	44.9
147.11681	27.8
149.09612	10.1
149.13252	9.9
151.11195	5.1
155.08562	13.1
156.09323	2.8
157.10123	17.4
159.11697	37.6
161.09763	2.5
161.13295	16.4
163.11209	5.1
163.14853	2.5
167.08580	3.5
168.09357	2.3
169.10165	15.6
170.10849	1.8
171.11690	17.7
173.13263	19.3
175.11259	3.5
175.14812	8.0
177.12769	3.5
179.08623	1.7
181.10170	6.3
183.11732	15.8
185.13251	21.9
187.14775	10.3
189.11285	3.4
189.16470	3.0
191.14380	1.7
193.10133	2.1
195.11710	5.5
197.13235	14.5
199.14839	10.4
201.16458	7.8
203.14363	6.5
205.15933	6.4
209.13333	3.9
211.14871	7.0
213.16493	5.5
215.17972	3.1
219.17441	13.4
221.13348	2.5
223.14908	3.1
225.16368	5.0
226.24321	1.6
227.12816	3.5
229.19614	3.3
235.14967	2.9
237.16402	4.0
239.18034	4.2
241.19542	4.4
243.21068	2.6
247.20706	2.1
257.19040	10.6
259.20624	7.6
261.19119	1.8
261.22238	6.5
265.19489	2.2
271.20532	2.6
273.18597	3.7
275.20050	43.2
277.21667	3.4
283.20261	2.0
293.21259	4.8
301.21539	2.5
311.23706	2.5
315.23395	2.4
317.24631	3.8
325.25632	2.0
331.22696	4.1
333.24380	5.4
335.25854	34.6
349.23700	22.4
351.25446	3.7
409.30832	2.7
413.30664	2.1
423.32654	2.3
449.33490	2.2
462.70361	1.9
463.35788	3.5
499.39380	1.9
513.39111	2.5
515.37366	6.7
517.40472	6.6
529.38971	6.2
535.41431	11.0
537.39368	1.9
541.39124	4.8
543.40247	3.2
553.42633	7.1
555.40479	21.8
569.42163	2.0
591.44092	3.6
609.45154	58.8
610.45758	2.5
627.46173	85.2
628.46490	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	627.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.2
67.05508	12.1
69.07057	6.3
71.18936	2.1
71.59038	4.0
79.05497	9.3
81.07055	12.6
83.08630	2.1
91.05474	11.0
92.05799	2.0
93.07037	11.0
94.97838	1.7
95.04968	3.4
95.08614	9.1
95.60786	2.2
97.10136	2.5
103.30083	1.9
105.07016	7.8
107.08596	5.0
109.06518	2.0
109.10145	3.3
117.06995	2.2
119.08593	7.0
121.10130	6.1
129.44484	2.1
131.08575	3.7
133.10120	3.7
136.23912	1.8
145.10121	2.8
147.11708	3.1
159.11674	3.7
180.79172	2.1
219.17494	2.6
275.20053	6.5
278.12534	2.0
317.24146	2.1
335.25708	5.2
349.23700	3.0
352.17639	2.3
353.17905	5.4
367.19272	6.0
379.19257	2.1
381.16824	3.5
381.20950	3.6
395.18466	2.5
409.20294	3.1
410.20773	2.2
411.21881	5.2
412.22348	2.7
422.20831	3.9
425.19672	6.3
437.23682	3.5
439.21176	5.7
440.22037	2.8
453.23077	2.9
470.22858	2.4
480.40399	2.2
481.21844	2.3
483.24078	3.1
497.20496	2.9
497.25024	10.1
498.26349	2.7
509.25174	2.8
526.25616	2.0
529.38232	2.2
541.28046	14.3
583.29138	16.5
584.26245	13.8
585.27032	100.0
586.27319	3.7
609.44568	5.7
627.28174	54.2
627.44995	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	627.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89158	1.0
67.05499	1.9
70.06565	1.0
71.41479	1.0
78.52860	1.1
79.05487	1.4
84.63189	1.1
87.16774	0.9
91.05508	1.7
93.07055	1.4
96.98804	1.0
98.21118	5.5
107.08569	1.0
119.08601	1.2
120.04426	1.5
120.08105	1.2
130.06570	1.1
131.07332	1.3
131.08510	0.9
136.07578	1.8
145.10149	1.1
158.08380	1.1
172.07602	1.3
174.09195	4.3
186.09326	1.3
187.12335	5.7
188.10760	3.5
197.10809	2.2
198.09296	1.4
199.08684	1.6
211.08781	1.7
212.09451	1.5
213.10167	1.1
215.11827	3.5
225.10301	3.1
227.11755	2.4
235.08716	1.2
239.11874	2.9
241.13382	3.1
243.11319	27.6
249.10161	1.4
251.11826	1.1
253.09805	1.7
263.11975	1.2
267.11203	6.2
277.09689	1.7
285.12433	1.6
288.11404	1.6
289.13132	1.1
291.11063	1.3
291.25485	1.4
295.10803	3.5
300.11328	1.1
301.15567	2.5
309.12369	2.1
314.12823	1.2
316.11057	1.3
316.14407	1.3
320.14178	1.6
325.15515	13.0
327.13611	3.2
328.10852	2.5
328.14410	2.4
329.11801	1.8
330.12476	4.3
334.15482	1.2
342.12515	4.0
342.16284	1.2
343.13184	3.4
344.13965	4.0
345.14880	1.9
346.15500	3.6
348.13275	5.3
354.12350	1.8
356.14008	4.7
357.14557	2.0
358.15610	4.2
362.14954	1.1
370.15723	2.3
372.17130	5.1
374.14914	1.7
386.14746	1.7
386.18994	2.3
400.16687	3.1
403.15942	2.4
404.17133	1.8
408.15811	1.7
412.16528	1.2
415.15970	1.4
417.17206	1.7
418.18353	2.0
419.18799	2.1
420.16656	1.2
432.19339	3.6
435.14047	1.9
437.20020	2.9
447.21872	3.3
449.15616	1.6
449.20715	1.7
450.16553	2.4
451.17142	2.2
460.18930	1.8
461.23447	2.4
462.24124	4.4
463.21423	4.4
465.18842	15.2
475.20950	1.1
476.20221	1.3
477.19342	2.1
478.19934	2.2
479.20609	6.0
480.21667	5.8
481.22427	3.6
490.20819	1.7
492.21503	3.5
493.22446	4.0
504.21152	1.7
507.24231	5.2
508.21393	2.0
514.16833	1.2
517.22369	2.4
520.21277	1.6
535.23517	9.5
537.21948	1.7
539.26373	1.5
541.24036	2.4
549.24927	13.8
567.26025	87.2
568.26654	5.4
577.24603	3.3
595.25519	100.0
596.25806	5.0
609.27271	1.5
621.91553	1.2
627.28174	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2811
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
67.05502	0.9
69.81010	0.6
70.02957	0.5
70.98456	1.5
72.94324	0.6
79.05489	1.0
81.07061	1.3
84.76759	0.6
91.05470	1.7
92.33057	0.6
93.07056	1.2
94.06545	0.6
102.18802	0.6
105.07063	0.9
108.08116	1.1
110.26438	0.7
113.61164	0.6
119.08611	0.7
120.04488	0.7
125.51870	0.6
130.06523	0.6
136.07578	1.4
143.08572	0.6
146.09692	1.5
159.09261	0.6
171.09248	0.7
172.07582	0.8
174.09161	5.5
184.09900	0.9
185.07193	0.6
186.09233	1.0
187.08720	1.4
187.12288	4.6
188.10806	2.7
190.04974	0.7
197.07112	1.6
197.10910	0.8
198.09250	1.3
199.08630	1.0
200.09357	0.9
211.08751	1.9
212.09369	1.3
213.10231	0.9
215.11745	3.5
223.08662	0.8
224.09438	1.2
225.10225	3.8
226.10999	1.3
227.11775	4.2
235.08693	1.0
237.10229	1.5
238.10999	1.0
239.11794	3.5
241.09932	0.7
241.13417	2.4
243.11307	25.5
244.11569	1.3
249.10266	1.7
250.11168	0.7
251.11928	2.0
252.08986	1.7
253.09746	1.6
255.11346	0.6
263.12009	0.8
265.09683	1.1
267.11313	8.3
269.09958	0.9
269.12811	3.1
271.10773	0.8
275.11850	0.6
277.09818	2.6
279.11432	0.6
285.12457	3.1
288.11743	0.7
291.11377	0.8
293.12973	1.2
295.10764	3.0
299.14148	1.6
300.11722	0.9
301.12305	1.2
301.15558	3.0
302.13049	1.0
304.10950	0.9
305.11865	0.7
309.12491	2.4
313.12042	0.8
314.13013	2.2
315.13995	0.7
316.10974	1.6
316.14145	1.2
317.11795	0.7
318.12387	1.0
319.10779	1.2
319.14249	0.7
320.14322	0.7
325.15460	9.6
326.12988	1.1
327.13519	6.5
328.10950	2.2
328.14636	1.3
329.11618	2.2
329.15210	1.1
330.12552	2.4
330.16147	1.0
331.13324	0.9
334.15692	2.1
340.10983	1.3
341.11642	1.3
342.12463	3.8
342.16068	1.1
343.13065	4.3
344.14066	3.1
344.17627	1.1
345.15021	1.1
346.15555	2.4
348.13422	3.5
351.13577	0.9
353.15036	1.1
354.12393	1.2
354.16248	0.9
355.12927	1.1
356.10385	0.7
356.14023	3.8
357.14917	2.2
358.15567	4.3
359.16156	1.1
368.13922	0.9
370.11459	1.0
370.15686	3.3
371.12390	1.3
371.16492	1.6
372.17203	5.6
373.17865	0.9
374.14981	1.1
384.13016	1.3
384.17288	1.2
385.18008	1.1
386.14453	1.0
386.19141	3.5
398.14816	0.7
400.16498	3.6
403.16278	1.9
405.17505	1.1
407.14865	1.1
408.16824	0.9
412.16602	1.7
417.16772	0.8
418.17630	1.7
419.18701	1.7
420.16800	1.2
421.16718	1.6
423.18127	0.8
428.16223	0.7
430.17737	1.6
431.18719	1.6
432.19519	4.2
433.20816	1.2
434.17896	1.2
435.09317	0.7
435.14548	2.6
436.20465	0.8
437.19861	2.3
447.21793	2.9
448.20313	0.8
449.15817	1.8
449.20819	1.3
450.16504	1.3
451.17578	2.3
460.18597	1.1
461.23383	2.5
462.23944	2.8
463.22296	3.4
464.22614	0.7
465.18896	14.6
466.19489	1.3
467.21759	0.7
474.20447	0.8
475.21616	1.0
477.19363	1.2
478.20227	2.4
479.20807	8.4
480.21420	4.4
481.22314	3.2
489.22684	2.1
490.21927	1.4
491.20764	1.1
492.21588	2.9
493.22720	4.2
494.23087	0.9
504.21194	2.3
505.23056	0.9
506.22995	1.9
507.24026	5.0
508.22327	1.0
517.22217	2.6
520.21106	1.1
521.26245	1.5
534.23248	0.8
535.23468	7.3
540.23334	0.9
541.23981	2.4
549.25031	13.0
552.23450	1.3
553.24646	2.6
554.69196	0.7
563.23022	1.0
567.26044	66.5
568.26147	2.5
577.24408	1.7
595.25500	50.6
596.25836	2.3
609.26538	1.2
624.09741	0.8
627.28107	100.0
628.29218	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	627.2813
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
58.02675	0.3
67.05509	0.3
71.57780	0.3
86.38895	0.3
94.62727	0.3
95.08630	0.3
116.66110	0.3
124.82500	0.3
180.65956	0.3
272.25018	0.4
288.14447	0.3
377.17734	0.8
379.19153	0.7
390.18436	0.4
391.19257	1.3
392.20261	0.7
393.20847	1.8
395.22247	0.4
405.16608	2.3
405.21750	0.6
406.17682	1.6
407.17938	0.6
407.22864	3.2
408.23318	0.7
419.18411	3.2
420.19397	2.1
421.20291	4.1
422.21054	0.4
423.21960	1.5
433.20309	4.3
434.21350	4.0
435.22040	5.7
436.22491	0.8
447.21909	0.9
448.18692	0.7
449.19623	6.5
450.20297	0.4
451.21552	0.7
462.20697	0.8
463.21237	2.9
464.22134	2.0
465.19113	0.9
467.24777	0.6
468.25046	0.5
476.22162	0.5
477.23120	0.9
479.20145	2.2
480.21521	0.7
481.22040	2.1
492.21262	0.4
493.22290	1.7
494.23242	3.0
495.23816	2.5
496.23874	0.5
507.24054	9.7
508.24823	0.6
509.25858	0.5
521.25085	0.6
526.25372	0.8
535.23077	0.7
536.24146	0.4
539.22278	2.6
549.24823	0.9
553.24493	0.6
567.26099	16.3
568.26581	1.3
595.25214	0.4
598.23676	0.5
627.28131	100.0
628.28503	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	627.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93960	0.2
53.03954	0.5
55.01876	0.3
56.96575	0.3
57.03444	0.4
57.07554	0.2
61.02940	1.1
68.99796	0.5
69.03425	2.2
70.06598	1.8
70.18471	0.9
70.79268	0.2
71.04994	0.4
72.08178	0.4
81.03417	1.3
84.04475	0.3
85.02905	6.2
89.03928	0.3
91.03975	0.4
95.04940	0.2
97.02894	2.1
98.21407	0.3
99.04441	0.6
105.74950	0.2
109.02866	0.8
111.00809	0.8
111.68494	0.2
117.03380	0.3
121.02867	0.8
123.04459	0.3
127.03924	1.6
129.62187	0.2
135.04425	0.6
137.02351	2.5
145.02859	0.6
145.04951	1.2
149.02347	0.4
153.01840	3.2
161.05928	0.3
163.03941	2.1
165.01855	1.9
173.05981	0.3
177.05446	0.7
178.05835	0.3
183.02866	0.9
201.05525	1.6
229.04958	3.7
243.02658	0.2
247.06071	0.7
257.04401	2.8
272.68204	0.2
274.04596	0.7
285.03940	1.1
303.04993	100.0
304.05273	1.8
319.04489	1.4
343.45114	0.2
465.10333	6.5
466.10565	0.3
471.20486	0.3
642.87347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2813
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.18546	1.4
53.03944	1.5
55.01871	1.9
55.05510	3.0
56.95587	1.0
67.05506	8.8
69.07063	4.2
71.58697	1.6
72.35837	1.0
79.05501	7.8
81.07062	9.6
83.08638	3.8
91.05479	7.1
93.07042	7.9
95.04951	1.1
95.08607	5.3
105.07040	4.9
107.08588	3.3
109.10174	3.0
117.07058	2.2
119.08592	6.4
121.10179	4.3
123.08031	1.6
131.08597	3.2
133.10129	2.9
135.11739	2.9
141.09869	1.3
143.08583	2.3
145.10144	2.7
147.11656	2.8
149.13278	1.8
157.10178	1.5
159.11693	2.4
169.56740	1.1
171.11668	1.2
173.13261	1.3
187.14922	1.7
275.20001	1.8
335.25842	2.2
367.19302	1.8
379.85791	1.2
391.19107	1.3
395.18591	2.4
409.20871	1.9
419.18533	1.5
420.19131	2.0
421.20258	3.0
435.21451	2.6
437.23611	3.2
438.20770	3.0
447.22266	1.5
449.23407	6.1
450.24365	1.7
453.22754	13.2
461.23874	1.9
463.25375	2.1
465.23291	1.9
467.24142	1.9
469.26233	2.6
475.21106	7.0
476.21649	2.1
493.21933	1.5
497.25702	6.3
503.20676	2.6
507.23767	2.7
511.26880	2.0
512.27814	4.0
522.26447	5.0
523.27216	8.9
525.24835	6.7
531.23669	1.5
539.26392	3.3
540.27209	30.7
549.25220	5.6
551.26324	2.1
567.26080	10.8
581.26971	1.4
591.26105	3.4
595.25885	1.9
609.27106	8.6
609.45349	5.5
627.28064	100.0
627.44391	9.7
628.28589	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	627.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93960	0.2
53.03954	0.5
55.01876	0.3
56.96575	0.3
57.03444	0.4
57.07554	0.2
61.02940	1.1
68.99796	0.5
69.03425	2.2
70.06598	1.8
70.18471	0.9
70.79268	0.2
71.04994	0.4
72.08178	0.4
81.03417	1.3
84.04475	0.3
85.02905	6.2
89.03928	0.3
91.03975	0.4
95.04940	0.2
97.02894	2.1
98.21407	0.3
99.04441	0.6
105.74950	0.2
109.02866	0.8
111.00809	0.8
111.68494	0.2
117.03380	0.3
121.02867	0.8
123.04459	0.3
127.03924	1.6
129.62187	0.2
135.04425	0.6
137.02351	2.5
145.02859	0.6
145.04951	1.2
149.02347	0.4
153.01840	3.2
161.05928	0.3
163.03941	2.1
165.01855	1.9
173.05981	0.3
177.05446	0.7
178.05835	0.3
183.02866	0.9
201.05525	1.6
229.04958	3.7
243.02658	0.2
247.06071	0.7
257.04401	2.8
272.68204	0.2
274.04596	0.7
285.03940	1.1
303.04993	100.0
304.05273	1.8
319.04489	1.4
343.45114	0.2
465.10333	6.5
466.10565	0.3
471.20486	0.3
642.87347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.7
53.03936	10.8
55.01861	8.7
55.05294	3.4
55.05513	35.8
57.03449	6.2
57.07072	15.6
65.03942	3.8
66.87171	2.7
67.05173	4.8
67.05508	74.5
69.03402	3.1
69.06767	2.7
69.07075	26.1
69.40176	23.7
71.08620	10.2
73.06573	3.3
79.05494	68.4
81.07062	86.6
83.08613	13.1
84.67725	3.0
85.10149	3.9
87.04449	3.2
89.06041	27.2
91.05484	93.5
93.06555	4.3
93.07058	59.8
95.04973	11.7
95.08606	60.9
97.06490	7.2
97.10164	12.2
98.20798	7.3
98.21490	7.3
103.05456	6.3
105.07034	68.9
107.04962	5.0
107.08598	32.2
109.06498	9.7
109.10157	18.3
111.08080	3.9
115.05425	13.0
116.06255	5.5
117.06214	3.8
117.07023	55.2
118.26156	3.2
118.54952	3.2
119.06047	2.7
119.08587	42.4
121.06480	4.8
121.10165	24.5
123.08069	8.4
128.06233	31.3
129.07033	32.1
130.07794	7.6
131.08577	84.3
133.06459	8.5
133.08600	11.3
133.10155	21.9
135.08058	5.7
135.11690	12.4
137.09586	3.1
139.48399	3.0
141.06972	9.5
142.07773	8.2
143.08565	79.4
145.10130	100.0
147.08047	9.2
147.11662	11.2
149.09526	3.8
149.13257	6.6
155.08530	5.7
157.10155	29.8
159.08055	4.3
159.11723	33.0
161.09605	12.5
163.11293	4.3
167.08521	5.7
169.10101	15.3
171.11699	26.4
173.09561	3.7
173.13217	7.3
175.11153	6.4
177.11288	4.4
177.12753	5.0
181.10138	12.2
183.11711	10.0
185.13283	9.6
187.11327	4.9
195.11690	19.7
199.11252	3.8
209.13203	4.1
225.88933	3.0
227.17957	8.3
237.16400	20.2
245.19017	9.6
255.17477	18.1
261.22131	4.5
273.18481	67.6
329.21255	4.1
335.25784	72.4
335.29791	4.8
347.22211	26.1
401.95880	3.0
420.15472	3.5
488.97867	3.1
544.48547	4.2
607.43292	11.4
625.44751	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	625.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.0
67.05511	3.6
69.07095	0.9
69.54282	1.9
69.54708	2.9
79.05499	2.5
81.07068	1.1
83.08636	1.0
85.06593	0.6
91.05473	1.9
93.07061	1.4
95.04945	1.3
95.08617	1.8
98.20744	1.2
105.07038	1.8
109.06511	0.6
109.10163	0.9
119.08615	1.4
131.08589	0.7
133.10097	0.9
139.69031	0.6
143.08563	0.9
273.18454	1.1
377.17587	0.7
390.18491	0.7
391.19400	1.6
392.19818	1.4
393.20844	1.7
399.29019	0.6
405.17160	2.5
405.21494	1.0
407.22519	4.6
408.22739	0.8
419.18268	3.5
420.19598	2.1
421.20251	2.7
431.18484	1.5
433.19794	4.8
434.21262	3.6
435.21881	6.8
437.23679	0.7
445.20581	0.7
447.21973	2.0
449.19751	3.1
451.25302	1.3
460.22614	0.9
461.23413	1.8
462.24426	1.0
463.20865	1.3
464.22122	1.7
465.22934	2.5
477.22992	1.4
478.23517	5.2
479.25171	4.1
491.24600	1.3
505.26422	0.9
519.24933	0.8
521.25525	10.4
523.23254	0.9
527.37311	2.4
547.27246	1.5
565.28217	19.9
565.37109	1.1
566.28479	0.9
581.27722	2.6
607.29382	0.7
625.30212	100.0
626.30688	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	625.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
57.49662	0.3
67.05499	1.6
69.07071	1.1
70.67093	1.0
79.05529	1.8
81.07037	2.1
83.08627	0.4
91.05499	1.6
93.07043	1.6
95.08621	1.3
97.10176	0.4
98.21055	0.7
99.88478	0.3
105.07043	1.4
107.08610	0.9
109.10159	0.7
112.02052	0.3
117.07083	0.5
119.08633	0.8
120.51517	0.3
121.10149	0.7
129.06937	0.5
131.08571	0.7
133.10127	0.5
143.08559	0.4
145.10129	0.5
147.11705	0.6
155.08617	0.5
157.10143	0.7
159.11777	0.7
169.10182	0.5
188.67255	0.4
237.16400	0.5
242.29645	0.4
271.14465	0.5
273.18582	1.0
275.20023	0.6
315.64380	0.4
335.25998	0.5
347.22247	0.4
376.17032	0.5
377.17834	1.1
379.19598	0.5
390.18555	0.7
391.19391	2.0
392.20004	0.5
393.20859	1.1
404.15991	0.4
405.16602	0.7
405.21030	1.4
407.22443	2.4
418.17703	0.6
419.18658	1.4
419.23291	0.6
420.19470	0.7
421.16541	0.9
422.17471	0.7
423.17816	0.5
431.18619	0.5
433.20346	4.3
434.21143	1.2
435.17084	0.5
435.21872	2.3
436.18903	1.3
437.19852	2.6
447.22159	0.8
448.14893	0.4
449.15540	4.7
450.16321	0.9
451.21490	6.7
452.22089	1.1
461.23810	0.4
462.16815	0.4
463.17130	5.5
464.18115	2.3
465.18921	2.2
476.18619	0.5
477.18881	3.3
478.19977	8.6
479.20697	9.6
491.20975	3.2
492.21643	1.0
505.22766	1.9
506.23145	0.6
509.22498	0.4
510.22934	0.5
521.26135	1.6
523.20068	1.5
524.24188	0.4
533.21710	0.8
537.25598	2.4
550.22089	0.7
565.24475	30.4
566.24908	0.8
579.33575	0.5
593.24164	0.8
597.26990	0.8
607.43268	0.9
625.26563	100.0
625.43976	2.8
626.26654	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
67.05513	2.3
67.08582	0.9
69.07092	1.0
70.03030	2.4
70.03443	2.6
72.33456	0.9
73.98522	0.9
79.05488	2.6
81.07040	3.1
91.05472	2.4
93.07043	2.0
95.08587	1.2
95.14095	0.8
96.20561	1.0
98.21503	1.0
101.91803	1.0
105.07044	2.0
119.08573	2.7
122.68067	1.2
133.10130	1.9
145.10204	1.0
160.18718	1.0
167.01349	1.0
181.54749	1.2
226.67657	1.1
291.29523	1.1
377.17459	1.5
378.19070	1.3
390.18469	1.6
391.19202	5.6
392.20294	3.4
393.20779	1.3
403.19965	1.1
404.20163	1.9
405.20795	11.2
406.21387	2.9
407.22308	6.0
417.21106	1.2
419.22571	5.2
420.22870	4.6
421.23782	9.2
422.24796	1.3
433.23923	3.2
434.24765	2.5
435.18341	2.6
436.18964	3.0
437.19760	1.7
449.19598	2.2
450.20490	2.0
451.21271	22.8
452.21948	6.9
461.23807	1.5
463.21237	1.4
464.22144	2.3
465.22815	17.9
466.23569	3.4
473.19806	1.6
475.25150	1.7
477.26828	1.9
479.24301	2.6
487.21429	1.6
491.20660	1.9
492.21255	2.1
493.26013	14.2
494.26755	2.5
501.81656	1.1
503.24335	8.7
505.22461	1.8
508.20853	1.5
509.21872	4.5
521.25513	9.4
523.23505	10.3
537.25061	6.6
538.25745	23.7
547.23334	3.3
565.24518	11.2
566.25433	4.6
581.27612	8.9
607.25385	7.8
625.26526	100.0
625.44012	2.8
626.26538	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.4
59.45854	0.1
61.02930	4.6
66.06905	0.2
68.99828	0.2
69.03416	0.7
70.06590	1.2
70.09631	0.4
70.10029	0.3
71.01355	0.2
71.05000	0.8
72.08167	0.2
73.02921	1.2
78.06533	0.1
80.63810	0.1
81.03424	0.2
84.04507	0.1
84.08150	0.4
85.02911	4.9
86.09704	0.5
91.03958	2.3
92.02627	0.4
93.03413	0.6
97.02904	2.2
98.21469	0.2
99.04462	0.4
105.44761	0.1
109.02847	0.3
114.44630	0.1
120.08107	0.2
121.02883	0.7
123.29710	0.2
126.03127	0.3
127.03931	0.9
129.05553	0.2
130.05005	0.3
135.04433	0.2
137.02330	0.3
137.05885	0.1
138.61200	0.1
139.03894	0.5
145.04950	0.3
151.03891	0.7
153.00711	0.2
153.01833	5.1
163.03847	0.2
165.01848	0.7
177.05544	0.2
183.02946	0.2
201.05463	0.4
217.05002	0.3
218.05763	0.5
227.17166	0.2
228.04227	0.9
229.04976	2.0
245.04587	0.5
246.05217	1.3
256.03516	0.2
257.04462	2.2
260.03265	0.2
261.07547	0.2
273.03952	1.0
274.04745	3.4
284.03339	0.3
285.03961	3.9
287.05524	0.3
288.06094	0.2
301.03555	0.2
302.04227	11.9
317.06567	100.0
318.06943	1.8
383.07758	0.2
407.07910	0.2
435.06985	0.2
463.12399	6.1
464.12686	0.2
569.53644	0.2
624.89673	0.2
625.22235	0.2
625.32623	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1759
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03938	0.5
55.01869	0.3
57.03421	0.6
58.33025	0.2
61.02931	1.3
69.03431	2.4
70.06580	0.3
70.43806	0.5
70.44136	0.1
71.04994	0.7
73.02907	0.4
81.03420	1.3
84.04456	0.1
85.02903	6.9
87.04456	0.2
91.03943	0.3
92.02628	0.5
93.03395	0.5
97.02891	2.4
99.04423	0.4
109.02863	0.7
111.00806	0.1
117.89994	0.1
121.02879	0.7
126.03132	0.2
127.03940	1.1
129.05443	0.3
135.22888	0.1
137.02335	0.5
139.03882	0.6
139.04877	0.1
145.04961	0.9
151.03897	0.8
153.01823	5.0
163.03906	0.2
165.01855	0.4
177.05437	0.3
183.02916	0.1
196.64415	0.1
201.05527	0.4
203.03412	0.2
215.71814	0.1
217.04973	0.4
218.05763	0.3
228.04156	0.8
229.04980	2.3
231.02834	0.3
245.02216	0.2
245.04402	0.8
246.05150	1.0
252.01230	0.1
256.03775	0.2
257.04446	2.1
260.03506	0.3
261.07477	0.3
271.06058	0.3
273.03949	1.3
274.04715	3.7
279.78406	0.2
284.03217	0.5
285.03922	3.8
287.05243	0.2
288.06317	0.2
299.05576	0.1
302.04218	11.8
303.04514	0.2
317.06546	100.0
318.06924	1.9
359.07730	0.2
407.07651	0.3
421.33899	0.2
435.07254	0.2
463.07074	0.2
463.12338	4.2
495.45197	0.2
625.22858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61669	1.2
53.03931	1.9
53.71107	1.4
55.05511	9.9
57.03434	2.6
57.07071	5.0
62.67784	1.5
67.05503	13.6
69.03442	8.9
69.03754	1.3
69.06719	2.1
69.07072	26.8
70.38715	1.3
71.05001	2.0
71.08628	1.8
73.65125	1.4
79.05495	6.9
81.03418	4.4
81.07054	42.0
83.08611	20.4
85.02897	12.9
86.09699	1.8
87.00824	4.9
91.05473	5.7
93.07047	19.0
95.04985	3.3
95.08604	34.9
97.02877	6.3
97.06500	2.8
97.10181	7.1
99.04449	2.8
105.01859	2.3
105.07030	9.0
107.08597	20.5
109.02877	3.5
109.06500	3.7
109.10160	25.8
111.08086	3.8
111.11723	5.4
119.08580	10.9
121.06556	1.6
121.10146	21.8
123.11711	14.0
127.03916	6.1
129.07005	1.6
130.06577	2.4
131.08507	1.9
133.10167	13.7
135.11670	9.2
137.09637	12.3
137.13281	13.1
143.08612	2.1
145.10159	2.5
147.08087	4.1
147.11691	8.1
149.09656	3.8
149.13278	11.9
151.14714	1.9
153.12743	3.0
157.10214	2.5
159.11696	1.9
161.09618	15.9
161.13268	3.1
163.11212	8.0
163.14819	4.2
165.09155	7.8
167.10764	3.5
167.14336	2.6
171.11635	2.1
175.11172	5.1
175.14821	4.1
179.10674	6.4
181.12199	9.0
183.11560	1.6
189.12685	1.8
189.16391	2.8
191.17912	1.8
193.12302	5.4
199.14790	1.6
207.17392	1.8
213.16478	1.9
221.15286	1.8
230.14568	1.6
239.23708	2.5
245.22739	2.6
249.18272	1.4
259.24142	2.3
269.22681	4.1
279.26767	4.8
287.23776	4.8
297.27988	2.6
305.24765	33.1
323.25806	100.0
324.26099	1.8
341.26862	81.8
359.27927	5.9
370.25085	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05518	5.9
55.52025	0.5
57.07076	4.4
59.05015	1.0
65.03924	0.7
67.05501	7.6
69.03439	3.1
69.06718	1.1
69.07069	16.3
69.95587	3.5
70.06593	0.9
71.04985	1.3
71.08619	0.8
74.49969	0.7
79.05482	3.6
81.07058	21.3
83.08617	11.3
85.02899	2.0
85.06529	1.4
91.05490	3.5
93.07040	10.3
95.04963	2.1
95.08607	17.1
97.02904	1.2
97.06509	1.6
97.10169	3.7
99.04391	0.7
105.07031	5.9
107.04953	0.8
107.08594	13.2
109.02907	0.8
109.06533	2.0
109.10160	13.2
111.08074	1.7
111.11686	2.3
119.08575	6.6
121.06522	0.7
121.10146	14.5
123.08022	0.9
123.11708	6.5
125.09698	0.8
127.03894	1.0
130.06487	1.0
131.08580	1.8
133.10130	9.5
135.08051	1.2
135.11699	5.3
136.06216	1.1
137.09615	9.7
137.13249	4.8
145.10075	1.2
147.08035	2.2
147.11702	5.2
149.09613	3.0
149.13283	5.9
151.11188	1.2
151.14908	0.9
157.10109	1.8
159.11737	1.0
161.09622	13.9
161.13261	2.5
163.11192	2.3
163.14833	1.5
165.09090	6.6
167.10698	4.4
171.11668	0.8
173.13278	0.7
175.11198	3.2
175.14851	3.3
177.16394	1.6
179.10706	4.8
181.12233	2.0
189.16441	1.7
191.17949	0.7
193.12201	3.9
203.14380	0.7
203.17989	0.9
209.18980	1.5
213.16469	0.9
231.17435	1.2
245.22687	3.4
249.18506	1.4
252.36113	0.7
259.24292	2.4
269.22565	2.3
277.25256	1.4
287.23792	3.1
305.24756	16.4
323.25812	100.0
324.26358	1.0
341.26837	21.3
574.93005	0.8
579.15002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87408	0.5
53.03941	0.6
65.03963	0.6
67.05502	0.9
67.31641	0.6
68.61971	0.7
69.07061	0.9
69.88950	1.2
69.89343	1.5
70.06602	1.6
72.27668	0.5
79.05502	3.6
80.05017	1.8
81.03421	0.7
81.07044	0.8
91.05473	2.1
93.05787	0.8
93.07032	3.0
94.06566	6.3
95.05012	0.9
97.06531	0.6
98.20886	1.2
98.21446	0.7
103.05460	2.8
105.05800	1.1
106.06580	1.3
107.07343	0.9
108.04490	1.7
108.08131	5.5
109.10158	0.9
115.05497	0.8
115.13313	0.5
118.06528	3.1
118.51672	0.6
119.07323	1.4
120.04485	7.8
120.07238	1.0
120.08105	21.5
122.06049	3.8
122.09686	2.0
124.07574	1.1
130.06532	1.2
131.07329	1.0
132.08078	2.8
133.08887	0.9
134.09662	2.0
135.06876	0.7
136.07593	7.0
138.05583	0.8
138.09128	1.4
142.03148	0.7
144.08095	1.5
146.06009	11.7
146.09691	0.8
148.07576	33.5
149.08318	0.5
150.09190	2.7
152.07071	6.5
152.10599	0.6
158.06076	0.7
159.06857	0.7
160.07576	5.4
161.08391	1.0
162.05521	0.7
162.09100	3.1
164.07057	4.6
164.10771	2.2
166.08618	5.3
167.07367	0.7
170.06056	0.8
170.09773	0.8
171.09151	0.6
172.07664	1.4
174.05492	1.0
174.09148	0.7
176.07074	1.3
176.10744	1.0
177.07895	2.5
178.08682	2.1
180.06523	1.1
180.10187	3.8
181.08871	1.6
182.09705	1.6
183.09232	1.8
184.09982	2.4
184.11403	0.6
185.10753	2.3
187.06311	1.9
188.07053	3.6
189.07831	0.9
190.08701	1.3
192.06639	1.8
192.10205	3.4
194.08170	6.2
194.09735	0.9
195.09131	0.7
196.07433	0.6
196.09889	2.1
196.11444	1.2
197.10751	9.8
198.11557	4.2
199.12256	3.2
202.08769	0.6
204.10181	0.9
205.07445	0.9
206.08112	4.4
207.08907	0.8
208.09720	1.2
209.10680	4.0
210.09377	0.6
210.11557	2.2
211.08784	1.8
211.12219	4.5
212.09424	3.3
212.13091	1.4
213.10295	2.8
213.13867	3.5
218.08202	0.8
219.09145	0.6
220.09773	1.8
221.10864	1.2
222.11221	5.6
223.08752	1.5
223.12276	3.5
224.09451	2.0
224.13020	2.6
225.10228	15.1
225.13921	2.4
226.10973	5.9
227.11778	6.9
228.12492	0.8
233.06940	1.7
234.07542	0.7
235.08710	1.1
235.12338	1.4
236.09126	4.2
237.10262	7.8
237.13986	1.6
238.10846	3.2
239.11772	11.5
240.12595	1.4
241.09860	1.2
241.13319	3.3
243.11333	0.7
248.09201	26.1
249.10149	4.1
250.10970	2.2
251.08199	1.8
251.11778	6.8
251.14091	0.7
252.08920	1.6
252.12611	2.6
253.09711	11.1
253.13353	4.5
254.10455	0.9
254.14175	1.0
255.11258	5.9
256.12125	1.1
257.12909	1.7
258.13718	0.8
261.10263	2.4
262.11026	1.2
263.11749	4.9
265.09805	5.2
265.13400	1.6
266.10480	1.6
267.11307	9.6
268.12045	2.4
269.09970	0.9
269.12894	4.6
271.10782	1.6
271.14569	0.8
273.12430	1.2
277.09760	1.7
277.13315	0.7
278.10510	2.0
279.11203	7.3
280.12094	2.6
281.09732	1.0
281.12839	8.8
282.13541	0.6
283.10815	3.4
283.14078	0.8
284.11533	1.1
284.15082	0.6
285.12320	6.5
286.12961	2.9
287.13797	5.2
288.14532	0.7
289.09723	4.3
290.10614	0.7
291.11304	4.2
293.09372	1.2
293.12854	2.1
294.10031	2.3
295.10849	6.2
295.14468	2.8
296.11475	1.9
297.12473	3.2
298.13211	2.2
299.10641	1.1
299.13953	3.8
300.14911	0.7
301.15521	4.8
302.12943	0.7
302.16232	0.8
307.10889	1.4
308.11633	1.6
309.12308	4.6
311.10309	4.9
311.13934	3.0
312.10995	1.1
313.11896	17.5
313.15549	4.2
314.12668	1.4
314.16357	0.9
316.14511	1.1
323.13940	2.6
324.11166	1.1
325.15472	1.2
326.12585	7.0
327.13266	4.2
328.14209	10.8
328.17783	1.1
329.14984	21.9
329.18890	1.3
330.15924	1.2
335.10248	3.9
339.13409	18.4
339.17487	1.1
340.10583	2.3
340.14276	1.3
341.14957	20.2
342.15848	1.5
349.12067	0.7
351.13596	0.8
352.10638	1.1
354.12079	1.9
355.12878	4.1
355.16754	2.7
356.17996	0.9
358.15561	1.9
367.12875	10.7
369.14438	0.7
374.18692	1.1
376.16428	1.5
400.16385	0.7
402.18256	1.5
416.20084	0.8
434.20859	1.3
444.19174	3.1
448.22498	1.5
451.20978	1.1
455.61053	0.6
458.21359	0.6
460.22723	1.5
462.20279	1.3
466.23502	1.8
470.17404	0.8
476.21594	4.5
486.20224	2.3
494.22913	10.0
502.19836	1.0
504.21396	3.4
508.24820	1.0
518.23059	1.0
520.20593	2.3
530.19440	3.7
534.22339	2.1
536.23932	100.0
537.23920	3.9
548.19733	0.8
562.21747	13.4
574.18237	4.2
578.21375	1.0
580.22882	79.2
581.23163	2.3
606.20862	25.1
607.21576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11209	4.7
52.15227	4.9
52.34076	4.9
53.03943	10.1
54.37295	4.3
55.01868	5.6
55.05510	33.4
55.68301	4.0
57.03432	12.2
57.07066	6.1
59.04995	4.9
65.03947	5.4
67.05167	7.1
67.05505	100.0
69.03434	31.8
69.07059	14.4
69.44293	36.0
71.04984	6.3
73.02898	4.9
75.64689	4.1
79.05505	40.4
81.03426	62.6
81.07061	65.6
83.04985	29.3
83.08606	12.6
85.02915	5.0
86.86806	4.6
91.05492	41.2
93.07062	47.9
95.04981	9.9
95.08610	37.7
97.02895	20.9
97.06553	5.1
97.10175	10.6
98.21255	18.6
99.04419	6.1
105.07065	29.1
107.04951	8.5
107.08611	33.4
109.02891	6.2
109.10162	55.8
109.81894	4.5
111.04449	7.2
111.08141	6.1
117.07030	11.2
119.08576	25.7
121.06495	5.7
121.10199	23.5
121.10889	5.2
123.08091	5.9
123.11672	6.9
125.09604	12.4
127.03928	13.7
128.06271	5.4
129.05489	8.9
129.06990	7.9
131.08524	21.4
133.10136	19.0
135.08104	11.4
135.11702	11.1
137.09625	7.6
141.07036	6.6
143.08595	8.3
145.06543	5.1
145.10147	15.5
147.07980	7.4
147.11746	8.3
149.09627	9.2
149.13321	5.7
151.11385	5.1
157.10165	9.4
159.11678	12.4
161.13243	5.6
169.10187	7.4
171.11707	9.5
173.11855	9.7
173.13177	6.2
175.11264	4.7
183.11615	5.2
189.11282	12.7
215.18036	8.5
227.12814	12.2
227.17937	6.6
229.14384	21.1
245.13812	7.6
275.19992	8.4
299.15033	6.3
307.22687	6.8
309.24295	9.2
341.21252	7.4
371.17166	5.7
461.32620	5.9
476.21942	5.3
563.25787	5.2
605.36884	21.6
623.28674	36.3
623.37585	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	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.3
55.01868	6.3
55.05518	16.8
55.34680	3.0
57.03426	8.8
61.02926	23.3
65.03946	3.6
67.05505	41.1
69.03413	9.3
69.07076	22.4
70.26775	10.4
71.04992	3.2
73.02915	8.4
79.05499	36.7
81.03444	7.0
81.07060	41.7
82.93840	2.8
83.04988	5.6
83.08604	13.1
83.19420	3.1
85.02911	18.2
85.06509	2.9
91.03956	17.5
91.04951	4.3
91.05487	50.5
93.07050	35.9
95.04977	6.0
95.08603	25.8
97.02876	12.9
97.06523	6.4
97.10168	7.1
98.20790	3.6
103.05479	3.9
105.07035	38.2
107.04952	7.5
107.08595	23.6
109.02834	2.7
109.06519	8.9
109.10129	9.7
111.08115	3.0
115.05416	4.8
117.07012	31.5
117.97387	2.5
119.08604	23.3
121.06500	6.3
121.10154	9.0
123.08102	6.7
125.09665	2.7
127.03887	6.8
128.06227	9.2
129.06325	2.8
129.07034	34.1
129.16525	2.5
129.40964	2.5
131.04839	2.7
131.08566	44.3
133.06470	5.8
133.10141	13.6
135.08038	6.4
135.11752	4.1
141.06995	15.6
142.07750	5.5
143.08553	31.2
145.06480	11.5
145.10104	19.3
147.08064	8.3
147.11699	6.9
149.09616	7.7
154.07764	3.7
155.08545	24.2
156.09265	3.0
157.10123	16.2
159.08084	10.8
159.11745	12.5
161.09671	5.0
167.08571	11.7
169.10153	17.4
171.08075	3.6
171.11705	12.9
173.09619	4.9
173.13278	4.5
175.11217	5.9
177.12703	3.4
179.08534	6.1
181.10098	14.1
183.11679	8.7
185.09645	3.9
185.13275	8.2
187.11053	3.7
187.14830	3.1
193.10095	5.5
195.11769	13.1
197.13197	6.1
199.11310	3.2
199.14882	5.8
201.12802	3.4
207.11736	6.0
209.13254	7.1
211.11142	5.1
213.12840	5.0
215.14372	6.7
221.13239	10.7
223.14824	6.6
225.12689	4.4
235.14789	4.8
239.14339	4.6
241.16194	3.6
249.16431	3.2
253.15912	3.4
257.15454	5.1
271.16922	7.9
285.18439	2.8
296.98303	2.7
319.18399	3.1
323.23553	4.5
333.22183	14.9
341.24594	12.4
351.23163	44.0
369.24243	36.3
387.25095	17.5
424.61981	3.3
425.26849	7.4
443.27957	100.0
444.28122	5.1
461.28961	61.3
605.32782	4.8
623.33429	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10552	0.5
66.44746	0.6
67.05511	1.4
71.58707	0.6
79.05486	1.2
81.07062	0.9
84.34789	0.5
86.32575	0.6
90.75298	0.7
91.05505	0.9
95.08604	1.3
105.07069	0.9
117.07043	0.7
119.08579	1.1
121.10149	0.7
133.10143	0.7
161.18506	0.6
244.51967	0.6
352.29947	0.7
390.18478	1.0
391.19193	1.4
392.19910	1.3
404.20135	1.0
405.16498	1.1
405.20947	2.7
406.21622	1.8
407.22156	1.0
417.16843	0.9
418.17944	2.8
419.17914	3.6
420.18799	0.6
420.23465	4.6
421.23865	2.8
432.19537	2.2
433.19885	8.0
434.20370	2.9
435.21826	0.9
446.21182	1.7
447.22296	5.6
448.23166	3.3
449.23770	3.3
461.23694	0.9
462.20627	1.0
463.21426	1.8
475.21359	1.8
476.22110	5.0
477.22833	6.0
489.23083	1.7
503.24219	1.2
519.23938	1.0
521.22217	1.8
531.24017	0.9
534.26276	2.5
535.27655	3.2
563.26556	23.0
623.28656	100.0
624.29236	3.2
654.04895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95205	0.3
58.01601	0.3
66.67243	0.3
67.05498	0.7
69.07063	0.4
69.53943	1.9
77.02789	0.3
79.05489	0.4
81.07057	0.8
84.13666	0.3
91.05492	0.6
92.22903	0.3
98.20763	0.6
98.21431	0.6
105.07040	1.0
188.50972	0.3
196.09975	0.3
339.68631	0.3
375.16516	0.3
387.16052	0.6
388.17065	0.4
389.17670	1.7
390.18314	0.6
391.19366	0.8
401.17789	0.7
402.18427	0.9
403.19434	2.2
404.19797	1.1
405.20880	1.8
415.19391	1.6
416.20633	0.6
417.17072	1.8
417.21945	1.9
418.22208	0.6
419.22598	4.7
420.22757	0.3
429.16650	0.5
430.17331	0.5
430.22247	0.5
431.18594	3.0
431.22781	1.9
432.19318	2.2
433.20111	2.2
434.21881	0.4
435.21881	0.7
443.18500	3.5
444.19403	1.3
445.20090	8.1
446.20929	4.9
447.22113	5.5
448.18600	0.4
449.23785	1.5
450.24078	0.4
457.20175	1.2
458.21100	1.4
459.21826	3.0
460.22708	0.7
461.19421	0.7
462.20493	1.7
463.20831	1.9
473.23441	0.9
475.20822	1.4
476.22049	5.7
477.22964	5.8
489.23358	1.6
490.23785	0.9
501.22852	0.5
503.24252	0.9
505.26080	1.1
508.24216	0.3
517.22375	0.5
518.23077	0.5
521.22113	1.1
531.24396	0.4
533.25537	14.1
534.25604	0.5
535.27313	0.8
545.25513	0.9
561.24927	0.6
563.26575	17.6
564.26447	0.5
590.25128	0.4
591.25964	0.6
593.27692	4.0
605.27856	0.9
623.28662	100.0
624.29016	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
67.05494	0.9
75.97978	0.5
79.05513	1.2
81.07049	1.3
81.09086	0.6
91.05509	0.7
93.07057	0.9
95.08624	1.0
105.07043	1.0
107.08530	0.6
109.10165	0.6
109.13280	0.6
117.07113	0.6
119.08579	0.6
121.86246	0.6
221.10844	0.6
271.72479	0.5
375.16199	0.6
377.17581	0.5
389.17523	3.1
390.18546	0.9
391.19119	2.5
392.20230	0.8
393.20721	0.5
401.17377	0.6
402.18964	0.7
403.14752	0.8
403.19525	3.0
404.20160	1.5
405.15900	0.6
405.20889	8.7
406.21713	1.4
416.20062	0.8
417.16486	5.6
417.21194	1.6
418.17551	3.8
419.18240	3.7
431.18436	6.4
432.19327	7.4
433.20285	8.7
434.20865	0.7
443.18756	0.7
445.20676	3.1
446.20972	1.1
448.23032	0.7
449.23627	1.2
459.21820	1.8
461.19659	2.9
462.20160	1.6
463.21518	2.0
464.22076	0.9
475.21423	2.3
476.22260	3.3
477.23630	3.4
478.23608	1.1
489.23111	1.3
490.23007	0.7
491.24710	1.9
503.24268	0.7
505.22473	0.7
519.23999	19.5
520.24518	0.8
535.26709	1.6
547.23267	0.7
563.26532	13.6
564.26910	0.9
579.25989	3.8
595.28278	0.7
623.28644	100.0
624.28949	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69672	0.4
52.88028	0.4
55.05513	0.5
67.05510	1.1
70.19376	1.8
79.05501	1.0
81.07056	1.2
86.65220	0.4
91.05473	0.5
93.07061	1.0
95.08624	0.6
105.07057	1.6
106.06595	0.6
107.08613	1.1
112.79814	0.5
119.08570	0.6
121.10164	0.4
131.08566	0.5
132.08075	0.6
143.08563	0.5
145.10147	0.7
153.38243	0.4
162.08554	0.5
195.09225	1.1
196.09882	0.7
197.10759	1.1
199.08830	0.4
208.11423	0.5
209.10663	3.3
210.11598	1.7
211.09000	0.4
211.12360	2.3
211.14088	0.5
220.09993	0.5
221.10760	0.5
222.11360	0.8
223.08777	0.9
223.12291	4.3
224.09465	0.5
224.13069	4.8
225.10294	1.4
225.13930	1.8
226.14619	0.9
235.08722	0.7
236.09477	0.7
236.12933	0.7
237.10202	2.7
237.13916	3.4
238.14714	1.1
239.15480	2.2
240.88382	0.5
247.12233	0.5
249.10341	1.3
250.11049	1.0
251.11923	1.4
253.13438	0.7
261.13937	0.9
265.09937	0.9
265.13443	2.9
266.14175	0.7
267.14865	0.5
269.12924	0.5
277.09912	1.0
279.11554	1.3
288.14951	0.5
296.11743	1.0
297.12485	0.9
299.15320	0.8
311.13986	3.5
337.11850	0.5
352.13974	0.5
391.19238	1.2
403.19485	0.8
404.16162	0.7
405.16782	0.8
407.22357	0.5
416.17096	0.5
417.17004	1.3
418.18008	1.7
419.18015	2.2
419.23203	0.8
420.19232	0.9
428.20691	0.6
431.18573	1.2
432.19595	0.9
433.20132	3.2
434.20905	0.7
445.20395	1.5
446.21661	0.7
447.17856	1.6
447.22952	1.0
448.18262	0.6
449.23450	1.5
459.22415	0.6
461.19089	2.4
463.21533	1.2
475.21497	1.8
476.22125	2.8
477.23004	2.8
479.24878	0.6
489.22964	1.6
491.20709	0.6
503.24518	0.8
517.21674	0.5
520.24695	1.1
521.25555	0.6
525.35773	0.9
531.23889	0.6
533.22168	1.0
534.22827	0.5
535.27924	3.3
545.25464	0.7
548.24213	3.0
563.26520	27.9
564.27216	1.2
591.26080	5.8
595.29089	1.6
605.26324	1.5
623.28656	100.0
624.28845	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42804	0.5
67.05510	1.7
69.07076	0.5
70.00588	1.8
70.27592	0.5
79.05501	1.6
81.07056	1.7
88.49872	0.5
91.05491	0.9
93.07053	0.6
95.08603	1.0
98.20968	1.1
105.07088	0.6
107.08587	0.7
117.07056	0.5
119.08580	1.2
119.48908	0.5
119.96704	0.4
121.10126	0.7
140.95744	0.5
141.65675	0.4
145.62804	0.4
161.24693	0.4
198.41145	0.4
223.08606	0.5
346.77042	0.5
377.17572	0.9
378.18243	0.5
389.17886	1.1
390.18671	0.6
391.19418	2.3
392.20160	0.7
393.20767	0.6
401.17899	0.8
403.19351	1.6
404.20306	1.0
405.20883	1.7
406.21661	0.6
407.22305	0.9
416.20343	0.6
417.21133	1.2
418.17548	1.1
419.17688	2.5
419.23071	1.4
420.19272	1.1
421.24100	2.6
429.16974	0.8
430.17975	0.7
431.18723	1.8
432.19772	1.2
433.20145	4.3
434.20981	1.5
435.21915	1.3
443.18066	0.5
444.19601	0.8
445.20313	3.5
446.21140	1.1
447.17160	1.0
447.22821	3.7
448.22766	1.6
449.23505	4.9
457.20148	0.6
458.20920	0.7
459.21939	2.9
460.22903	0.6
461.19879	2.2
462.20691	1.5
463.21359	2.0
475.21393	1.9
476.22092	5.0
477.22913	4.8
489.22964	2.1
490.24081	0.7
503.24164	1.8
519.24603	0.8
521.22034	0.6
522.25586	0.6
533.25568	3.6
535.27502	3.4
545.25421	1.3
547.27997	0.6
563.26520	16.9
564.26929	0.8
591.25696	1.0
593.27020	0.6
595.29175	1.0
605.27606	2.5
606.28430	1.9
623.28650	100.0
624.28735	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
74.42201	0.3
95.96215	0.3
98.20678	0.7
165.11893	0.4
178.77036	0.3
195.42773	0.4
237.14011	0.6
261.38834	0.3
377.17822	0.6
387.16309	0.6
389.17596	0.7
391.19202	1.6
392.19806	0.5
399.16547	0.4
401.17813	0.5
402.18524	0.9
403.19296	1.5
404.20255	0.6
405.21060	2.5
406.21783	0.3
407.22537	1.1
415.19180	1.0
417.16357	0.7
417.21542	2.0
418.17792	1.0
419.17621	0.7
419.22897	3.1
420.23477	0.9
429.16504	0.7
429.21548	0.7
429.65311	0.3
430.16974	1.7
430.22641	0.4
431.17999	2.5
432.19287	1.1
432.23914	0.6
433.20123	5.8
434.20840	0.7
443.12384	0.5
443.17728	1.8
444.18854	1.9
445.19818	4.6
446.21295	1.9
447.21881	4.4
448.22571	1.1
449.23853	0.6
458.20880	6.1
459.21768	5.2
460.22650	4.2
461.19333	0.9
462.20334	0.6
463.21198	2.1
472.22507	0.5
473.23672	0.8
475.20526	1.6
476.22156	1.1
477.23093	1.7
485.23938	0.4
487.25699	0.5
491.25021	0.5
492.24243	0.4
503.24457	0.6
504.24802	0.6
505.21585	0.5
505.26526	0.4
517.22607	0.7
518.22998	4.5
519.23297	0.4
521.22058	1.1
531.23596	0.8
533.25464	7.3
535.27869	2.0
545.25366	3.4
546.26257	0.8
563.26520	4.3
573.25067	0.9
577.27692	0.7
591.26300	0.5
605.27600	11.3
623.28613	100.0
624.28961	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2854
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
54.90306	0.8
58.76902	0.8
67.05531	0.7
70.71510	1.7
70.71886	1.5
76.06081	0.7
79.06402	0.8
85.74960	0.8
89.41199	0.7
106.92954	0.8
148.45560	0.7
156.97676	0.8
212.05809	0.9
296.76456	0.8
311.74612	0.8
389.17804	0.9
405.20837	2.8
420.23288	1.1
429.20935	2.8
433.19675	3.7
435.21866	0.8
444.23355	1.1
447.17664	5.9
448.22485	2.8
449.23254	1.6
459.21667	1.2
461.19345	9.1
462.20322	1.4
472.22989	0.9
475.21384	2.3
476.21967	17.3
477.22952	2.4
485.23550	4.4
486.24106	1.1
487.25281	1.7
489.23340	1.1
503.24506	2.5
515.24365	2.7
517.25964	1.1
519.24097	1.0
521.25623	2.3
531.23944	6.8
536.23773	2.8
545.25415	8.1
549.24884	3.4
559.23169	1.9
563.26459	8.6
582.43427	1.0
591.26184	10.8
605.27820	1.5
619.28394	1.1
623.28601	100.0
624.28564	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	623.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.8
58.98819	2.5
67.05490	6.8
69.07047	3.3
69.74814	4.4
69.75229	8.1
70.63676	2.3
79.05494	5.2
81.03416	2.3
81.07038	4.8
91.05473	4.6
93.07037	3.6
95.08589	4.9
96.49561	2.1
98.20737	3.5
98.21324	5.1
105.07014	9.4
107.08544	3.7
117.07018	2.4
119.08548	2.6
129.07005	2.4
131.08533	2.3
131.64920	2.0
143.08522	2.5
145.10037	2.1
222.98665	2.1
275.20053	2.9
284.56656	2.2
338.32996	2.1
377.17819	2.7
391.19336	4.2
392.19711	4.1
393.20779	4.2
401.17569	3.5
405.16898	3.0
407.22287	6.0
414.18362	2.7
415.19202	6.5
417.16437	3.1
421.20151	5.9
429.20435	4.5
433.20380	3.1
443.22635	4.2
447.17786	5.8
448.18942	3.8
455.18546	2.9
458.20865	4.0
461.19696	3.9
463.21240	4.8
471.21512	7.3
476.18018	2.9
485.19345	2.9
486.20380	4.3
489.22235	6.8
490.19446	4.4
491.20532	2.8
499.21310	18.1
501.22449	7.3
503.21091	4.4
507.24234	2.6
517.22247	11.1
518.22522	2.7
525.35419	5.9
527.20740	3.0
529.22711	10.9
535.23059	5.7
545.21838	52.2
563.23499	4.3
564.23358	3.9
573.21454	13.4
605.23956	94.7
606.23669	3.3
623.24841	100.0
623.42480	5.9
624.25073	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	621.271
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
67.05506	0.4
69.38860	2.9
69.61282	0.4
79.05503	0.5
81.07065	0.7
93.07043	0.5
95.08624	0.4
98.21445	0.7
176.77205	0.3
209.10776	0.5
221.10814	0.4
263.67172	0.3
271.97672	0.4
272.11896	0.4
373.14755	0.4
374.15512	0.7
375.16339	0.7
376.17133	0.6
377.17804	0.5
387.16165	1.0
388.17020	1.4
389.17673	3.6
390.18533	1.7
391.19101	0.8
399.16315	0.4
401.17938	1.0
402.18958	2.0
403.14825	0.8
403.19513	5.2
404.20160	2.6
405.20773	2.6
415.15131	0.4
415.19824	0.6
416.16248	1.3
416.20798	0.6
417.17096	4.1
417.21066	3.4
418.17401	1.0
418.21875	1.2
419.22421	8.3
420.22989	1.0
428.16147	0.4
430.17868	1.2
430.22534	0.6
431.18048	7.7
431.23602	1.1
432.19174	3.1
433.20013	3.0
443.18811	1.1
444.19333	0.7
445.20038	7.7
446.21045	7.0
447.21765	9.5
457.20270	0.4
459.22961	1.8
460.18292	0.7
461.19788	1.4
463.21368	0.5
473.19122	1.0
473.24121	1.0
474.20337	7.3
475.21283	8.4
476.21939	0.4
487.21271	3.0
488.22061	1.0
491.20853	1.1
492.25482	0.5
501.22800	1.8
502.23752	0.5
505.25879	1.5
517.22339	0.4
518.23285	0.7
519.19525	0.8
529.22681	0.5
533.25568	14.1
534.26001	0.5
546.23138	0.5
561.24957	21.2
562.25354	1.0
589.24524	1.4
593.27728	3.9
621.27106	100.0
622.27338	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	621.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52085	0.3
61.80983	0.4
69.78656	1.0
69.79057	0.9
98.20905	0.6
100.21667	0.4
102.14880	0.4
125.30399	0.4
156.43764	0.4
209.10669	0.6
221.10664	0.4
247.30968	0.4
249.10191	0.5
263.11624	0.4
298.13486	0.4
310.13489	0.4
324.11359	0.4
324.14963	0.5
372.14737	0.5
373.14783	0.8
374.15073	0.4
375.16159	1.5
384.17014	0.5
386.16351	0.4
387.16199	1.3
388.16690	2.1
389.17639	4.3
390.18369	1.6
391.19177	0.9
401.18115	1.7
402.13971	0.5
402.19006	2.0
403.19403	6.5
404.19989	3.1
405.20709	2.3
414.18759	0.5
415.19315	1.0
416.15561	2.1
417.16876	3.5
417.20847	4.1
418.17328	1.2
418.21640	1.3
419.22391	10.6
420.22791	0.7
427.19125	0.6
429.16425	0.9
429.21631	0.6
430.16910	1.7
430.22504	0.7
431.18021	10.0
431.23511	1.0
432.19080	3.3
433.20264	2.4
443.18243	0.8
444.19626	0.7
445.20139	8.5
446.20871	5.8
447.15546	0.7
447.21793	13.7
457.20270	0.8
458.21115	0.7
459.17438	1.5
459.21915	3.1
460.18954	1.4
461.19730	1.5
463.21307	0.6
472.18826	0.4
473.19394	1.8
473.24142	1.1
474.20367	11.2
475.21317	18.4
476.21860	0.7
477.22366	0.5
486.21182	0.4
487.21295	5.3
488.21939	1.2
489.22693	0.5
490.23792	0.8
491.20135	0.8
501.22754	3.0
502.23566	1.0
503.20822	0.4
505.25784	1.5
518.23108	1.5
529.22455	0.8
533.25476	13.3
546.22742	1.0
547.23242	0.5
561.24957	89.7
562.25305	3.4
589.24579	2.3
593.27496	4.1
621.27063	100.0
622.27496	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	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.14183	0.4
56.14051	0.3
59.54753	0.3
61.34665	0.3
64.33090	0.3
70.83952	0.6
86.02901	0.3
98.21068	0.7
105.57314	0.4
113.94068	0.4
137.07686	0.4
164.18776	0.4
208.10143	0.4
209.10799	0.6
210.46533	0.3
239.30315	0.3
336.56973	0.4
375.15756	0.6
387.16180	1.0
388.16840	0.9
389.17673	2.3
390.18835	1.0
391.19177	0.6
401.17892	0.5
402.14188	0.5
402.18915	0.9
403.19485	4.1
404.20306	1.7
405.20764	2.4
416.15750	0.7
416.20496	0.8
417.16302	3.3
417.21179	1.6
418.17908	1.1
418.22296	0.7
419.22513	6.1
420.23001	0.5
430.17676	0.9
431.18024	5.0
432.19003	2.4
433.19992	2.3
443.18683	0.9
445.20233	5.3
446.20984	5.9
447.21771	8.9
459.22717	2.5
460.22989	0.4
461.19839	1.5
463.20749	0.4
473.18784	0.7
473.24088	1.0
474.20358	5.9
475.21228	6.8
477.22464	0.5
478.24146	0.4
487.21417	2.4
488.22156	0.6
491.20822	1.1
501.23019	1.6
503.20959	0.6
505.25558	1.4
506.22418	0.4
518.23505	0.7
519.19763	0.4
529.22290	0.8
533.25507	13.9
561.24945	21.4
562.25476	0.7
589.24585	0.7
593.27686	3.8
621.27094	100.0
622.27576	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	618.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.9
53.93967	5.0
55.05505	25.6
55.65906	4.2
57.03449	22.6
57.07072	14.3
67.05506	100.0
69.07070	37.4
69.26336	47.2
71.05003	9.7
71.08620	5.4
79.05502	60.8
81.07059	91.5
83.08603	15.0
85.06580	4.6
87.04470	65.2
91.05477	56.7
93.07047	81.7
95.04963	6.8
95.08614	69.8
98.20809	13.2
98.21487	10.5
99.08095	10.6
105.07037	47.0
107.08603	45.9
109.06522	11.0
109.10148	26.3
117.07009	19.2
119.08572	38.9
121.06561	5.5
121.10136	41.0
123.11752	7.7
129.06970	6.1
131.08556	19.7
133.10129	45.2
135.08109	4.4
135.11726	26.9
137.09676	8.5
145.10161	15.8
147.11681	24.1
149.13257	10.0
157.10089	10.6
159.11694	19.6
160.42926	4.3
161.13278	7.5
165.12822	5.6
171.11726	9.5
173.13242	8.4
175.14822	7.5
177.12682	4.4
185.13194	6.6
203.17978	10.4
213.16417	14.4
230.28682	5.0
231.17453	21.6
249.18558	15.7
277.21646	8.1
307.22626	23.2
323.22086	40.7
335.25775	93.0
394.60916	5.7
506.39014	16.0
583.43549	35.2
613.90338	4.5
618.43005	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05495	0.5
57.03429	0.3
57.07074	0.6
67.05504	0.6
69.29956	3.3
79.05495	0.7
81.07076	0.8
91.05457	0.3
94.42798	0.3
95.08583	0.5
95.62960	0.3
98.20805	1.0
98.21501	0.8
109.10151	0.5
110.96111	0.3
112.99634	0.3
119.08599	0.4
125.09659	0.5
130.18803	0.4
135.21059	0.3
261.13898	0.5
286.50934	0.3
310.13525	0.5
336.55826	0.5
338.16391	0.5
343.51071	0.4
375.16302	1.1
376.17227	0.7
387.16174	0.8
388.16977	1.1
389.17761	2.8
390.18604	1.3
391.19241	1.0
399.16360	0.5
401.17813	1.2
402.18704	1.7
403.14749	0.4
403.19296	4.3
404.20053	2.0
405.21017	1.6
414.18500	0.4
415.19385	1.5
416.15695	0.7
416.20779	0.6
417.17087	2.3
417.21024	2.0
418.21686	1.0
419.22446	4.6
420.23004	0.5
429.21594	0.7
430.17508	1.0
430.22260	0.7
431.17838	3.1
431.23099	1.4
432.18784	0.7
432.23816	0.7
433.20361	1.1
443.18860	0.6
445.20844	4.5
446.20956	3.2
447.21765	6.2
455.22305	0.4
459.18271	3.3
460.18823	1.1
460.23416	0.7
461.19150	2.2
473.19800	1.4
474.20425	8.8
475.21295	13.0
476.22479	0.7
477.22403	0.5
486.20172	0.5
487.21304	3.0
488.21967	0.7
501.23199	3.0
502.24112	0.4
505.26425	1.8
518.23285	0.6
519.20673	1.3
529.22174	1.1
533.25610	7.0
546.23053	0.8
547.23114	0.6
561.24969	33.8
562.25543	1.2
589.24359	1.3
593.27704	0.6
621.27069	100.0
622.27563	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	618.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69252	7.6
55.05515	38.6
57.03440	17.3
57.07084	11.3
67.05513	50.8
68.69795	7.8
69.07067	27.7
72.60358	8.8
75.63560	7.6
79.05500	58.3
81.07069	38.0
83.08611	16.0
83.67546	8.3
87.04478	100.0
91.05484	41.1
93.07032	53.3
95.04974	16.5
95.08601	46.4
97.06532	7.7
98.20786	18.5
98.21437	18.5
105.07058	44.8
105.84117	8.6
107.08604	23.8
109.10167	24.3
117.07009	17.4
119.08585	31.2
121.06547	11.6
121.10140	28.8
123.59537	8.5
129.07037	10.3
131.08588	25.1
133.10118	21.4
135.08063	11.1
135.11722	19.5
145.10143	18.3
149.13307	9.3
150.95490	8.1
153.73282	8.9
153.84135	7.5
156.97508	8.0
157.10138	14.1
159.11673	18.8
161.13252	17.6
163.35474	8.6
171.11684	14.3
173.13307	9.8
241.19435	9.7
259.20648	22.9
307.22662	40.3
331.39462	8.1
333.24301	21.9
515.77826	7.8
611.81763	9.1
618.43805	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.9
55.05513	25.5
57.02616	5.5
57.03434	20.9
57.07072	22.5
61.02235	5.8
64.51321	5.5
67.05508	87.5
69.07079	20.4
69.26031	58.9
71.04984	11.5
79.05495	80.1
81.07057	91.7
83.08643	8.9
87.04472	67.2
91.05502	52.8
93.07047	90.7
95.04969	6.9
95.08618	65.9
97.06510	6.5
98.20776	11.3
98.21469	17.9
99.08068	8.0
105.07041	44.8
107.08606	43.7
109.10175	29.0
115.37248	5.2
117.07011	10.4
119.08596	38.2
120.10210	5.1
120.29099	5.8
121.10160	42.4
123.11703	5.6
131.08589	22.1
133.10158	18.5
135.11696	24.5
145.10138	24.3
147.11691	21.3
149.13263	13.6
159.11679	17.6
161.13249	9.2
163.74362	5.8
171.11739	7.2
173.13310	12.5
233.19066	7.6
235.13905	5.9
259.20651	13.0
277.21680	16.6
293.21130	6.2
307.22659	100.0
333.24249	10.3
335.25815	7.6
351.25360	22.7
375.06497	6.3
506.39334	9.4
583.43713	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	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01874	3.1
55.05254	2.7
55.05511	41.4
57.07068	10.6
59.04999	3.6
65.03942	3.9
67.05502	27.0
69.03419	13.8
69.07065	17.3
69.54031	8.2
69.54449	3.5
71.04984	7.5
71.08634	5.2
71.86493	1.5
79.05494	36.4
80.06282	1.7
81.07057	46.8
83.04974	20.2
83.08618	56.2
84.08992	1.4
85.06551	8.1
85.10168	3.4
85.45038	1.6
87.04465	4.2
89.06039	13.9
90.06383	2.5
91.05479	56.8
93.07043	55.6
94.07814	1.6
94.85285	1.4
95.04973	31.3
95.08605	30.5
95.74670	1.4
97.06532	22.5
97.10159	2.0
98.20747	3.3
98.89966	1.6
99.04450	5.3
103.05457	4.2
105.04523	1.6
105.07031	100.0
106.07898	1.7
107.04970	5.6
107.08591	65.9
109.06518	19.0
109.10148	24.7
111.08086	9.1
113.06039	1.8
113.09636	7.7
115.05462	8.4
116.06212	3.3
117.07021	24.9
119.04967	1.9
119.08582	79.2
120.09367	4.7
121.06499	12.3
121.09296	3.5
121.10146	51.0
123.08077	21.3
123.11722	6.4
125.09642	16.7
127.11202	2.1
128.06213	12.9
129.07022	20.4
130.07793	9.8
131.08571	42.7
132.09366	4.5
133.06529	3.2
133.08607	5.9
133.10136	45.7
134.10928	1.9
135.08067	14.5
135.11707	9.7
137.09581	7.4
139.11182	14.9
141.06984	9.0
141.09138	1.6
142.07771	25.6
143.08562	46.8
144.09372	12.7
145.06453	7.7
145.10123	74.2
146.07321	2.3
146.10898	3.3
147.08054	11.9
147.11673	17.4
149.09587	11.9
149.10587	1.5
149.13240	3.5
151.07574	4.5
151.11194	3.4
153.07007	4.7
153.09058	2.6
154.07745	3.6
155.08586	18.0
155.10605	11.8
156.09366	21.7
157.10123	57.8
158.07315	1.8
158.10922	8.2
159.08037	17.1
159.11691	33.8
160.08844	11.4
160.09978	1.7
160.12239	2.2
161.09627	14.3
161.13268	7.2
163.11206	9.2
165.06961	9.0
165.09120	4.1
165.12811	2.9
166.07730	2.4
167.08580	12.9
167.10667	15.1
167.14330	2.5
168.09428	7.7
168.11330	1.3
169.10126	28.6
169.12369	1.8
170.10881	10.8
171.08066	3.4
171.10260	2.8
171.11674	33.1
172.12457	3.9
173.09706	8.6
173.13261	14.8
174.10423	2.8
175.11200	10.1
175.14859	5.9
177.12718	3.0
179.08557	10.7
179.14311	5.9
180.09334	8.5
181.10132	18.3
181.12254	24.1
181.13698	2.5
182.10910	11.2
182.12318	1.8
183.11697	22.1
183.13589	2.4
184.12503	5.9
185.09634	4.2
185.13240	17.4
186.10410	2.4
186.14032	2.9
187.11192	6.6
187.14845	6.8
189.12773	5.5
190.13503	2.9
191.14337	10.5
192.09296	4.5
193.10162	17.7
194.10829	8.0
195.11700	28.3
195.13600	3.4
196.12460	7.4
197.09537	3.5
197.13260	35.5
198.14038	5.8
199.11142	9.0
199.14828	14.8
200.15416	1.8
201.12840	3.5
201.16345	3.4
203.14346	7.0
205.10056	3.2
206.10962	5.4
207.11710	16.1
207.13818	7.7
208.12468	7.3
208.14449	3.4
209.13326	21.9
209.15186	2.3
210.14024	4.6
211.11438	3.2
211.14815	16.6
212.11871	1.9
212.15569	3.2
213.12796	7.5
213.16493	7.5
215.14320	18.1
217.10103	4.0
217.15948	3.2
218.10925	2.9
218.16626	2.8
219.11696	6.9
220.12469	5.0
221.13257	13.2
221.15404	20.3
221.62886	1.6
222.13902	3.1
222.15833	2.8
223.14763	12.9
225.12701	5.5
225.14839	16.8
225.16518	4.9
227.14268	7.7
227.17867	1.9
228.15210	1.8
229.10078	2.8
231.11710	5.5
232.12474	3.5
233.13251	6.7
233.15338	40.2
234.14023	3.6
234.16138	2.5
235.14845	10.7
235.16881	2.3
236.15536	1.8
237.12785	2.0
237.16508	8.7
239.14383	2.8
239.17947	3.2
241.15891	4.9
243.11722	3.1
244.12334	2.1
245.13260	5.5
245.15465	2.3
246.14005	4.6
246.16280	2.2
247.14746	7.2
247.17009	4.5
249.16510	8.5
251.14177	2.0
251.17996	5.4
253.15805	3.7
253.19649	2.7
255.17459	29.3
257.18982	3.3
258.13876	1.8
259.14847	5.7
260.15607	2.2
261.16415	6.5
263.17947	7.7
265.19516	5.4
267.17508	3.0
268.18320	4.4
269.18945	5.3
270.19736	8.4
271.17096	2.6
271.20490	4.7
273.16144	3.7
273.18600	5.3
274.17014	2.2
275.17944	5.2
277.19547	4.3
279.17389	3.0
280.17926	1.7
281.18958	4.4
282.19888	4.5
283.20624	4.5
285.18582	4.9
286.19281	3.9
287.20096	5.1
289.19455	3.7
291.20984	2.0
293.18802	2.4
294.19778	2.7
295.20480	3.5
296.94028	1.8
298.19455	3.7
299.20062	6.0
305.22211	1.7
309.22180	2.5
311.20224	3.7
312.20825	2.3
315.21155	3.0
325.21802	2.0
331.24106	3.9
337.25204	4.8
347.23877	4.0
349.25372	3.7
359.23486	3.2
360.24353	2.1
361.25476	2.2
363.22864	2.3
365.24658	6.5
367.26291	4.7
383.25809	12.6
399.26691	2.0
414.28955	3.1
429.31674	2.0
439.29565	2.3
457.30862	3.3
490.33725	2.3
567.38593	3.0
582.40466	4.4
585.39929	2.1
600.41315	3.6
618.43024	15.1
619.38245	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	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	2.7
53.03937	5.1
55.01860	6.1
55.05262	2.7
55.05513	46.7
55.69928	2.3
57.07064	8.0
59.04982	3.6
65.03923	5.2
67.05508	37.6
69.03429	15.6
69.07071	16.2
70.08790	9.4
71.04968	7.1
79.05501	46.9
80.06254	3.6
81.03393	3.2
81.07061	48.5
83.04985	22.7
83.08624	67.2
85.06529	9.0
87.04466	5.3
89.06062	2.5
91.05491	63.8
93.07049	69.4
95.04969	32.2
95.08608	39.0
97.06533	27.1
98.20908	4.1
98.21424	4.1
99.04440	6.6
103.05447	5.9
105.07037	100.0
107.04923	6.6
107.08604	73.7
109.06526	20.2
109.10155	26.5
111.08091	9.3
113.09623	9.2
115.05447	11.5
116.06216	5.4
117.07024	24.0
119.08586	93.5
120.09331	3.7
121.06524	14.6
121.10155	61.1
123.08082	21.6
123.11710	8.1
125.09643	20.1
128.06255	19.2
129.07019	22.8
130.07800	11.9
131.08577	52.9
132.09337	6.8
133.06526	4.2
133.10138	54.0
134.10924	2.5
135.08058	15.2
135.11705	14.5
137.09630	5.2
139.11176	14.3
141.06987	14.0
142.07771	31.2
143.08569	53.2
144.09364	14.2
145.06488	7.9
145.10132	82.4
145.11272	5.0
146.02692	9.9
146.07288	3.2
146.10713	2.7
147.08023	17.9
147.11681	26.9
148.02307	3.9
149.09636	18.1
149.13220	3.4
151.07585	5.1
151.11128	4.1
153.07030	3.8
154.07800	4.5
155.08586	25.1
155.10629	13.7
156.09355	22.5
157.10127	65.7
158.07277	3.4
158.10898	10.9
159.08089	20.4
159.11703	40.9
160.08859	15.4
161.09647	16.6
161.13261	5.1
163.11217	6.0
165.06992	7.3
165.12685	2.6
167.08549	14.3
167.10683	17.1
167.14311	4.4
168.09355	6.0
168.11496	2.3
169.10143	41.0
170.10921	11.2
171.10234	5.7
171.11664	37.7
172.12425	3.1
173.09627	16.1
173.13258	17.9
175.11243	12.3
175.14832	3.8
179.08546	17.3
179.10033	2.2
179.10620	1.9
179.14284	5.1
180.09341	6.6
181.10118	23.2
181.12238	22.9
182.10918	18.1
183.11688	29.4
184.12463	5.3
185.09621	6.6
185.13235	21.2
186.14066	4.9
187.11209	5.6
187.14824	7.3
188.11919	3.5
189.12723	7.8
190.13403	4.0
191.08603	2.2
191.14304	10.4
192.09282	4.7
193.10132	17.0
194.10933	11.7
195.11740	27.6
195.13567	3.1
196.02588	3.4
196.12515	11.1
197.09526	3.5
197.11681	3.6
197.13304	44.8
198.13957	5.2
199.11086	8.5
199.13142	2.1
199.14809	15.8
201.12773	6.5
201.16373	3.9
203.14345	9.0
205.10106	5.2
206.10890	8.9
207.11700	18.8
207.13589	3.7
208.12460	8.6
208.14339	3.9
209.09895	2.7
209.13287	24.4
209.15215	3.0
210.14017	5.1
211.11226	3.8
211.14839	22.6
213.12721	8.4
213.16379	6.5
215.14380	16.8
217.10056	4.3
217.12143	3.5
217.15958	2.7
218.16745	3.4
219.11638	7.4
219.13707	2.5
220.12451	9.3
221.13217	13.9
221.15382	22.7
222.13918	5.3
222.15858	3.0
223.11214	4.8
223.14903	15.2
225.12811	4.8
225.14481	12.9
225.16606	4.9
227.14293	8.1
227.20071	2.8
229.15825	5.4
230.10713	4.0
231.11693	4.8
231.17413	4.4
232.12480	3.5
233.13214	8.1
233.15346	35.0
234.14058	5.2
234.16156	5.7
235.14899	15.1
235.16827	3.2
236.15399	2.8
237.12737	3.4
237.16516	13.8
239.14334	3.7
239.17896	4.5
241.15804	3.9
245.13243	6.4
245.15485	3.9
246.13927	5.4
246.16188	3.6
247.14821	7.8
247.16971	5.8
249.16327	6.3
250.17247	2.8
251.17970	6.9
253.15857	3.3
253.19640	4.8
255.17435	37.8
257.18982	4.9
259.14719	3.4
260.15604	2.4
261.16412	8.7
263.17975	4.4
265.19553	6.5
267.09940	2.2
267.17480	4.5
268.18140	5.2
269.13306	3.0
269.19077	4.4
270.19824	9.3
271.17282	3.5
271.20511	6.8
273.16095	4.4
273.18674	5.0
274.16916	2.4
275.17932	5.0
277.16183	2.6
277.19501	4.0
279.17456	3.8
281.18942	7.6
282.19748	5.2
283.20593	6.4
285.18655	5.0
286.19293	4.2
287.20074	4.3
289.19415	4.0
291.21066	3.1
293.18945	3.4
294.19785	4.2
295.20523	3.9
297.22134	2.7
299.20071	6.6
307.20465	2.6
311.20166	3.0
312.20694	3.8
317.22415	3.5
331.24084	3.8
333.22177	3.1
335.23776	2.8
337.25253	8.2
340.23315	2.3
347.23663	6.3
349.25308	4.4
360.24570	3.5
361.25351	2.8
365.24689	9.4
367.25989	4.6
383.25726	11.3
399.26697	5.5
401.28156	2.9
414.29230	2.7
457.31070	2.9
600.41187	5.5
618.42877	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	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	3.0
51.51132	2.7
53.03938	8.9
55.01863	6.5
55.05515	37.3
57.07064	11.3
59.50602	2.5
65.03933	4.0
67.05505	31.8
69.03413	12.6
69.07076	23.7
69.82655	7.3
69.83073	9.1
71.04998	6.4
72.45726	2.7
77.03940	2.9
79.05065	2.5
79.05496	38.4
81.07059	55.2
83.04982	18.7
83.08627	54.2
85.06538	11.8
87.04487	3.6
91.05477	57.3
93.07045	71.2
95.04971	38.8
95.08612	35.9
97.06533	30.7
98.20762	3.3
99.04449	6.7
99.08089	2.8
103.05484	7.2
105.07033	100.0
107.04974	4.8
107.07872	4.0
107.08595	71.5
109.06544	15.7
109.10162	32.9
111.08110	6.5
113.09637	13.8
115.05459	6.3
116.06218	5.1
117.07037	27.2
119.08587	90.5
120.09399	4.4
121.06503	14.6
121.10151	57.1
122.10440	3.5
123.08071	21.8
123.11717	8.8
125.06030	4.2
125.09669	16.3
128.06239	10.4
129.07019	22.5
130.07831	7.9
131.08578	52.7
132.09286	4.3
133.06523	7.0
133.10130	50.8
134.10886	3.2
135.08060	12.2
135.11694	18.7
137.09612	11.1
139.11211	13.1
141.06981	12.5
142.07794	31.1
143.08572	55.3
144.09366	13.4
145.06505	6.7
145.10129	86.6
146.07300	2.9
146.10599	2.5
147.08076	12.9
147.11690	31.5
149.09625	11.2
149.13292	2.9
150.17688	2.8
151.11168	6.1
153.07028	3.2
154.07846	2.9
155.08562	22.2
155.10674	13.0
156.09367	21.3
157.10124	67.7
157.11446	3.6
158.10858	8.0
159.08057	19.1
159.11697	38.6
160.08862	11.5
161.09641	16.1
161.13240	7.2
163.11195	10.9
165.06987	8.1
165.12770	2.8
166.07730	3.0
167.08600	12.7
167.10681	22.3
168.09315	6.8
168.11229	3.1
169.10136	32.7
170.10883	6.4
171.10269	6.3
171.11664	36.3
172.08897	3.0
172.12480	5.0
173.09737	12.5
173.13266	21.8
175.11165	11.4
175.14830	7.1
179.08553	14.3
179.14275	3.8
180.09326	7.5
181.10199	16.5
181.12218	28.4
182.10886	12.8
182.12738	2.6
183.11690	27.1
184.12531	4.5
185.09648	8.5
185.13277	20.8
186.14177	2.7
187.11200	9.9
187.14824	7.6
189.12799	6.7
191.14345	9.4
193.10123	12.1
194.10913	12.1
195.11694	25.3
195.13724	4.0
196.12474	9.8
197.13281	38.1
198.10414	3.2
198.13922	4.1
199.11160	7.7
199.14719	18.6
201.12764	5.6
201.16464	7.3
203.10722	2.7
203.14371	9.7
205.10048	4.6
205.15939	3.3
206.10950	5.8
207.11673	14.5
207.13750	7.2
208.12502	6.0
208.14552	4.3
209.13287	22.7
210.13943	4.5
211.11215	5.5
211.14830	18.8
212.15210	2.9
213.12727	7.2
213.16425	6.9
215.14316	15.7
217.10118	3.1
217.15825	5.4
218.11023	3.2
219.11609	6.8
220.12531	5.0
221.13242	14.8
221.15408	22.6
222.13971	3.7
223.14844	16.4
225.12674	7.1
225.14815	11.9
225.16501	7.5
227.14352	7.8
229.15869	4.1
231.11780	3.8
233.13228	7.1
233.15375	38.1
234.13904	6.1
235.14822	11.8
235.76685	2.6
237.12825	3.0
237.16350	8.1
239.14233	4.5
239.17990	5.1
241.15880	4.4
243.17509	3.2
245.13382	7.6
246.16226	4.6
247.14737	5.8
247.16997	6.3
249.16357	10.1
251.14595	3.7
251.17798	5.3
253.15927	7.6
253.19524	4.2
255.17438	30.8
257.13159	3.5
257.19159	3.7
258.14093	4.4
261.16425	10.3
263.17929	7.4
265.19492	7.4
267.17493	3.3
268.18335	4.8
269.19009	6.3
270.19818	8.7
271.14651	3.3
273.18588	5.3
275.17746	4.6
281.18967	6.0
282.19760	3.7
283.20578	6.3
285.18701	4.1
286.19403	5.2
287.20209	3.9
289.19516	5.3
291.21228	3.2
293.18994	3.4
294.19659	3.8
299.20129	5.2
311.19946	2.9
337.25192	6.2
347.23721	6.2
365.24612	5.5
367.26291	5.0
383.25711	8.9
392.27112	3.5
393.28107	6.2
414.29434	4.0
439.30090	4.5
457.30688	3.7
600.41077	7.2
618.42310	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01873	5.2
55.05512	47.3
57.07073	13.3
59.04996	3.9
65.03948	8.4
67.05511	31.2
69.03426	12.3
69.07076	18.8
69.82993	10.9
69.83395	5.6
71.04964	5.6
75.71424	3.1
77.03961	3.1
78.29877	2.8
79.05491	43.6
81.06634	4.9
81.07063	53.3
83.04987	18.3
83.08617	58.4
85.06526	9.2
87.04452	6.3
89.05999	5.3
91.05483	64.7
93.07052	69.4
95.04964	34.2
95.08625	33.1
97.06551	26.9
98.21006	8.2
105.07037	100.0
107.04939	5.4
107.08599	71.4
109.06526	17.5
109.10146	24.1
111.08065	6.8
113.09621	9.1
115.05486	7.6
116.70236	4.0
117.06992	24.2
119.04916	4.2
119.07787	5.1
119.08589	86.8
120.18327	3.3
121.06478	9.0
121.10150	52.7
123.08054	29.6
123.11707	8.6
125.09677	18.7
128.06206	14.8
129.06992	18.8
130.07800	9.9
131.08582	48.7
132.09329	5.6
133.06424	3.8
133.08615	3.3
133.10136	50.3
135.08043	21.5
135.11710	17.4
137.09604	11.1
139.11200	14.5
141.06993	10.6
142.07788	31.6
143.08583	50.0
144.09328	14.3
145.06485	9.2
145.09032	4.8
145.10133	70.9
147.08035	20.3
147.11682	22.1
149.09648	16.0
151.07533	12.0
151.23341	3.2
153.06966	3.4
155.08598	20.0
155.10658	17.3
156.09360	23.8
157.10130	78.4
158.10869	13.2
159.08009	11.9
159.11723	36.8
160.08920	18.0
161.09627	12.3
161.13268	7.0
163.07571	3.7
163.11160	15.3
165.07005	8.9
165.09065	19.2
165.12729	3.3
167.08577	12.4
167.10648	17.7
168.09308	6.0
169.10158	31.2
170.10851	10.1
171.11670	40.1
171.14055	3.2
172.12437	5.9
173.09590	10.1
173.13263	15.6
174.13641	3.2
175.11191	12.2
175.14748	3.7
177.12656	3.9
179.08549	12.2
181.10172	23.9
181.12256	28.1
182.10886	13.2
183.11707	30.7
184.12419	5.4
185.09659	5.8
185.13269	17.8
186.10410	5.1
186.14185	4.2
187.11218	10.2
187.14835	8.5
189.12746	10.5
190.13531	6.7
191.10825	3.8
191.14351	7.4
193.10152	16.4
193.12184	4.7
194.10890	9.4
195.11719	20.8
195.13388	3.5
196.12375	13.6
197.13289	30.3
199.11211	8.1
199.14804	12.5
200.11917	4.0
201.12738	6.9
201.16365	3.4
203.14340	15.2
205.10129	5.5
206.10854	7.1
207.11687	14.0
207.13725	8.0
208.12561	7.2
208.14427	5.5
209.13318	28.1
209.15207	6.4
210.13968	4.5
211.11194	3.5
211.14854	14.4
213.12726	8.4
213.16289	5.7
215.14314	14.2
217.15808	3.8
219.11606	4.6
220.12440	7.3
221.13252	12.8
221.15318	56.1
222.15700	4.5
223.14735	16.0
224.15607	5.9
225.12790	6.8
225.14835	13.7
227.14323	8.0
229.15935	3.5
231.11734	4.8
231.13896	4.7
232.12474	4.0
233.13237	6.2
233.15337	37.2
234.16109	11.5
235.14757	7.7
237.16403	8.4
239.14162	4.5
239.17953	8.0
245.13324	3.6
247.14697	6.1
247.17038	9.5
248.12798	7.3
249.16426	7.1
250.17134	3.8
251.18091	5.6
253.12344	3.5
253.15935	4.1
255.17332	21.0
261.16376	4.6
263.17908	7.6
267.17453	4.7
269.19064	5.9
270.19730	5.3
273.18582	7.6
275.17749	6.0
285.18607	4.2
286.19382	6.5
287.20093	30.0
289.19449	3.9
297.18811	4.9
299.20053	11.3
312.20651	5.1
325.21750	6.8
337.21570	7.6
347.23550	3.6
349.25284	5.6
352.23965	47.6
365.24731	12.8
367.26343	5.9
383.25891	7.1
399.26605	6.2
525.35956	9.2
538.36646	65.7
582.40637	5.9
600.41547	6.2
618.42725	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19913	2.5
53.03950	13.0
55.01884	7.0
55.05513	41.6
57.07084	9.9
59.05001	4.8
65.03954	4.6
67.05499	30.1
69.03429	13.1
69.07076	25.9
69.38629	29.6
71.05004	6.1
79.05495	49.9
80.06281	3.8
81.03426	3.7
81.07063	52.2
83.04987	25.0
83.08624	60.4
85.02888	3.7
85.06548	8.0
87.04487	5.8
88.59176	2.9
91.05479	59.1
93.07051	75.0
94.07369	4.1
95.04988	35.7
95.08617	41.2
96.08974	3.4
97.06540	25.7
98.21127	15.2
99.04475	5.5
103.05481	3.4
105.07040	100.0
106.07356	3.2
107.04947	3.9
107.08607	74.3
108.08866	4.2
109.06507	18.5
109.10177	34.5
111.08081	5.7
113.09656	9.4
115.05449	5.9
116.06247	3.7
117.07049	23.7
119.04988	3.7
119.08581	97.6
121.06535	9.4
121.10153	56.3
123.08089	24.0
123.11720	8.6
125.09682	17.9
128.06253	14.5
129.07043	21.9
130.07797	8.7
131.08574	56.1
132.09390	4.2
133.06567	3.8
133.10121	53.2
134.10721	3.6
135.08057	18.2
135.11713	11.1
136.06187	17.1
136.08734	3.5
137.09612	7.9
139.11197	15.3
141.07027	13.8
142.07793	31.9
143.08575	57.0
144.09299	15.1
145.06512	7.9
145.10139	82.3
145.11287	5.4
146.10840	5.4
147.08095	20.2
147.11731	23.3
149.09647	19.6
151.07545	8.5
153.07034	5.4
155.08594	22.6
155.10690	14.2
156.09367	24.9
157.08929	5.2
157.10149	67.6
158.07236	4.3
158.10854	10.1
159.08041	18.0
159.11690	33.4
160.08841	12.5
160.12047	4.0
161.09679	16.4
161.13303	9.0
163.11218	12.3
164.11552	4.3
165.07010	7.1
165.09140	9.2
165.12657	4.6
166.07851	4.6
167.08638	10.8
167.10707	20.7
168.09322	5.8
169.10170	29.0
169.12169	3.5
170.10899	7.4
171.10213	5.9
171.11659	38.2
172.12390	3.7
173.09662	9.9
173.13339	21.8
175.11227	10.5
177.12721	6.5
179.08633	10.3
179.14352	5.7
180.09398	4.0
181.10210	18.9
181.12248	27.2
182.10880	12.9
183.11678	22.2
184.12294	6.6
185.09633	5.3
185.13249	22.2
186.14011	7.2
187.11195	9.0
187.14833	13.0
189.12794	11.1
190.13412	5.7
191.14333	9.3
193.10114	15.5
194.10895	8.4
195.11754	28.6
196.12463	10.6
197.13266	41.5
198.13834	4.5
199.11183	7.4
199.14824	11.3
200.15433	3.9
201.12775	5.8
201.16112	3.4
203.14403	5.6
206.10901	9.8
207.11694	13.2
207.13756	8.6
208.12512	9.6
208.14354	6.8
209.13306	22.3
210.13995	7.2
211.11208	4.7
211.14874	22.4
213.12737	8.7
213.16350	5.0
215.14285	17.6
217.10275	4.6
219.11752	8.3
221.13220	13.8
221.15421	41.1
222.15807	10.4
223.14920	14.2
224.15622	3.7
225.12732	6.4
225.14519	17.3
227.14281	3.3
231.11739	5.0
231.17488	4.7
232.12434	4.1
233.13229	9.3
233.15404	35.3
234.13919	6.5
235.14795	13.2
237.16380	10.6
239.14383	4.8
239.17938	4.4
245.13390	4.8
247.14795	6.0
247.17033	8.0
249.16386	10.1
250.17313	4.1
251.17986	4.3
252.18718	4.2
253.15770	5.2
255.17429	28.9
261.16370	7.7
263.17947	7.7
265.19540	6.8
267.17267	3.7
269.19077	8.7
270.19745	6.4
273.18625	5.4
277.19516	4.7
281.18951	7.4
283.20609	4.6
284.21478	3.3
285.18668	6.4
286.19281	4.8
287.19897	11.3
295.20523	3.2
299.20129	5.3
309.18542	4.2
313.21729	4.4
313.99350	3.7
333.22177	4.7
337.25244	4.7
347.23767	4.3
349.25424	6.4
361.25415	4.6
365.24731	10.2
367.26413	5.5
383.25784	12.2
399.26715	4.2
429.31805	5.1
471.69870	3.6
600.41626	8.9
618.42621	30.8
624.26575	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	618.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.05504	19.4
56.00648	3.0
57.07082	14.5
59.04995	4.5
67.05497	17.7
69.03418	6.4
69.07052	9.8
69.56678	20.2
79.05492	22.2
81.07060	26.6
83.04968	8.8
83.08613	38.1
85.06519	6.4
87.04462	70.9
89.06023	9.4
91.05472	30.2
93.07035	32.9
95.04958	18.5
95.08605	26.0
97.06512	11.3
98.20738	5.3
98.21322	8.3
99.04400	4.2
103.05444	3.8
105.07024	100.0
106.07349	11.3
107.04898	3.9
107.08581	27.3
109.06516	19.9
109.10155	13.6
113.09590	5.2
117.06999	14.3
119.08582	50.7
121.06503	9.4
121.10161	15.0
123.08086	16.3
123.11689	3.5
124.08336	3.6
124.50849	2.9
125.09612	8.9
129.07030	14.4
130.07776	3.2
131.08553	27.0
133.06558	3.4
133.08614	4.6
133.10156	21.6
135.08034	9.7
135.11639	4.3
137.09598	5.7
139.07487	3.7
139.11174	4.6
141.06917	3.8
142.07739	10.6
143.08548	24.8
144.09309	9.1
145.09166	4.3
145.10132	40.5
147.08022	20.1
147.11674	10.8
149.09596	10.6
151.07562	7.8
155.08522	9.1
155.10623	3.6
156.09329	8.0
157.10112	44.8
158.10913	6.5
159.08070	4.8
159.11649	14.3
160.08855	7.0
160.11993	2.8
161.09610	9.2
161.13268	7.3
163.11148	11.7
165.09088	23.5
167.08559	6.1
167.10667	5.1
169.10077	14.3
171.11659	21.6
173.09627	8.9
173.13226	7.2
175.11253	14.2
175.14938	3.4
177.09149	3.1
177.11156	3.1
179.08557	3.1
181.10144	12.0
181.12183	16.8
182.10886	5.8
183.11676	13.2
185.09595	3.1
185.13202	9.0
187.11217	6.8
187.14798	4.7
189.09052	3.5
189.12709	7.1
193.10150	7.1
193.12190	5.9
195.11691	11.7
197.13242	11.4
199.11092	3.4
199.14880	4.2
201.12781	4.6
203.14313	11.8
207.11691	6.6
207.13802	8.0
208.14482	11.3
209.13231	12.4
209.15123	4.0
211.14832	6.8
213.12717	5.1
220.12544	4.2
221.15349	48.2
222.15782	4.2
223.14787	4.9
225.14792	9.5
227.14183	4.3
233.13185	4.6
233.15402	8.3
233.19102	3.8
234.16077	12.5
235.14742	5.7
237.16339	4.2
247.16962	9.2
271.16983	4.3
277.21887	3.5
286.19061	8.3
287.20020	36.5
299.20071	11.7
311.19931	5.6
312.20966	4.8
325.21518	9.6
337.21527	7.9
352.24002	56.3
365.24573	13.8
367.26175	4.6
395.26031	4.9
446.30060	3.3
525.35742	6.6
538.36523	77.8
578.36530	3.4
600.40912	6.5
618.42755	27.9
619.43933	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	618.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.6
55.05516	32.5
57.07076	18.3
59.05016	3.9
67.05511	16.2
68.05813	2.8
69.03432	9.9
69.07073	9.9
69.94101	9.8
69.94479	5.1
71.04973	3.0
76.25478	2.6
79.05494	22.4
81.07067	32.6
82.07388	3.7
83.04982	8.3
83.08624	33.6
85.06546	9.3
87.04474	37.2
88.90405	2.5
89.06039	2.9
89.67014	2.8
91.05496	34.0
93.07042	42.5
94.88222	2.8
95.04975	19.0
95.08620	24.6
97.06503	13.9
98.21164	7.8
99.04467	3.0
105.07040	57.6
107.04979	4.4
107.08598	41.3
108.08882	3.1
109.06549	15.4
109.10190	18.4
111.08113	2.5
115.05474	3.1
117.07053	14.0
119.05029	3.0
119.08593	55.7
121.06517	9.4
121.10130	22.7
123.08089	19.0
125.05984	5.8
125.09665	3.7
128.06262	9.5
129.07027	13.9
130.07808	5.4
131.08577	31.9
133.06508	5.0
133.10162	27.1
135.08066	16.2
135.11734	9.1
137.09601	10.4
139.11194	5.8
141.07028	5.7
141.97571	2.4
142.07765	14.7
143.08566	23.5
144.09357	7.7
145.06454	4.8
145.10123	42.4
147.08040	23.2
147.11687	11.0
149.09650	11.7
151.07555	11.0
153.07011	4.0
153.09149	4.0
155.08575	11.1
155.10620	4.5
156.09357	11.0
157.10132	46.8
158.10890	7.3
159.08014	7.3
159.11674	21.5
160.08839	10.1
161.09657	13.2
161.13290	3.5
163.11128	16.0
165.09140	28.5
165.12749	2.7
167.08530	3.3
167.10698	3.0
168.09285	4.3
169.10184	15.5
170.10828	4.2
171.10277	5.0
171.11678	27.7
172.12375	5.4
173.09680	8.1
173.13258	10.6
175.11212	11.7
175.14740	3.2
177.09129	2.9
177.12762	3.2
179.10616	4.2
180.09402	3.2
181.10147	7.6
181.12207	18.9
182.10873	5.2
183.11678	17.7
185.09683	3.5
185.13234	10.5
187.11276	5.6
187.14803	7.3
189.12794	10.1
190.13445	7.9
191.14395	6.4
193.10130	6.8
193.12169	4.4
194.10825	3.2
195.11757	11.4
195.13811	4.7
196.12527	4.0
197.13248	11.6
198.13931	3.0
199.11266	4.2
199.14778	5.0
201.12758	7.0
203.14326	14.3
207.11800	5.4
207.13832	12.2
208.12531	3.8
208.14589	11.7
209.13374	15.8
209.15218	4.3
211.11208	5.2
211.14899	8.3
213.12718	6.6
215.14424	3.4
219.11632	3.4
219.13779	2.7
221.13324	4.9
221.15344	60.9
222.13911	3.9
222.15858	6.8
223.14850	4.2
224.15407	2.5
225.12770	5.4
225.14857	7.0
229.15906	4.1
233.15393	9.9
234.16119	12.6
235.14801	7.7
237.12827	4.8
237.16374	4.0
247.14738	3.2
247.16992	8.3
248.17648	3.9
251.14153	3.6
253.16014	4.4
259.16968	3.5
260.17630	3.4
261.16241	3.3
263.17911	3.5
269.19034	3.3
271.16953	5.1
274.19489	4.6
286.19235	9.8
287.20108	41.0
297.18549	3.1
299.20135	11.8
300.20801	3.4
303.19513	6.2
312.20795	6.3
317.25021	4.0
318.25073	5.9
325.21591	11.0
329.20987	4.6
337.21701	7.0
352.23969	69.7
365.24930	16.8
367.26364	5.5
395.25690	8.0
438.31497	4.0
472.32068	5.3
525.35834	10.2
526.36072	4.8
538.36584	100.0
600.41040	7.3
618.42456	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75714	1.4
53.03951	2.1
55.01866	1.7
55.05513	9.1
56.96574	1.3
57.07085	8.2
57.07329	1.3
59.05003	3.3
65.03945	3.1
66.38460	1.5
67.05503	15.0
69.03435	8.3
69.07071	8.3
70.64007	2.0
70.64346	2.2
71.04998	1.7
79.05488	15.5
81.03427	2.6
81.07059	22.2
83.04977	6.4
83.08631	2.6
85.06553	3.3
90.66856	1.4
91.05485	23.9
93.06467	3.0
93.07047	29.8
95.04970	9.3
95.08608	21.9
97.06544	7.2
98.20953	2.1
103.05473	2.6
105.07037	39.5
107.04982	2.5
107.08595	23.0
109.06506	12.0
109.10162	10.3
111.04475	1.7
111.08106	2.7
115.05509	2.0
117.07010	10.3
119.08578	37.4
121.06516	5.2
121.10159	20.5
123.08075	22.2
123.11687	2.8
125.05998	10.0
125.09633	1.8
128.06255	5.6
129.07014	8.7
130.07822	3.6
131.08562	19.8
133.06546	2.6
133.10138	22.0
135.08075	13.5
135.11700	8.0
137.06013	2.8
137.09610	11.7
139.07635	1.9
139.11244	1.9
141.07004	4.4
142.07799	12.9
143.08557	18.4
144.09384	4.5
145.10130	29.1
147.08078	16.1
147.11676	6.7
149.09641	7.0
151.07544	23.6
151.08620	2.0
151.11180	2.1
153.09189	3.1
154.07838	2.2
155.08527	7.3
156.09352	9.0
157.10139	22.1
158.10919	2.1
159.08115	3.0
159.11693	14.3
161.09654	6.5
161.13232	7.9
163.11220	13.6
165.09129	34.3
167.08635	4.6
167.10719	5.4
168.09383	3.0
169.10100	8.8
170.10963	3.8
171.11705	15.3
173.09602	2.6
173.13344	5.2
174.10490	2.3
175.11095	2.6
175.14899	2.3
177.09198	3.0
179.08659	2.9
181.10136	3.0
181.12230	15.4
182.10962	3.5
183.11711	8.1
185.13283	8.0
187.11247	6.0
189.12721	6.8
191.14325	2.6
192.09399	1.7
193.10234	4.1
193.12207	1.7
194.11060	2.0
195.11734	7.3
196.12469	1.8
197.13313	7.3
199.14899	6.0
201.12816	3.6
203.14340	15.7
204.14920	1.5
206.11011	1.7
207.11771	4.0
207.13885	10.4
209.13287	5.7
209.15428	5.5
211.11269	2.3
211.14951	4.7
212.08421	1.4
213.12714	2.3
215.14357	3.5
220.12469	1.5
221.15367	100.0
223.14783	2.4
225.12735	1.8
225.16510	3.7
227.14418	2.4
231.13786	2.0
233.13333	3.1
233.15521	3.5
235.14914	3.2
241.16147	1.6
247.14865	2.9
249.16541	1.6
253.15921	1.8
261.16409	1.9
271.17014	3.0
273.18600	1.9
286.19366	14.5
287.20193	2.9
297.18530	1.8
299.20145	4.9
300.20932	2.2
311.20206	1.7
312.21005	3.3
313.21634	2.4
317.17590	1.5
470.00714	1.4
507.35284	2.0
525.35760	2.0
537.35962	5.0
595.43927	1.4
599.40906	9.6
617.23187	3.7
617.42151	57.1
624.52618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.2
55.01874	6.2
55.05514	36.6
55.70122	4.1
57.07066	18.4
65.03919	7.0
67.05507	51.6
69.03425	18.1
69.07066	31.1
69.78451	20.6
73.06564	4.2
79.05492	56.2
81.07059	66.8
83.04983	32.8
83.08619	29.1
85.06525	8.4
87.04479	5.6
91.05484	60.4
93.07044	85.9
95.04982	29.8
95.08620	45.3
97.06513	21.2
98.20936	12.5
103.05492	6.8
105.07027	100.0
105.07677	8.9
107.08602	88.8
108.44254	4.4
109.06535	23.6
109.10157	31.8
111.08076	4.4
111.60000	4.1
113.09623	5.9
115.05453	9.3
116.06300	4.3
117.06992	22.7
119.08577	70.7
121.06523	11.3
121.10136	85.4
123.08086	34.2
123.11690	13.8
125.05999	19.5
125.09657	13.8
128.06244	16.2
129.06989	26.9
130.07805	9.0
131.08588	57.1
133.06480	9.7
133.10127	50.6
135.08035	23.7
135.11684	11.2
137.09662	10.0
141.07022	14.3
142.07727	24.1
143.08549	47.8
144.09288	9.5
145.10121	77.7
147.08057	24.5
147.11716	24.1
147.12657	5.0
149.09627	31.4
151.07536	13.0
151.11197	5.0
153.06970	4.7
155.08537	23.4
155.10628	5.0
156.09344	19.9
157.10112	49.2
159.08072	19.9
159.11694	46.9
161.09601	11.4
161.13287	8.0
163.11154	32.3
165.06982	9.9
165.09131	25.4
167.08517	14.8
167.10667	77.9
168.09325	5.9
169.10133	27.8
170.11002	5.7
171.11667	37.3
173.09660	13.6
173.13254	19.5
175.11200	14.3
175.14879	5.3
177.12720	4.3
179.08643	12.5
179.10794	5.2
179.57787	4.6
180.09361	5.3
181.10176	22.0
181.12187	36.1
182.10957	5.4
183.11653	22.4
185.13264	17.7
187.11203	5.9
187.14818	6.8
189.12747	14.0
191.14297	6.4
192.09395	5.0
193.10164	14.6
194.10898	7.4
195.11656	21.5
196.12585	7.7
197.13272	29.2
199.11185	7.7
199.14796	9.6
201.12744	9.4
203.14310	12.8
206.10956	7.7
207.11652	12.1
207.13638	8.8
208.12508	8.6
209.13210	22.3
211.14838	11.7
219.11867	5.9
219.13799	4.5
220.12483	5.7
221.13237	12.0
221.15387	41.8
223.14836	18.5
225.12743	7.5
229.15862	7.0
233.13258	10.5
233.15434	26.5
235.14835	10.5
235.16982	6.9
237.16321	9.1
241.15765	4.7
247.14835	5.2
249.16376	6.4
251.18399	5.8
269.18973	10.4
285.18533	6.5
287.20090	6.2
299.20120	8.6
300.20953	5.1
311.20148	5.6
365.24796	7.5
468.86972	4.6
516.27515	5.4
581.39917	5.8
590.99597	5.0
599.40906	16.7
617.41650	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.6
54.93943	4.2
55.05510	28.3
57.07069	12.9
57.20344	4.5
63.61664	4.1
67.05499	33.4
69.03416	16.7
69.07069	20.7
70.78912	4.2
74.12584	4.1
79.05499	34.3
81.07053	54.0
82.03134	4.1
83.04991	31.0
83.08605	12.7
85.06530	8.0
91.05479	60.0
93.07045	81.1
95.04980	32.9
95.08602	37.2
97.06528	20.1
98.20657	9.1
105.07038	100.0
107.04965	4.3
107.07951	6.2
107.08603	68.0
109.06519	23.3
109.10143	28.3
111.08074	8.5
113.42907	3.8
115.05452	7.4
116.98820	4.6
117.06980	22.7
119.08581	59.3
121.06499	15.1
121.10152	81.0
123.08040	20.8
123.11674	11.5
125.05988	21.1
125.09624	15.3
128.06177	20.0
129.06999	15.9
130.07771	9.2
131.08572	46.0
133.06490	7.8
133.10115	42.9
135.08049	14.0
135.11658	14.3
137.09587	16.3
139.11198	7.3
141.06981	12.7
142.07762	19.8
143.08568	38.7
144.09273	10.3
145.06496	8.1
145.10147	63.4
147.08035	15.3
147.11665	15.7
149.09576	24.1
151.07535	16.9
151.11194	5.7
155.08569	16.4
156.09367	11.7
157.10153	46.5
158.10904	6.1
159.08028	14.7
159.11676	36.9
161.09604	16.5
161.13254	10.3
163.11172	39.5
165.07022	7.8
165.09163	10.7
167.08525	11.5
167.10677	71.5
168.09393	6.4
169.10121	27.3
170.10893	7.8
171.11694	32.4
173.09618	10.7
173.13234	18.6
175.11205	15.1
177.12709	5.1
179.08534	14.1
181.10129	12.9
181.12230	26.2
182.10893	8.7
183.11658	22.5
185.09628	5.7
185.13281	13.0
185.23711	4.6
187.11186	7.4
187.14754	8.0
189.12781	9.2
191.14273	8.5
192.09335	6.5
193.10222	12.1
195.11729	24.4
196.12439	9.6
197.13287	21.2
199.14824	12.5
201.12682	6.8
203.14307	9.5
205.10159	7.3
206.10927	5.3
207.11674	16.3
207.13803	15.0
208.12402	7.2
209.13243	12.9
211.11179	5.5
211.14789	12.0
212.32578	4.6
213.12843	5.5
215.14296	9.6
219.11690	4.8
220.12511	5.0
221.13495	7.8
221.15408	18.8
223.14827	17.3
223.28125	6.2
225.12794	4.4
225.16379	8.9
227.14296	5.5
231.11684	5.5
232.98277	4.3
233.13322	6.7
233.15382	27.8
235.14845	8.3
237.16467	6.6
245.13022	4.5
257.12949	5.2
261.16425	7.7
263.17911	5.4
273.18784	5.4
277.19559	4.2
281.18951	7.5
299.20026	11.3
382.04205	4.6
391.26535	5.4
402.43201	4.5
443.81329	5.1
444.54346	4.9
581.39331	7.4
599.40833	21.1
617.42206	49.3
642.85828	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	616.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00942	1.5
53.03948	3.4
55.01883	6.7
55.05259	2.2
55.05512	27.3
57.03416	4.1
58.45454	1.4
58.99573	6.4
63.02439	1.5
67.05506	23.6
69.03415	5.6
69.07073	11.1
69.75383	7.7
70.06582	3.3
71.04977	3.6
76.02225	25.9
79.05490	27.7
81.03418	41.2
81.07056	49.1
83.04974	19.2
83.08189	2.1
83.08615	21.1
84.04519	8.6
84.08123	2.1
85.02925	2.0
85.06570	1.7
86.99060	1.7
91.05484	20.9
93.07047	22.1
95.04974	31.8
95.08611	12.7
97.02890	3.6
97.06528	5.4
97.10179	12.9
98.21034	4.5
99.08104	1.9
99.38113	1.3
100.48299	1.5
105.07042	17.3
107.04998	8.8
107.08593	13.6
109.06511	5.4
109.10143	6.5
111.04450	4.7
111.08085	9.4
116.01668	5.9
117.06998	5.9
119.04900	1.6
119.08582	21.7
121.06502	5.9
121.10133	8.1
123.04443	1.8
123.08064	15.1
123.11721	1.7
125.09634	10.9
129.07022	6.7
129.10165	1.8
130.04980	5.4
130.06517	4.8
131.08578	10.0
133.06485	3.2
133.10094	6.7
135.08063	4.4
135.11703	3.8
137.09625	8.1
142.03239	2.2
143.08545	4.0
144.01170	3.9
145.10132	9.2
146.31718	1.5
147.08078	8.7
147.11707	9.1
149.09610	4.9
151.07570	1.8
153.09056	1.9
153.12726	3.2
157.10123	11.7
159.08052	1.7
159.11615	2.3
159.62317	1.4
161.09619	3.6
162.02232	15.2
163.11154	5.6
165.09079	2.5
169.12144	2.6
171.11816	1.8
172.52309	1.4
175.11214	10.0
177.03300	1.5
179.04857	30.8
179.06432	1.7
181.12234	2.6
187.11346	1.5
187.13307	4.7
189.11211	9.7
191.10692	2.9
193.12234	32.8
205.12125	1.8
211.13290	100.0
215.04933	1.6
223.13287	16.6
227.12807	5.3
233.05899	8.0
239.12799	3.8
245.05927	2.7
245.19095	1.5
249.14761	1.7
255.17317	3.2
263.27817	1.4
266.15863	1.9
273.18503	18.8
291.19528	54.1
308.09070	31.2
308.12378	2.6
309.20566	13.5
343.92172	1.6
403.42926	1.6
469.22504	1.6
616.33173	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01869	2.8
55.05511	5.8
56.05033	3.7
56.12941	1.0
57.98813	1.3
58.99581	10.7
61.01166	1.2
65.03941	1.3
67.05508	16.7
69.03433	1.9
69.07075	8.0
70.02953	17.3
70.06593	3.4
71.04983	2.2
72.04501	1.3
74.00670	4.0
74.02463	2.7
76.02227	33.1
76.04005	7.9
79.05486	12.6
80.05021	1.7
81.07059	21.3
82.06593	1.2
83.04985	5.8
83.06099	3.9
83.08619	3.2
84.04512	11.7
84.08128	1.6
85.01102	1.7
85.02908	1.6
85.06548	2.7
86.00666	2.7
86.99062	4.0
87.02708	1.3
88.02244	1.5
88.03986	2.1
91.05486	15.6
93.07050	15.2
94.06581	1.3
95.04975	4.9
95.08620	9.2
97.01128	4.3
97.06542	1.7
98.09699	1.2
99.01446	1.5
99.05580	7.4
100.02192	3.1
102.00132	3.8
105.07029	15.5
107.04944	3.4
107.06116	1.4
107.08607	12.5
109.06548	2.2
109.10167	16.1
111.02649	1.2
111.08071	2.9
111.93020	1.2
112.02186	2.8
113.04218	1.3
114.03800	1.8
116.01685	18.1
116.03442	2.1
117.07053	1.8
119.08585	4.5
120.08128	1.8
121.06532	3.7
121.10147	3.7
123.08076	1.1
123.11739	2.6
125.04257	1.3
125.07120	2.2
126.03765	1.3
127.07530	2.0
129.06613	2.2
130.05019	6.5
130.06551	2.7
131.08580	3.9
133.10130	22.9
135.08023	5.8
135.11714	2.7
137.09595	3.3
142.03242	6.6
142.04156	1.0
143.08553	1.9
144.01149	7.8
145.06084	100.0
145.10117	3.6
147.08047	1.4
147.11670	1.5
149.09692	2.0
151.05771	3.2
151.11200	10.4
153.06514	1.6
157.10052	1.9
159.11742	1.3
161.09601	3.1
162.02206	18.8
163.11246	1.3
169.06960	2.3
169.12270	3.4
170.02730	2.6
173.09618	1.4
177.03275	3.5
179.04869	32.8
179.10629	1.9
181.06194	1.5
187.05357	2.0
199.07155	3.3
215.04956	1.5
215.12802	3.7
233.05890	6.3
236.11073	1.9
243.10536	1.3
245.05872	1.7
250.12584	1.5
254.12177	5.7
268.13577	2.0
272.13049	1.4
273.18466	6.2
274.10287	4.8
286.14780	2.3
291.19507	18.2
296.13019	1.0
297.12628	2.3
308.09106	4.3
309.20630	5.1
311.14352	1.6
323.17105	1.6
339.13861	1.9
348.19656	2.7
349.18411	1.2
357.14728	4.4
366.20956	7.8
371.16360	7.0
384.22107	10.4
451.22586	13.7
469.23688	30.2
480.49536	1.6
487.24496	2.9
512.03345	1.2
541.26141	6.7
616.28741	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	614.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.8
55.01865	8.6
55.05501	35.8
57.03432	21.7
57.07058	10.6
57.08771	4.8
65.03931	6.0
67.05508	85.1
69.03440	11.7
69.07068	32.2
69.31151	48.3
71.04995	8.1
79.05523	40.7
81.03418	86.7
81.07056	91.2
83.04986	13.4
83.08626	32.7
85.06541	6.0
89.06033	39.6
91.05473	53.5
93.07047	48.1
95.04976	55.8
95.08607	52.7
97.06524	20.2
97.08682	4.6
97.10146	10.4
98.21111	28.4
104.89117	5.0
105.07041	50.1
107.04951	7.5
107.08582	33.0
107.50365	8.1
109.10168	33.4
111.08106	6.7
115.05460	7.0
117.07014	18.5
119.08598	35.8
121.06487	6.9
121.10136	30.3
123.08088	9.9
123.11702	11.7
125.05972	11.1
128.06258	7.8
129.07014	16.2
131.08563	23.2
133.06503	7.9
133.08612	21.8
133.10143	22.0
135.08043	13.3
135.11717	8.1
137.05994	5.7
137.09599	6.6
141.06989	7.7
142.07822	7.9
143.08569	24.8
145.10132	28.7
147.08057	8.6
147.11693	13.4
149.09608	12.9
155.08540	6.5
156.09387	12.3
157.10141	23.3
158.10936	8.3
159.07990	8.3
159.11665	15.4
161.09625	10.1
163.11165	12.0
166.07756	5.3
169.10194	8.0
171.11659	6.6
173.09698	8.4
175.11197	13.6
179.08585	7.6
181.10130	7.5
185.09680	6.2
185.13319	7.1
193.10216	8.9
193.12241	28.9
195.11780	7.3
197.13359	7.5
199.11185	10.8
207.11716	9.4
209.13211	6.3
215.10732	5.5
221.13362	7.1
223.14818	8.4
232.12411	6.7
267.15906	100.0
273.18610	7.1
298.96704	5.8
305.17416	11.1
331.19012	7.1
337.27347	88.3
352.23978	33.0
380.56323	7.1
384.22922	24.6
402.96747	5.3
415.25259	20.8
476.28860	18.0
529.38837	75.8
547.39630	19.7
587.75519	5.6
614.30615	8.0
614.39526	49.0
614.48376	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	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.95063	1.1
52.00112	1.2
53.03952	3.4
55.01881	1.6
55.05515	18.7
57.03442	6.1
57.07067	4.8
65.03950	2.2
67.05506	55.1
69.07070	19.1
71.08627	2.0
79.05048	2.3
79.05496	32.3
81.07057	63.3
83.08616	9.4
85.06530	1.4
91.05480	27.3
93.07051	36.9
95.04964	3.8
95.08611	48.0
97.06541	3.3
97.10172	6.6
98.20847	4.9
98.21516	2.9
102.54025	1.3
105.07033	29.7
107.08599	24.9
109.06499	1.4
109.10155	23.1
111.08080	2.2
111.11698	1.3
117.07021	8.9
119.08582	25.7
121.10138	21.0
123.11737	9.9
128.06352	1.5
129.07011	5.7
131.08565	21.9
133.10135	20.9
135.11696	16.1
137.13255	1.9
143.08586	8.4
145.10121	16.7
147.11710	12.0
149.13297	8.0
151.14763	2.0
152.40710	1.2
155.08638	2.5
157.10136	7.2
159.11681	16.0
161.13232	12.3
163.11165	1.2
163.14911	3.2
169.10100	2.2
171.11690	7.5
173.13312	10.7
175.14833	5.8
177.16386	1.8
183.11722	1.7
185.13306	5.2
187.14833	7.4
189.16393	2.9
195.11665	1.2
197.13362	2.1
199.14853	4.3
201.16388	3.0
203.17917	1.7
213.16418	2.4
217.19592	1.9
229.19588	1.2
241.19528	3.6
243.21191	3.5
245.22507	1.4
257.18930	1.6
259.20578	7.6
261.22113	8.4
275.20209	1.3
287.23657	2.0
313.25153	1.6
317.24982	2.9
333.24240	6.7
335.25790	13.2
337.27328	7.1
475.33612	1.4
521.43579	4.6
529.38837	2.2
539.44623	3.4
595.47363	12.5
605.03009	1.6
613.48260	100.0
614.48438	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.80611	0.8
53.03939	3.0
54.64796	0.8
55.05513	17.1
57.03434	6.4
57.07073	4.9
65.03935	4.0
67.05507	54.8
69.06716	1.6
69.07069	21.0
70.70788	1.5
70.71117	1.4
71.04982	1.5
71.08633	1.5
79.05495	33.7
79.05956	2.0
81.07059	60.1
83.04971	1.2
83.08618	8.5
85.06518	1.4
87.04441	0.9
91.05482	25.7
93.07047	41.1
95.04974	2.4
95.08609	49.7
97.06545	3.1
97.10183	6.0
98.21254	0.9
99.08056	1.7
103.05465	1.2
105.06486	0.6
105.07029	25.3
107.08592	25.8
109.10159	26.3
111.08077	2.0
111.11738	1.4
113.81958	0.8
115.05485	0.9
117.07024	9.9
119.08583	27.9
121.10158	22.6
123.08145	1.2
123.11714	8.8
125.09665	1.7
128.06285	1.6
129.06999	4.8
131.08572	24.5
133.10133	22.3
135.11694	16.1
137.13260	3.4
139.11177	1.1
143.08522	5.8
145.10127	19.4
147.11681	17.5
149.13272	9.9
155.08615	1.8
157.10112	7.3
159.11687	17.5
161.13281	11.7
163.14783	5.5
169.10139	3.4
171.11700	6.4
173.13260	11.5
175.14836	7.1
177.16451	3.5
183.11696	2.7
185.13290	6.2
185.23239	1.1
187.14856	6.7
189.16414	3.6
191.18037	1.2
197.13309	2.6
199.14883	4.2
201.16434	3.9
203.17998	1.3
211.14825	1.1
213.16391	2.9
215.17953	3.1
217.19556	1.1
219.17436	1.1
225.16420	1.3
227.18153	1.3
231.20946	1.2
233.19075	1.5
239.18021	1.2
241.19662	4.4
243.21149	2.2
247.20540	1.1
259.20599	10.1
261.04608	1.0
261.22131	12.4
263.23914	1.3
271.20688	1.2
273.22131	1.8
279.23288	1.9
287.23639	1.8
299.23611	2.0
315.26965	1.1
317.24875	3.4
327.26849	1.7
333.24179	5.8
335.25797	17.8
337.27405	10.8
351.28888	1.1
355.30243	1.5
393.31943	0.9
475.34189	1.8
489.35959	2.2
503.37280	2.5
521.43799	5.2
539.44702	4.2
543.40631	1.4
595.47192	12.5
613.48248	100.0
614.48419	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	613.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	5.3
55.01864	8.8
55.05505	28.5
57.03419	6.8
61.02931	25.7
66.70690	4.5
67.05507	34.7
68.78741	4.7
69.03416	9.6
69.07057	16.2
70.06579	18.5
71.04980	8.7
71.57479	6.8
73.02925	4.9
74.06081	5.3
79.05492	38.3
81.03413	13.2
81.07057	41.7
83.04991	6.2
83.05569	4.1
83.08620	11.3
84.04544	4.6
84.08135	12.5
85.02892	17.4
85.06520	4.8
86.09705	7.9
91.03943	10.3
91.05467	63.2
93.07049	34.0
95.04964	15.1
95.08611	29.5
97.02890	13.3
97.06544	9.2
98.21257	5.6
102.66027	4.7
105.07038	36.0
107.04978	5.2
107.08581	17.1
109.06453	6.4
109.10150	8.2
111.08091	7.2
115.05422	10.4
117.07014	36.5
119.08591	35.0
120.08097	4.3
121.06500	8.3
121.10136	19.4
123.08076	6.1
127.03924	11.9
128.06204	13.6
129.07013	47.8
130.05035	5.7
130.06512	7.3
131.08572	38.1
133.06487	6.1
133.10153	21.2
135.08058	8.4
137.09578	8.1
141.06964	16.1
143.08591	26.6
145.06450	12.3
145.10143	21.9
147.08023	18.6
147.11690	14.5
149.09612	17.7
151.11105	4.4
155.08597	24.0
157.06465	4.9
157.10156	32.4
159.08073	6.8
159.11697	19.2
161.09525	9.0
163.11203	7.5
165.06952	5.0
165.09117	7.6
167.08560	10.5
169.10135	23.9
170.10847	4.4
171.08037	6.2
171.11684	39.9
173.09647	12.4
173.13275	9.5
175.11150	10.2
177.09128	5.6
177.12807	6.7
181.10092	11.6
183.11703	19.1
185.09604	7.8
185.13263	13.8
187.11211	15.2
189.12787	4.4
191.10698	6.8
193.10054	7.7
195.11708	8.9
197.13341	9.5
199.11182	8.6
201.12665	10.0
207.11766	8.1
209.13174	8.8
211.11205	10.0
215.10661	5.1
221.13351	5.8
229.12268	8.2
257.15482	6.3
277.19516	4.7
290.66025	4.2
295.20651	26.3
307.36066	4.8
313.21582	51.8
315.23114	11.7
323.20157	41.1
331.22968	4.8
341.21060	44.0
359.22250	31.3
415.24841	62.2
433.25925	100.0
451.26791	23.6
595.30939	9.4
613.31842	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.1
59.67014	1.3
63.84497	1.4
67.05492	5.8
69.07065	3.0
79.05463	4.5
81.07035	4.7
83.08605	1.9
88.45981	1.2
91.05463	4.0
93.07027	5.5
94.87251	1.3
95.04919	1.8
95.08587	3.9
105.07003	2.3
107.33758	1.4
117.07001	1.6
118.06539	1.5
119.08557	2.0
121.10141	2.8
124.99973	2.2
131.08530	1.4
133.10098	4.0
135.08092	1.7
135.11740	1.9
144.08081	4.2
145.10054	2.4
158.09607	2.0
176.14360	8.8
177.14633	3.2
197.10831	1.5
202.15912	30.4
203.16255	19.9
220.16960	30.1
221.17303	13.8
235.12256	1.8
235.32484	1.4
290.12949	1.4
300.13577	23.0
301.13947	11.5
309.13129	1.2
314.16748	1.3
318.15598	1.7
337.15887	1.7
340.17938	1.4
353.17603	4.2
354.18802	1.9
364.17819	1.8
365.17877	2.1
367.19220	2.4
379.19641	1.7
381.16562	2.6
381.20889	3.1
382.17737	1.9
383.22473	2.9
388.56198	1.5
393.16589	2.1
395.18536	5.0
397.20248	2.4
409.20007	3.3
410.20895	2.7
411.22165	6.5
412.22086	2.1
421.20230	2.6
422.20987	2.5
423.21790	4.0
424.23083	2.3
425.19702	7.8
438.20627	4.0
439.21347	4.6
440.22189	4.3
453.22491	4.2
455.24991	1.8
456.21213	3.5
467.24759	2.3
469.22293	3.9
483.24808	9.9
484.24457	5.2
495.23557	2.9
496.24460	1.6
497.21960	7.9
509.25162	1.5
511.23157	2.5
512.24164	3.2
527.26697	9.9
537.25171	1.6
553.24847	1.6
569.27631	16.4
570.24390	8.9
571.25507	100.0
572.25879	3.4
587.02698	1.7
595.39166	3.5
613.26227	71.0
613.40314	15.3
614.27112	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	613.2655
Annotation	Karajinone B
Peak:m/z	Relative Intensity
60.18242	0.3
61.28483	0.3
63.71017	0.3
65.78335	0.3
67.05509	1.2
69.07063	0.5
70.33798	0.3
70.71263	0.4
70.71593	0.8
76.98458	0.4
79.05488	1.1
81.07040	1.3
91.05472	1.2
93.07034	1.2
95.04940	0.4
95.08630	0.8
97.06570	0.6
98.20904	0.5
105.07035	1.1
107.08565	0.9
109.06520	0.9
109.10163	0.5
114.43787	0.4
119.08570	1.6
121.10155	1.1
123.08084	0.7
129.06998	0.4
130.06535	1.0
131.08588	1.1
133.10126	0.6
145.10141	0.8
149.09641	0.5
157.10211	0.4
159.20251	0.4
183.11827	0.4
251.11568	0.6
263.11707	0.4
302.12982	0.5
312.21179	0.4
338.15924	0.4
353.17685	0.8
365.14133	0.6
366.14694	0.8
367.15372	1.0
367.19379	1.4
379.15555	0.8
380.16263	0.8
381.16916	2.0
382.18225	0.5
393.17340	0.5
394.18109	0.6
395.18808	3.6
396.19467	2.8
397.20276	1.2
407.18903	0.9
409.16418	1.3
409.20508	1.4
410.21313	0.9
411.22083	2.5
423.17624	3.8
424.19016	2.9
425.19815	0.6
436.19470	0.5
437.16013	1.8
437.20657	0.7
438.20618	2.1
439.21332	5.3
448.18774	0.7
449.19604	1.7
450.20676	1.2
451.16885	3.8
452.18375	1.3
453.19296	0.6
464.18304	0.6
465.18628	1.9
466.19705	4.0
467.20584	3.2
479.21051	2.7
482.23096	1.4
483.24094	1.4
484.24475	0.4
493.22354	1.7
497.18375	0.5
497.25452	1.4
510.22556	1.2
511.21796	0.5
512.24170	0.5
521.21838	0.6
525.25037	10.1
535.23431	1.4
536.24023	1.1
538.22058	1.7
539.23096	0.8
553.24500	17.6
554.25360	0.4
563.22791	0.5
581.23877	1.1
584.22638	0.6
585.27069	0.8
595.25555	2.3
595.39551	0.4
598.24500	0.7
601.08386	0.4
613.26544	100.0
614.27081	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	612.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.05516	22.3
57.03436	8.9
57.07053	4.4
65.03952	4.4
67.05504	52.3
69.07056	13.6
69.89108	13.1
69.89518	8.1
79.05489	35.3
81.03431	20.9
81.07061	58.3
82.07381	9.7
83.08600	4.7
91.05448	31.5
92.05832	4.5
93.07053	38.1
95.04978	9.8
95.08601	43.4
96.08945	6.7
97.06527	5.5
98.21477	4.5
105.07037	40.0
107.08610	28.1
108.08910	6.5
109.10162	22.7
117.07011	11.8
119.08593	32.9
120.08916	7.1
121.10164	22.3
129.07030	9.8
131.08572	17.4
132.08932	4.7
133.10133	21.4
134.10469	6.6
135.11703	13.8
136.12097	6.5
143.08517	10.5
145.10114	16.1
146.10466	5.5
147.11687	17.7
149.13257	7.4
155.08492	4.7
157.10060	9.4
159.11714	18.7
160.12029	7.0
161.13271	8.4
169.10124	8.4
171.11673	9.9
173.13239	12.3
174.13631	4.6
175.14787	4.8
185.13266	6.0
259.20499	8.8
260.21054	5.2
261.22290	6.6
267.15927	21.3
278.60159	3.4
283.26184	4.9
334.24591	6.2
335.25815	22.4
336.25983	8.7
354.28180	4.4
406.60416	4.5
527.37408	11.4
534.24640	5.4
545.38855	5.2
594.27094	8.0
594.46259	7.1
612.27850	31.8
612.36737	6.0
612.47107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2655
Annotation	Karajinone B
Peak:m/z	Relative Intensity
52.38985	0.9
53.03938	1.3
54.97243	1.1
55.05520	1.4
63.76750	1.1
67.05497	2.5
69.07098	1.8
70.76340	3.1
72.94819	1.2
79.05492	2.5
81.07075	2.9
86.80303	1.1
91.05494	2.2
93.07074	2.4
95.04967	1.2
98.21205	2.1
108.08170	1.3
109.06543	2.1
117.07037	1.2
118.54790	1.3
119.08604	1.7
120.04471	1.1
121.10173	1.4
129.07056	1.4
130.06503	1.6
131.07292	1.5
131.08627	1.2
133.10136	1.6
135.11646	1.3
136.07600	3.5
138.09187	1.7
138.69496	1.2
145.10190	1.6
146.09644	1.7
149.09657	1.5
163.63481	1.2
169.10126	1.4
171.11726	1.3
174.09106	6.4
187.12344	4.2
188.10709	3.3
199.08652	1.4
211.08754	1.4
215.11807	2.4
225.10265	3.7
227.11842	4.9
235.12335	1.4
237.10248	3.4
239.11905	2.9
241.09804	1.5
241.13394	5.8
243.11295	20.0
249.10265	2.4
251.11858	2.6
253.09746	2.8
265.09875	1.2
267.11252	7.2
269.12933	5.0
273.10150	1.3
277.09735	2.2
287.14053	5.3
295.10809	5.9
297.12564	1.6
300.11682	1.8
311.14038	3.3
314.12930	1.2
316.10791	2.2
327.13354	8.1
328.14606	2.4
330.12357	2.7
330.15997	1.8
331.13474	1.5
331.17084	1.2
334.15674	1.4
341.11694	2.0
342.12408	4.3
343.13208	1.4
344.14041	3.2
348.13412	1.8
354.12326	1.3
354.16092	2.2
356.14056	3.8
357.14929	3.3
358.15698	4.7
359.16049	1.3
360.17245	1.8
362.15152	1.5
370.15686	2.5
372.17300	5.5
373.17715	1.6
374.18884	3.1
376.16913	1.3
386.18982	1.3
393.18280	1.3
395.18762	1.4
400.16537	2.4
403.15536	1.5
416.16458	1.7
417.26498	1.5
418.17612	5.1
432.19098	1.6
434.21353	1.2
435.18491	2.6
436.18994	1.6
446.17291	2.4
447.17688	1.9
449.20142	2.7
458.17612	1.4
462.24457	1.5
465.19342	5.4
465.23856	1.8
477.19547	2.7
478.19910	2.9
479.20798	4.6
480.21753	3.0
481.22833	2.3
489.23135	1.5
490.19290	5.6
492.21866	1.8
493.22476	5.0
507.23737	4.0
535.23407	20.0
539.22693	1.8
553.24469	76.9
554.24927	3.9
563.23297	3.4
581.23975	54.8
582.24359	1.6
613.26605	100.0
614.26660	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01862	1.4
55.05262	1.5
55.05510	21.9
57.03435	6.5
57.07061	3.1
65.03928	2.6
67.05503	48.4
69.06709	1.7
69.07066	17.0
71.04986	2.2
71.08633	2.5
71.50422	2.1
79.05490	35.7
81.07056	49.4
83.04989	1.7
83.08627	9.8
85.06523	2.1
89.48006	0.9
91.05477	34.1
93.07041	38.9
95.04964	4.4
95.08604	40.2
96.14877	1.1
97.06537	4.3
97.10172	4.9
99.08070	1.6
103.05424	1.2
105.07032	32.0
107.08598	24.6
109.06539	2.7
109.10147	16.2
110.61497	1.1
111.08046	1.9
117.07004	13.1
119.08575	29.2
121.06581	1.2
121.10140	19.3
123.08081	1.7
123.11686	5.5
125.09629	1.9
128.06219	3.4
129.07001	9.0
130.07765	1.2
131.08566	25.6
133.10132	24.0
135.08061	1.2
135.11678	13.5
137.09650	1.3
137.13239	1.3
141.07014	4.1
142.07779	4.2
143.08559	13.5
145.10121	23.6
147.10620	1.9
147.11708	19.4
148.52914	1.0
149.09691	1.7
149.13245	7.9
150.68469	1.1
155.08577	3.9
156.09308	1.2
157.10129	14.4
159.11697	22.5
161.09659	1.2
161.13281	12.0
163.14871	3.0
165.12737	1.2
167.08600	2.7
169.10121	9.2
171.11681	13.4
173.13278	13.3
175.14854	4.6
177.16444	1.1
181.10182	2.1
183.11743	5.9
185.13243	12.6
187.14816	7.3
189.16406	1.7
195.11765	2.8
197.13271	6.4
199.14807	6.5
201.16432	3.6
203.14276	1.3
203.17957	2.1
207.11598	1.3
209.13268	1.9
211.14854	5.1
213.16455	4.1
215.18060	3.1
223.14749	1.6
225.16338	2.4
229.19571	1.9
231.21120	2.0
239.18037	2.2
241.19635	8.4
243.21117	2.6
253.19638	1.1
255.21315	1.2
257.19125	4.5
259.20557	19.8
261.22205	3.6
265.19733	1.1
271.20691	1.6
275.19888	1.2
289.25174	1.3
311.23593	1.3
313.25259	2.0
315.23453	1.3
333.24149	11.0
335.25806	16.7
337.27512	1.3
339.26996	1.4
379.29492	1.3
519.41901	7.0
537.43005	4.2
552.27515	1.1
593.45764	10.1
611.46692	100.0
612.47314	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.05511	20.7
56.87898	1.8
57.03431	6.1
57.07080	3.0
57.61454	1.6
65.03958	2.3
67.05504	39.8
69.07061	17.2
71.04956	1.8
71.08891	2.6
73.04761	2.2
77.88396	1.6
79.05499	30.5
81.06579	2.2
81.07056	44.9
82.69903	1.5
83.08619	7.7
85.06551	3.2
91.05460	30.8
93.07047	35.5
95.04985	4.5
95.08606	35.2
97.10188	4.0
105.07033	30.3
107.08594	21.6
109.06512	2.5
109.10155	14.8
115.05479	2.3
115.43629	1.6
117.07015	13.2
119.08581	24.6
121.10139	18.3
123.08069	1.6
123.11697	4.1
128.06226	3.6
129.07011	9.7
131.08582	22.8
133.10132	20.8
135.11676	12.6
139.75471	1.7
141.07021	3.4
143.08571	13.2
145.10104	22.1
147.11679	15.3
149.13286	5.7
155.08571	6.6
157.10124	11.7
159.11707	17.8
161.13292	8.8
163.14948	2.0
165.33945	1.7
167.08594	1.9
169.10132	3.8
171.11714	12.5
173.13275	12.0
175.14789	3.7
181.10066	2.7
183.11751	6.9
185.13274	7.8
187.14845	5.0
189.16437	2.4
195.11565	2.3
197.13274	4.6
199.14876	6.9
201.16487	3.8
209.13104	1.7
211.15009	2.4
213.16414	4.0
215.18011	2.0
229.19476	2.6
239.17990	2.8
241.13385	1.8
241.19673	4.6
257.19101	3.5
259.20599	13.6
261.22360	3.9
275.20193	3.0
285.75082	1.7
333.24115	8.2
335.25836	17.4
352.49979	1.9
442.88812	1.7
519.42145	6.1
537.42993	3.4
541.39026	2.1
593.45654	7.1
611.46686	100.0
612.47211	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	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01875	1.4
55.05511	11.1
57.03428	3.1
57.07082	2.0
65.03946	1.1
67.05167	1.7
67.05508	26.4
69.07064	12.7
69.33645	1.0
69.33970	8.7
71.04992	1.3
71.08633	1.9
74.09717	1.9
79.05495	18.6
81.07059	26.4
83.04977	0.9
83.08610	6.9
85.06537	1.2
91.05462	15.6
93.07047	19.2
95.04990	1.8
95.08610	19.0
97.06550	2.2
97.10178	2.5
105.07027	15.8
105.07677	1.3
107.08599	12.0
109.10175	8.6
113.90460	0.8
115.05437	1.5
117.07021	8.6
119.08588	14.5
120.77371	0.8
121.10159	9.9
123.08094	1.1
123.11700	2.0
125.09653	1.7
128.06223	1.3
129.07005	9.2
131.07603	1.0
131.08571	15.2
133.10141	8.2
135.11710	4.9
141.06987	2.6
142.07735	1.5
143.08548	11.7
145.10115	15.0
147.11693	6.4
149.13280	3.0
155.08577	7.0
156.09331	1.5
157.10117	12.8
159.11681	9.5
161.13295	2.9
163.14841	1.6
167.08600	1.7
169.10115	9.6
171.11719	9.4
173.13266	5.4
175.14870	2.2
177.16405	1.5
179.14407	1.0
181.10136	3.8
183.11736	6.9
185.13251	7.9
187.14832	4.5
189.16400	2.3
195.11716	3.0
197.13290	6.0
199.14798	5.0
201.16437	2.2
209.13292	2.5
211.14871	4.1
213.16531	2.9
215.18045	3.0
217.19765	0.9
221.13263	1.1
223.14909	4.0
225.16452	3.0
227.18047	2.2
229.19533	2.0
232.90900	0.9
237.16441	1.9
239.18007	2.3
241.19643	2.2
243.21130	1.6
249.16512	1.6
251.18063	1.7
253.19626	1.7
265.19763	1.4
267.21014	1.3
275.20245	1.1
281.22968	1.0
283.20670	1.3
285.22269	1.1
311.23981	1.1
339.26926	1.2
353.28629	1.3
367.30316	1.5
381.31384	1.0
393.31821	1.0
395.33270	1.1
433.29666	1.2
435.32288	1.2
449.33609	1.5
450.19235	0.9
501.41568	1.3
513.35480	2.1
519.42059	9.2
537.42938	5.9
545.33667	0.9
593.45691	8.4
611.46753	100.0
612.47296	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	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71447	0.9
53.03940	2.8
55.01871	2.6
55.05261	1.3
55.05515	17.9
57.03439	5.1
57.07077	7.3
65.03939	3.4
67.05509	46.7
69.07071	16.1
69.29695	7.6
69.30103	2.6
71.04985	1.3
71.08636	4.6
73.06553	1.5
79.05495	33.9
81.07060	46.6
83.05006	1.7
83.08617	8.5
83.66425	1.1
85.10172	2.4
87.04490	1.6
89.06035	11.3
91.05477	34.8
93.07050	38.4
95.04964	3.4
95.08608	37.3
97.06554	3.8
97.10182	3.6
98.20792	3.1
98.21449	2.2
99.08086	1.8
105.07036	32.0
107.08601	22.1
109.06554	2.1
109.10159	15.8
111.08105	1.9
115.05485	2.2
116.25327	1.1
117.07032	14.0
119.08591	26.1
121.10148	18.1
123.08095	1.9
123.11736	4.1
125.09622	2.1
128.06210	1.4
129.07013	10.8
130.07825	2.1
131.06995	1.0
131.08582	24.6
131.09508	1.9
133.08594	6.2
133.10133	22.2
133.11075	1.7
135.08046	1.2
135.11693	12.9
139.11137	0.9
141.07053	2.6
142.07790	2.3
143.08563	12.3
145.10126	20.6
147.11711	19.0
149.13251	6.4
150.09845	1.0
151.94946	1.1
155.08586	6.9
156.09363	1.5
157.10146	12.5
159.11702	16.8
161.13271	11.7
161.89194	1.0
163.14841	3.2
167.08588	2.2
169.10126	6.4
171.11703	13.3
173.13269	12.2
175.14896	4.8
178.64311	1.1
181.10185	2.7
183.11717	7.0
185.13309	11.2
187.14864	4.5
189.16418	1.8
195.11771	1.8
197.13191	4.9
199.14876	7.1
201.16446	4.1
209.13364	1.7
211.14864	4.0
213.16348	4.9
215.18002	1.6
217.26663	1.2
223.14929	1.8
225.16373	1.4
227.18053	1.8
229.19643	1.5
231.17566	1.6
231.21120	3.4
239.17885	2.3
239.61250	1.0
241.19656	7.2
243.17349	1.1
243.21143	1.6
251.18205	1.3
253.66379	1.2
255.21419	1.3
257.19131	3.1
259.20557	17.6
261.22189	3.2
297.22498	1.2
311.23679	2.1
315.14676	1.2
315.23193	2.5
333.24188	11.2
335.25839	16.2
353.28391	1.7
472.36282	1.0
517.40271	1.1
519.42078	7.4
527.37518	1.3
537.42847	4.1
541.38910	2.3
555.42975	1.6
593.45776	8.2
594.15717	1.1
611.46716	100.0
612.47174	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	611.1605
Annotation	LMPK12111730
Peak:m/z	Relative Intensity
51.55703	0.3
53.03943	0.3
53.12087	0.3
54.36107	0.3
57.03421	0.3
61.02932	4.7
68.99809	0.3
69.03411	1.2
69.10564	0.3
69.67140	1.4
70.06586	0.4
73.02921	0.9
81.02944	0.3
81.03416	1.2
82.45242	0.4
84.04457	0.3
85.02911	5.4
87.29581	0.3
91.03977	2.4
91.04479	0.5
96.49128	0.3
97.02904	2.8
98.21220	1.2
109.02924	0.5
111.00790	0.7
115.03883	0.4
121.02864	2.7
127.03894	1.2
133.02934	0.4
137.02341	1.2
140.21013	0.3
145.04997	0.4
147.04364	0.4
147.07631	0.5
153.01822	3.8
157.06421	0.4
165.01805	2.5
177.05452	0.4
183.02824	0.9
185.05945	0.4
201.05505	0.7
213.05438	1.8
229.04970	1.1
231.06506	0.5
241.04973	1.1
257.04477	0.9
258.05225	1.0
266.89886	0.3
287.05502	100.0
288.05807	2.3
303.04996	32.5
358.92450	0.4
449.10785	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	611.1606
Annotation	Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
Peak:m/z	Relative Intensity
52.63121	0.4
53.03922	0.6
55.01850	0.7
55.05460	0.4
56.73061	0.3
57.01216	0.3
57.03414	0.7
61.02923	2.4
63.12048	0.4
64.28593	0.3
68.99772	0.6
69.03434	2.3
70.06571	0.9
70.15466	1.5
71.04993	4.3
73.02879	0.7
81.03417	2.1
84.04459	1.2
84.08027	0.3
85.02907	12.5
87.04437	0.4
91.03924	1.3
97.02904	3.2
98.21082	0.7
99.04436	0.7
101.77828	0.4
107.04867	0.3
109.02851	0.8
110.07147	0.4
111.00764	1.1
121.02873	2.9
127.03958	1.9
129.05423	1.1
130.04951	1.0
137.02364	3.2
145.04913	1.2
147.04333	1.3
147.07596	1.1
149.02312	0.6
153.01825	6.0
157.06511	0.4
163.03920	0.5
165.01816	3.0
173.06010	0.4
183.02841	1.4
185.06015	0.3
201.05467	0.9
213.05420	1.2
214.31549	0.3
229.04953	3.0
231.06624	0.7
241.04939	0.6
247.06198	0.8
257.04413	1.8
258.05258	0.7
259.05997	0.4
269.04547	0.4
274.04663	0.4
285.03821	0.7
287.05499	100.0
288.06079	1.1
303.04996	78.5
304.05356	1.4
304.98489	0.3
323.56009	0.3
449.10794	8.1
465.10339	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	611.1602
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03938	0.5
55.01860	0.3
57.03418	0.7
57.90039	0.2
61.02925	1.1
68.99795	0.2
69.03431	2.1
70.18085	0.3
70.18507	0.6
71.04993	0.9
71.06020	0.2
72.56818	0.2
72.65135	0.2
73.02905	0.4
81.03413	1.0
85.02908	6.2
87.04452	0.3
91.03918	0.3
91.88583	0.2
97.02889	2.1
99.04447	0.3
105.02466	0.1
109.02865	0.6
111.00795	0.6
121.02879	0.9
123.04408	0.2
127.03949	1.2
135.04427	0.2
137.02327	2.3
137.03284	0.2
145.04993	0.6
149.02342	0.2
153.01825	3.2
153.39040	0.2
155.04770	0.2
163.03909	0.4
165.01822	1.9
173.05882	0.2
183.02991	0.9
187.03877	0.3
188.73065	0.2
191.03278	0.2
201.05490	1.1
219.06470	0.2
229.04964	3.9
247.06013	0.7
257.04437	2.4
274.04877	0.4
285.03894	1.1
303.04980	100.0
304.05328	1.2
329.00473	0.2
432.44528	0.2
449.10727	3.6
526.84778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
61.02644	0.3
61.02930	4.6
68.99775	0.4
69.03407	0.7
69.74535	1.3
71.04987	0.6
73.02915	1.0
81.03391	0.3
85.02416	0.4
85.02904	4.7
91.03951	2.2
97.02898	2.2
109.02857	0.6
111.00800	0.8
121.02874	1.2
127.03911	0.6
129.05476	0.5
137.02327	2.6
145.04967	0.6
149.02382	0.3
153.01831	2.5
163.03851	0.5
165.01782	1.9
166.02643	0.3
169.23349	0.2
171.24461	0.2
173.06042	0.2
183.02829	0.6
195.02933	0.2
201.05473	1.3
210.71945	0.3
219.06538	0.4
229.04962	3.6
247.05974	0.6
257.04416	2.3
274.04694	0.8
274.08356	0.2
285.04086	1.4
303.04987	100.0
304.05344	1.5
365.36777	0.2
437.73676	0.3
449.10803	5.7
465.10312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03942	0.2
55.05508	0.2
56.04997	0.2
58.99585	0.7
61.02909	0.3
65.03924	0.2
68.44698	0.2
68.99782	0.5
69.03417	0.7
70.06601	1.0
70.32111	0.3
70.32460	0.4
71.01344	0.2
71.04983	0.6
72.08150	0.3
73.02915	10.9
76.02231	3.9
76.04013	0.3
77.02558	0.3
79.05518	0.2
81.03419	2.9
81.07036	0.3
82.03755	0.4
83.08608	0.7
84.04496	1.3
85.02906	3.6
86.09694	0.2
87.04457	0.8
91.03932	0.3
91.05465	0.4
95.04967	0.7
97.02889	0.7
97.36765	0.2
99.04451	0.6
107.05007	0.3
109.02882	0.4
110.07127	0.2
111.00801	0.5
116.01674	1.0
119.08574	0.4
121.02839	1.0
123.04474	0.3
127.03913	0.5
130.05014	0.7
137.02321	2.6
141.10062	0.2
142.03238	0.4
144.01128	0.7
145.04956	0.3
149.02365	0.4
153.01820	2.4
162.02180	1.6
163.02588	0.4
163.03917	0.6
165.01820	1.7
166.02635	0.3
170.02646	0.2
173.06000	0.4
175.11198	0.2
176.11633	0.2
177.03317	0.3
179.04860	3.2
180.05154	0.6
183.02892	0.5
183.04376	0.3
187.03877	0.2
193.12300	1.2
194.12560	0.8
201.05515	1.0
214.39885	0.2
219.06410	0.2
229.04985	3.2
233.05893	0.8
234.06224	0.3
239.03259	0.2
247.05995	0.8
257.04440	2.1
267.15887	0.5
268.16293	0.6
269.12878	0.2
274.04709	0.7
285.03967	1.3
286.17432	0.2
287.05493	2.1
303.04980	100.0
304.05347	1.8
308.09070	2.6
309.09396	2.0
329.06522	0.3
416.19711	0.2
449.10782	8.2
480.82669	0.2
550.32355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51591	1.0
53.03935	2.0
55.01884	1.5
55.05504	2.6
55.41322	1.0
56.05024	1.1
58.57148	1.0
58.99584	16.5
61.02952	1.1
64.64779	0.9
66.87559	1.2
67.05496	4.8
68.99819	1.0
69.03430	2.7
69.07062	2.4
70.06595	5.7
70.69945	0.9
71.04982	1.3
71.23231	2.0
72.08157	2.9
73.02895	4.6
75.04511	1.1
76.02230	84.2
76.04003	2.7
77.66207	1.1
79.05489	6.1
81.03420	45.1
81.07062	5.1
83.04971	1.6
83.08624	12.4
84.04500	22.9
84.08143	2.8
84.75549	0.9
85.02905	3.8
85.04018	1.1
86.09705	3.4
86.99045	2.6
88.02225	2.3
89.34360	0.9
91.05420	6.9
93.07040	3.0
95.04419	1.6
95.04976	13.1
95.08601	1.3
97.02906	1.0
103.05491	1.6
105.07027	5.5
107.04951	4.1
107.08610	1.7
109.06499	2.2
110.07175	2.4
111.08083	2.4
116.01681	20.5
119.04952	1.7
119.08588	4.0
120.08106	1.1
121.10147	2.7
129.07004	3.6
129.10257	2.9
130.05008	13.2
131.08554	3.7
132.84024	1.0
133.06522	2.4
133.10089	2.0
136.06096	1.1
137.09688	1.5
142.03229	7.1
144.01138	12.8
145.02890	1.5
147.04362	2.0
147.08064	1.6
147.11710	3.4
149.09648	1.9
153.01840	3.7
157.10135	4.7
162.02209	39.8
163.03932	1.0
168.90112	1.0
170.02705	2.8
175.11197	6.8
177.03316	3.2
177.05428	1.2
178.86491	0.9
179.04861	71.2
187.05391	2.6
188.03757	1.1
193.12233	29.0
211.13329	2.3
215.04907	2.4
229.05032	1.2
232.90909	1.0
233.05899	21.2
245.05948	3.6
267.15918	12.5
271.06055	27.0
272.06345	33.4
273.06589	1.2
278.32028	1.0
285.16953	6.1
287.05530	3.5
290.07999	2.5
291.06378	2.8
303.05002	41.7
308.09097	100.0
332.26056	1.1
355.06900	1.9
369.79257	1.0
449.10654	3.2
610.22302	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
54.72174	0.6
55.05495	0.7
57.23407	0.5
65.03940	1.6
66.03471	0.7
67.05486	0.9
68.32475	0.5
69.07079	0.7
70.06578	1.2
79.05495	4.2
80.05023	0.9
81.07051	1.3
82.06581	1.0
84.08159	0.9
85.02889	0.7
86.09705	0.9
91.05454	3.9
92.05006	0.8
93.03358	1.2
93.07040	6.1
94.06574	7.5
95.04944	0.9
95.08598	1.3
96.08121	1.7
97.02910	0.7
98.20748	2.0
103.05458	4.9
105.05764	1.0
106.06555	1.6
107.08601	0.7
108.04469	2.7
108.08108	9.0
110.06052	1.4
110.09695	1.6
116.04970	1.9
117.05762	1.0
118.06535	4.6
119.07318	1.8
119.08600	0.6
120.04461	10.4
120.08102	34.0
122.06023	6.0
122.09677	2.0
124.07575	2.4
132.08020	1.4
134.06015	7.0
136.07571	14.4
138.05495	5.9
138.09138	2.5
138.36191	0.6
144.04463	3.0
144.08061	0.7
146.06003	46.8
148.07570	100.0
149.07883	1.0
150.05577	1.5
150.09200	1.0
152.07048	2.4
160.07518	2.9
162.05501	2.3
162.09192	1.0
164.07091	5.0
166.05019	2.5
166.08652	8.9
167.07195	0.6
170.08403	0.8
172.03946	10.6
172.07631	0.6
174.05540	0.9
182.08250	0.7
183.09198	1.3
184.09935	1.0
185.08414	0.6
185.10699	1.2
188.07106	2.2
190.04984	11.7
192.06563	2.0
194.08124	0.7
194.09691	2.3
196.09895	1.5
197.10713	4.6
198.11493	2.2
199.12317	1.6
206.08183	1.9
208.09741	1.8
208.11372	1.3
209.10672	3.0
210.11484	2.4
211.08618	1.4
211.12294	6.4
212.09421	2.6
212.13219	0.6
213.10365	1.2
213.13928	1.1
216.06610	1.1
220.09856	0.7
221.10735	1.2
222.09164	2.6
222.11478	1.4
223.08658	1.1
223.12311	1.5
224.09279	4.0
225.10249	8.0
225.13873	2.3
226.10960	5.0
227.11748	6.4
229.13208	1.0
234.07599	6.2
235.08615	1.4
235.12387	0.9
236.09109	1.1
236.10962	1.3
237.10245	7.6
237.13913	0.8
238.10889	4.3
239.08112	1.3
239.11777	17.1
240.12563	2.1
241.09726	2.2
241.13359	2.3
245.12840	0.8
248.09492	0.9
249.10193	1.5
250.07317	0.6
251.08185	1.7
251.11728	3.6
252.08667	42.2
253.09583	4.2
253.13370	9.7
254.10384	0.6
255.11284	7.5
255.14160	1.1
255.14597	1.0
257.12854	1.9
263.11838	1.4
264.10022	0.6
265.09702	9.1
266.10565	2.3
267.11301	9.4
269.12619	0.9
270.11395	1.6
271.10864	1.2
271.14462	1.7
273.12357	2.2
278.06592	3.4
279.11255	7.6
280.12067	0.7
281.09650	1.3
281.12860	14.6
282.10910	0.8
283.10803	1.9
285.07556	5.4
285.12247	2.8
286.07898	6.7
287.13919	1.5
291.11356	1.1
293.09213	7.5
294.10022	1.6
295.10883	1.0
296.11707	1.1
297.12241	5.3
298.13196	0.8
299.10614	0.8
299.13861	9.3
300.10959	0.6
307.10678	4.4
309.12366	4.4
311.10196	1.8
312.11078	1.3
313.11768	1.8
315.13379	9.3
316.14105	0.9
325.11945	4.8
327.13382	30.6
330.15918	0.7
333.14420	2.8
335.10266	4.6
340.10727	1.3
341.11340	6.1
341.15030	2.4
345.58667	0.6
353.11298	5.5
353.15305	1.0
359.12405	8.0
367.12936	1.4
373.15967	0.6
385.13916	35.1
411.11746	3.4
416.19431	3.0
418.17554	1.1
429.12671	1.0
432.19119	1.2
434.20712	5.1
442.17401	0.6
444.19208	2.9
460.18628	6.1
462.20187	8.9
470.16901	0.8
480.21249	2.4
488.18146	18.2
494.23489	0.8
506.19202	4.8
520.20752	1.2
522.22308	0.6
524.20221	2.2
530.19275	1.1
538.21875	2.6
548.20294	5.1
551.18842	2.1
564.19489	1.1
566.21301	6.4
574.18146	2.2
587.99365	0.7
592.19244	13.7
593.19897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03940	3.4
55.01881	2.2
55.05515	24.0
57.03430	6.8
57.07056	3.8
65.03949	3.3
67.05508	54.1
67.42280	1.4
69.03453	2.4
69.07076	16.4
70.11850	1.5
71.04997	2.3
79.05500	45.8
81.03420	3.0
81.07059	51.2
83.04974	3.1
83.08626	9.2
85.06540	2.1
91.05481	46.2
93.07047	48.5
95.04970	6.9
95.08607	39.5
97.06529	4.4
97.10195	4.4
98.20698	3.1
98.21411	5.8
99.08089	2.1
105.04518	2.1
105.07032	35.7
107.04961	3.9
107.08593	25.8
109.06504	3.0
109.10169	13.4
111.08086	4.3
115.05477	2.3
117.07017	23.8
119.08579	29.5
121.10155	17.0
123.08037	2.5
123.11708	2.9
128.06259	4.8
129.07001	15.0
130.07776	1.9
131.08571	27.0
133.10138	20.8
135.11700	10.7
139.11162	1.6
141.06985	4.1
142.07794	5.2
143.08562	11.6
144.09381	1.7
145.10139	37.5
147.11690	13.4
147.14481	1.6
149.09633	4.0
149.13281	6.2
155.08528	9.4
156.09381	2.8
157.10129	14.5
159.11708	24.8
161.09660	2.0
161.13324	8.4
163.11278	3.6
163.14949	2.5
167.08604	4.4
168.09331	2.8
169.10184	11.9
171.11708	11.4
173.11868	2.6
173.13220	12.5
175.14938	3.5
179.08507	2.0
181.10190	4.3
183.11696	10.5
185.13283	9.5
187.14838	4.3
189.12798	1.9
193.10201	2.5
195.11707	5.6
197.13280	7.2
199.14847	4.5
201.16429	3.1
203.14363	2.5
207.11824	1.5
209.13310	3.4
211.14838	4.1
213.16422	4.1
219.17555	4.5
223.14914	3.0
225.16280	3.7
229.19592	5.0
237.16515	2.6
239.17982	10.2
241.19725	2.0
255.17610	2.4
257.18988	23.3
259.20856	1.9
261.22202	5.7
275.20102	22.7
331.22781	6.2
333.24448	2.4
335.25922	14.7
339.92450	1.5
351.27017	2.0
355.07095	2.0
517.40265	5.1
533.31915	1.6
535.41504	5.2
543.86597	1.7
550.86243	1.6
591.44318	6.6
609.28021	7.1
609.45178	100.0
610.45551	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.451
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03933	2.7
55.05510	14.2
56.36062	1.6
57.03425	3.1
57.07059	2.4
65.03915	1.8
67.05509	27.7
69.07066	13.1
71.60326	1.4
79.05496	23.0
81.06629	2.8
81.07063	26.8
83.08628	7.1
91.05463	17.9
93.07045	24.0
95.04935	2.2
95.08611	25.0
97.06561	3.8
97.10182	3.9
98.20715	3.8
104.87579	1.5
105.07028	18.9
107.08588	12.4
109.06506	1.5
109.10168	11.0
109.49550	1.6
115.05463	1.6
117.07001	9.7
119.08583	14.3
121.10146	9.3
123.08092	1.9
123.11674	1.9
125.09615	1.9
128.06265	2.6
129.07025	7.4
131.08563	16.8
133.10147	14.6
135.11708	7.1
141.07021	5.6
142.07774	2.6
143.08549	13.6
145.10136	17.3
147.11699	5.5
149.13225	2.2
154.07771	2.1
155.08543	10.9
157.10133	11.9
159.11710	12.7
161.13300	4.3
167.08595	6.7
169.10181	14.5
171.11679	10.5
173.13272	6.2
175.14816	2.3
179.08641	2.9
181.10095	5.1
183.11714	11.2
185.13269	8.8
187.14767	3.7
189.16449	2.1
195.11720	8.8
197.13245	10.0
199.14926	4.5
201.16385	2.3
207.11656	4.0
209.13246	7.5
211.14871	7.8
213.16496	3.7
215.18109	1.7
223.14803	4.2
225.16444	4.2
237.16391	2.8
239.18095	2.2
249.16492	1.8
251.18181	1.9
252.58115	2.0
253.19629	1.8
257.19153	2.0
275.20306	3.2
293.21530	1.8
323.23425	2.3
325.25677	1.6
351.27008	2.2
355.07040	2.1
363.26788	2.0
517.40680	9.0
535.41351	5.0
591.43787	9.2
597.48602	2.3
609.27582	5.4
609.45172	100.0
610.27509	2.2
610.45361	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	609.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.01862	6.3
55.05516	17.6
57.03430	6.5
57.07069	9.1
61.02916	3.0
67.02509	1.9
67.05169	2.9
67.05508	41.0
68.99789	2.7
69.03429	23.3
69.07070	33.0
70.06590	8.5
70.24770	4.3
70.25160	6.5
71.05003	11.5
71.08618	3.0
72.08148	3.7
73.02931	2.7
75.35768	2.0
79.05493	20.8
81.03421	15.6
81.07057	100.0
83.04979	39.7
83.08619	16.2
84.04473	3.0
84.08135	5.0
85.02913	34.3
85.06551	22.3
86.09689	7.2
87.00829	15.2
91.05462	16.3
93.07050	41.9
93.70884	1.7
95.04970	25.4
95.08607	62.5
97.02892	14.3
97.06528	12.5
97.10151	10.2
99.04434	4.2
99.08099	26.6
100.11326	2.0
105.01856	14.1
105.07030	31.0
107.08602	35.9
109.02869	10.9
109.06514	10.7
109.10161	47.5
111.04464	1.9
111.08086	3.0
111.11719	5.4
111.95979	2.0
113.06013	27.7
113.09674	2.1
117.01817	3.3
117.07040	1.9
119.08575	25.0
120.08128	2.6
121.06467	2.3
121.10139	30.7
123.04446	3.0
123.08043	4.0
123.11721	27.8
125.09633	4.6
127.03918	17.5
127.11185	9.9
129.10194	2.1
130.06540	4.5
131.08565	8.1
133.10114	16.5
135.11725	19.0
137.09586	3.9
137.13216	5.9
138.75359	2.5
139.11188	4.2
145.04939	5.7
145.10153	13.2
146.06068	2.9
147.07974	2.2
147.11688	17.2
148.07535	4.3
149.09604	3.1
149.13245	21.1
151.07550	2.9
151.11182	2.9
153.12717	1.9
154.95424	1.8
155.10660	1.9
157.10121	2.9
159.02859	5.3
159.11717	13.2
161.13245	12.3
163.03850	2.8
163.11223	4.6
163.14824	9.3
165.12738	5.7
165.16452	2.2
173.13271	7.6
175.07561	3.3
175.14803	5.6
177.16350	6.0
179.14310	3.0
179.18044	3.2
185.09673	1.9
187.14845	3.9
189.16365	2.7
191.18018	3.3
201.16501	2.3
205.19557	7.1
211.09618	2.6
215.17935	3.7
223.20584	8.1
231.05063	3.3
239.19995	2.5
241.21698	2.1
261.83014	2.2
271.24194	7.9
277.25363	6.1
289.25208	23.7
295.26367	7.5
297.09610	3.3
307.26294	39.0
315.10773	2.2
325.27313	10.1
343.28394	7.1
355.15213	3.1
536.27063	2.4
609.28833	7.7
610.65503	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	609.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71232	0.8
55.05501	1.4
56.81593	0.6
66.70204	0.6
67.05498	3.4
67.34991	0.7
69.07069	1.5
69.30490	7.3
74.61559	0.7
79.02839	0.7
79.05477	1.7
81.07040	2.7
91.05473	1.8
93.07016	2.1
95.08617	2.3
98.20662	1.0
105.07017	2.1
107.08578	1.0
117.07053	0.8
119.08566	1.2
121.10149	0.9
129.07053	0.9
131.08617	1.0
133.10077	1.0
135.11711	0.9
145.10092	1.9
169.10027	1.3
186.06506	0.8
275.20166	1.7
288.81378	0.8
378.18353	0.9
391.19321	1.9
392.20288	1.0
393.20709	1.0
404.20685	0.9
405.16708	4.5
406.17508	1.3
407.22476	4.2
418.17523	1.1
419.18320	5.0
420.19443	1.6
421.19937	1.9
433.15521	1.2
433.20148	3.2
434.21542	3.5
435.21747	6.8
436.21976	1.0
447.17917	2.8
448.18518	1.2
449.19641	2.7
461.19360	1.4
462.20584	4.6
463.21326	4.8
475.21097	2.6
483.17831	0.8
489.22922	1.9
507.20587	1.2
521.25964	5.9
549.24908	20.5
550.25183	1.5
581.27661	1.2
609.26379	50.5
609.33923	100.0
609.45099	4.7
610.26721	2.8
610.35425	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05513	0.5
55.98371	0.2
67.05508	1.4
69.07062	0.5
69.54893	1.3
79.05489	1.0
81.07049	1.0
83.08640	0.3
91.05489	0.9
93.07040	0.9
95.08608	0.7
96.13525	0.2
98.21498	0.2
98.61903	0.2
105.07060	0.5
107.08598	0.5
109.10132	0.3
109.91061	0.2
119.08584	0.4
121.10182	0.4
131.08589	0.3
133.10147	0.4
141.89993	0.2
143.08620	0.3
145.10126	0.5
149.87912	0.3
159.11699	0.3
197.10832	0.3
209.10857	0.3
223.12326	0.4
238.14813	0.3
241.76651	0.2
243.97537	0.3
257.19061	0.4
273.12460	0.3
275.20065	0.6
389.17932	0.5
390.18784	0.3
391.19226	0.7
401.17706	0.4
402.19199	0.3
403.19318	0.5
404.20804	0.6
405.20865	1.2
413.17902	0.3
414.18860	0.5
415.19165	1.7
416.20129	0.8
417.21326	0.4
418.17426	0.6
418.22369	0.4
419.18506	0.9
419.22629	0.9
420.18982	0.4
427.19901	0.3
428.20041	0.6
429.21048	3.5
430.21527	0.9
431.18634	1.1
431.23465	0.4
432.19498	0.4
433.15179	0.3
433.24918	2.4
434.21039	1.0
435.21777	0.6
443.22684	1.5
444.23730	1.5
445.19150	0.4
445.24161	1.1
446.16653	0.3
447.22781	2.2
448.23065	0.4
449.23654	1.2
457.19885	0.5
458.24719	0.7
459.21378	4.6
460.22842	2.3
461.19159	1.7
461.23657	2.9
462.19904	2.3
463.21198	0.8
470.20984	0.4
472.22641	2.7
473.23291	1.0
474.24472	0.5
475.21063	1.0
475.26312	0.4
476.22147	2.5
477.22876	2.3
485.23215	1.3
486.23541	0.3
487.25024	4.7
489.22958	1.7
490.23544	0.6
493.21625	0.3
493.26993	0.3
502.23834	0.3
503.25327	1.8
504.23279	0.2
505.18723	0.5
507.23972	0.3
511.34259	0.9
517.22125	0.5
518.22980	0.5
519.23950	2.3
521.21484	3.2
524.24078	0.4
531.23926	21.7
532.24884	1.5
534.22498	0.8
535.22571	0.3
549.24982	12.3
550.25281	0.5
563.26715	1.3
581.27545	0.3
591.25879	2.9
608.44177	0.5
609.27026	100.0
610.27332	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2708
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
51.35709	0.4
55.05496	0.6
62.63286	0.4
67.05506	1.6
69.07076	0.6
69.94030	1.2
69.94445	1.3
79.05498	1.4
81.07053	2.5
91.05487	1.3
93.07040	1.3
95.08607	1.2
95.59486	0.4
98.21252	0.9
105.07027	1.6
107.08593	1.0
109.10154	0.9
110.13595	0.4
119.08597	0.8
121.10158	0.7
129.06999	0.4
131.08606	0.7
133.10124	0.8
142.03148	0.4
143.08598	0.4
145.10225	1.0
159.11610	0.6
162.22064	0.4
171.11772	0.5
209.10786	0.5
225.86322	0.4
235.12172	0.4
249.40407	0.4
251.36398	0.4
275.20132	1.0
363.16412	0.5
388.16910	1.0
389.17694	0.7
391.19260	1.6
401.18005	0.5
403.19278	1.5
404.20065	1.2
405.20807	1.6
407.22073	0.5
415.19516	0.5
417.16916	1.5
417.21246	1.1
419.17920	1.1
419.23163	2.3
420.22995	1.1
430.17651	1.1
431.17880	2.9
432.18997	1.1
433.20239	6.2
434.20670	1.0
435.21744	0.7
443.18701	1.6
444.19543	0.9
445.20090	3.5
446.21255	2.1
447.21918	5.0
448.22626	1.0
458.20969	5.4
459.21814	4.1
460.22903	2.8
461.19693	0.8
463.20761	2.1
473.23483	1.0
475.20999	0.9
476.22119	1.1
477.22931	1.5
489.19156	0.7
490.23776	0.9
491.19919	0.5
502.24411	0.5
505.22098	0.5
517.22412	1.2
518.23132	2.8
519.23907	7.8
521.22260	1.7
531.23944	1.3
532.24805	1.2
549.24835	3.7
591.26038	11.3
603.46240	0.5
609.27045	100.0
609.44672	3.5
610.27124	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	609.1817
Annotation	Rhamnetin 3-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03939	0.8
55.01875	0.6
56.02619	0.3
57.03426	0.7
59.04978	0.4
61.02917	0.3
69.03432	1.4
69.07044	0.4
70.06586	1.8
71.01345	0.5
71.04645	0.3
71.04999	4.9
71.58214	0.4
72.08126	0.3
73.02922	8.7
73.06551	0.5
79.05511	0.3
81.03400	1.1
81.07034	0.7
84.04455	0.4
84.08147	0.6
85.02908	29.5
85.06507	0.4
86.09694	0.9
87.00853	0.3
87.04469	1.3
89.06014	1.0
91.05488	0.6
93.07050	0.7
95.04957	0.3
95.08617	0.6
97.02866	0.8
99.04465	3.5
101.02364	0.4
105.01884	0.4
105.07036	2.8
106.07365	1.2
107.04962	0.3
107.08594	0.7
109.02856	1.0
111.00808	0.3
112.07602	0.3
113.05984	0.4
115.03922	0.3
117.05476	0.6
119.08648	0.3
120.08115	0.4
121.02148	0.3
121.02883	2.4
121.06491	0.4
127.03908	1.3
129.05524	0.3
129.06978	0.9
130.05026	0.4
130.06454	0.4
131.08545	1.2
131.09406	0.2
133.02979	0.4
133.06497	0.6
133.10143	2.7
134.10446	1.1
136.07573	0.8
137.02333	0.3
137.05989	0.7
141.05461	0.5
141.06976	0.7
143.07076	0.5
143.08542	0.6
145.04967	2.4
145.06088	0.3
145.06454	0.2
147.04443	0.3
151.03917	0.3
151.07553	0.3
153.01816	1.8
154.30806	0.3
157.06477	0.7
158.07257	0.5
159.06593	0.6
159.08073	0.9
161.04478	0.3
161.05991	0.4
161.09602	2.2
162.08664	0.4
162.09949	2.1
163.07515	0.3
163.11279	0.5
164.07068	0.7
165.01793	1.5
169.06422	0.7
171.08102	0.4
173.08139	0.9
174.06808	2.1
174.08237	0.4
175.07553	0.7
182.19641	0.3
183.02895	0.6
185.06084	0.3
186.06815	0.6
189.07513	0.2
189.09129	4.6
190.09470	0.9
201.09132	1.6
203.10654	1.2
208.10468	0.4
213.05487	1.0
219.10168	15.3
231.06522	0.5
241.04921	0.5
254.14613	0.4
257.04333	0.5
258.05145	0.6
259.06125	0.5
263.12781	0.5
264.13141	0.7
281.13837	2.1
282.14175	2.4
286.04794	0.5
287.05502	100.0
288.05905	1.2
315.04932	0.7
403.06647	0.5
413.08594	0.3
419.07959	0.3
427.10269	0.7
431.09470	0.4
433.11319	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	609.1811
Annotation	Rhamnetin 3-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.02117	0.4
54.47192	0.5
55.15688	0.4
57.03444	2.8
58.42440	0.4
60.17376	0.5
61.09500	0.4
68.99800	0.4
69.95387	2.3
70.06573	0.9
71.04991	17.2
77.02875	0.4
83.04971	0.6
85.02905	17.7
86.09711	0.7
93.03410	0.8
98.20976	1.1
104.46156	0.4
116.78128	0.5
121.02891	2.4
129.05478	4.5
129.10260	0.5
139.03946	0.7
147.06516	0.8
151.03903	0.5
153.01837	3.6
165.01866	0.7
174.44844	0.4
201.05475	0.6
218.60768	0.5
228.04176	0.8
229.05072	1.7
246.05188	0.8
257.04446	1.9
273.03995	1.0
274.04706	3.8
284.03171	0.5
285.03876	4.5
299.75861	0.5
302.04230	11.3
317.06558	100.0
318.06888	1.5
391.08099	2.1
409.91318	0.5
419.02457	0.8
419.07480	4.0
425.56927	0.5
429.02686	0.6
447.07062	1.4
463.12396	8.7
494.02747	0.5
562.47894	0.5
609.12054	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	608.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99921	0.4
65.77688	0.5
66.60279	0.5
69.15810	0.5
70.06580	1.1
70.76788	0.8
71.01365	0.7
72.08127	0.6
84.08147	1.2
111.04461	0.5
117.03444	0.5
123.04427	1.5
129.10248	0.5
133.02835	1.9
135.04405	1.2
137.02347	1.8
145.02802	1.3
147.04419	2.4
161.02405	0.8
162.03146	0.8
163.03897	8.8
165.07025	2.3
173.02354	2.1
175.03932	0.6
177.05547	0.6
187.03868	1.2
193.06512	3.0
197.05998	1.5
203.03418	1.1
205.06464	0.8
211.07500	2.1
221.05983	23.7
225.05501	1.5
231.02867	5.1
239.07043	5.2
249.05463	29.0
250.06111	1.2
251.06989	0.6
253.04970	0.7
255.11256	0.5
267.06522	6.2
271.06006	0.7
277.04947	15.3
277.11734	0.5
278.05496	0.9
279.06543	1.6
281.04504	1.4
285.07571	1.5
295.06018	100.0
296.06384	1.6
305.04398	2.0
323.05508	49.5
324.05896	1.0
341.06573	1.8
347.03967	2.2
405.54990	0.6
429.08484	0.8
439.06528	1.9
457.07712	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.4
55.05505	21.2
57.03439	6.9
57.07076	10.5
63.78571	5.3
67.05511	30.4
68.51048	4.5
69.03432	21.1
69.07072	87.5
70.06580	9.5
71.04984	17.7
72.08128	5.7
79.05503	21.8
81.03423	19.3
81.07062	100.0
83.04997	8.7
83.08614	17.3
84.04504	8.9
85.02902	31.9
85.06528	11.1
86.09719	8.6
87.00835	9.3
91.05486	18.1
91.76453	5.7
93.07056	60.0
95.04968	11.2
95.08611	64.1
97.02899	7.6
97.06551	14.4
99.04419	6.5
99.08089	14.2
104.44621	5.3
105.07060	32.3
107.08594	53.9
109.02900	10.8
109.06569	7.4
109.10155	56.6
111.11718	20.4
119.08575	29.0
120.08138	8.1
121.10148	59.2
123.08048	5.3
123.11729	47.8
127.03884	12.0
127.11177	7.6
130.06555	13.0
130.53755	4.4
131.08575	8.3
133.10143	14.9
135.11690	37.1
137.09619	6.0
137.13278	10.7
139.11197	19.2
145.10159	9.9
147.06812	5.6
147.11668	14.9
149.13216	22.7
151.11208	8.4
153.12776	6.5
159.11673	6.3
160.07745	4.6
161.13092	6.1
163.11160	7.1
166.68246	4.6
169.65068	6.0
173.13351	7.4
177.12758	7.0
181.12238	14.8
195.13673	7.5
255.11386	6.9
275.23795	6.5
279.23184	10.5
287.23715	15.8
293.24762	23.0
305.24750	39.7
311.25720	11.4
323.25851	52.3
356.20532	5.0
372.14749	10.9
446.17062	6.0
595.39728	5.9
607.28253	16.8
633.95532	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	607.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98712	2.3
53.03955	3.6
55.01869	4.0
55.05510	25.2
57.03426	4.0
57.07071	6.6
58.63230	2.6
59.04996	5.8
61.11863	2.1
67.05502	36.4
69.03435	16.7
69.07067	100.0
69.95723	4.7
69.96120	4.8
70.06588	10.0
71.01359	5.8
71.04990	28.7
72.08139	2.5
73.02934	2.5
79.05501	20.8
80.70597	2.3
81.03410	10.8
81.06572	4.5
81.07056	91.3
83.04972	4.9
83.08614	16.7
84.04497	5.2
84.08141	5.5
85.02901	21.1
85.06512	5.3
86.09711	5.8
87.00819	12.4
91.05502	16.3
93.07046	53.5
95.04981	13.4
95.08603	61.4
96.75754	2.3
97.02876	12.3
97.06528	8.3
97.10181	5.8
98.21122	6.5
99.04461	7.1
99.08096	10.6
105.01850	6.2
105.07018	26.6
107.04965	2.5
107.07957	3.8
107.08602	43.9
107.89543	2.6
109.02914	11.2
109.06519	8.8
109.10152	59.7
111.08075	6.8
111.11707	19.9
117.06981	6.3
119.08582	19.9
120.08086	4.4
121.06537	2.5
121.10143	50.2
123.08076	3.7
123.11716	39.3
125.05988	2.5
125.09669	3.8
125.13230	4.8
127.03909	13.8
127.11221	7.0
130.05009	4.0
131.08578	9.5
133.10124	13.9
135.11694	33.6
136.06131	2.7
137.09650	4.5
137.13275	6.9
139.11238	11.8
143.08603	4.5
145.04955	3.7
145.10121	13.2
147.11656	14.2
148.07588	2.4
149.13257	21.6
151.11217	9.1
153.12729	10.6
157.10153	4.7
157.12222	3.1
159.11685	9.7
159.99104	2.3
161.09711	3.5
161.13232	5.8
163.11211	14.2
163.14819	3.7
164.07040	2.6
165.12788	7.0
167.14314	3.8
169.12224	3.1
173.13257	4.0
175.11273	4.3
175.14857	4.3
177.12776	5.8
177.16382	3.3
181.12242	16.1
187.13297	8.5
187.14792	4.5
189.16356	3.1
193.15793	3.1
195.13834	6.2
197.10034	2.2
199.13293	2.8
213.03912	5.7
217.19583	3.2
225.18434	3.3
269.22653	4.7
275.23792	3.8
279.23102	16.8
287.23666	10.0
293.24792	20.4
305.24756	37.5
311.25729	16.4
323.25766	42.2
341.27103	3.1
371.85114	2.7
372.15030	3.2
407.86737	2.9
497.21262	2.4
538.39703	2.8
607.27094	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35130	0.4
61.57720	0.4
70.27074	0.4
70.71850	1.0
70.72239	0.5
71.41843	0.4
79.60395	0.4
83.53033	0.4
98.21183	0.6
122.70222	0.4
127.21957	0.4
127.72993	0.4
133.23065	0.4
204.82787	0.4
237.49205	0.4
240.64273	0.4
387.16299	0.4
388.16977	0.5
389.17603	1.3
390.18735	0.7
401.17694	0.8
402.18423	0.9
403.19189	3.6
404.19968	1.1
405.20642	1.3
415.19562	0.8
416.20383	0.8
417.15994	0.7
417.21252	3.8
418.21735	2.4
419.22104	2.9
430.17822	1.3
431.18121	8.6
431.23471	0.6
432.19290	1.8
432.24231	0.6
433.24072	8.7
434.24588	0.6
443.18216	0.5
445.19833	9.9
446.20383	4.1
447.21548	3.6
459.21350	4.7
460.22485	11.2
461.23291	13.3
473.23532	3.5
474.24066	1.1
477.23361	0.7
487.24969	1.2
488.25702	0.6
491.24075	0.5
505.21371	2.2
515.24097	0.7
519.27417	1.8
532.24854	1.1
547.27032	44.3
548.27496	1.3
575.26434	1.3
579.29297	1.0
607.29114	100.0
608.29803	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
59.21554	0.5
63.25275	0.5
67.05489	0.9
71.57833	0.8
73.53812	0.5
79.05485	1.1
81.03455	0.9
81.07030	0.6
91.05508	0.7
93.07034	0.6
97.10235	0.5
107.08603	0.8
109.66825	0.5
121.10142	0.6
125.19113	0.6
129.50073	0.5
343.94223	0.5
375.16190	1.1
388.16846	1.2
389.17734	2.5
390.18542	1.3
391.19315	0.8
402.14273	0.7
403.19495	3.3
404.20071	1.9
405.20810	2.3
416.16110	1.1
417.16223	4.1
417.21396	1.7
418.21872	1.1
419.22479	5.5
420.23264	0.7
431.18353	7.4
432.19363	3.1
433.20139	3.7
445.20172	5.5
446.21024	6.6
447.21780	6.8
459.22107	1.7
461.19812	1.9
462.25269	0.7
463.25671	0.8
473.23999	1.0
474.20493	5.2
475.21289	4.3
477.23245	0.7
478.23563	0.9
487.21313	1.4
491.21021	2.4
506.23935	0.6
519.12213	0.8
519.24133	15.3
520.24432	0.8
547.23346	11.2
579.26044	5.8
607.25519	100.0
608.26062	3.2
634.51367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.291
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
58.13221	0.5
61.28941	0.5
68.68872	0.5
69.69728	0.4
71.50222	0.9
74.82309	0.4
82.92262	0.5
116.74174	0.4
175.29266	0.4
207.09094	0.6
322.22952	0.5
366.54776	0.6
389.17542	0.8
403.19226	2.5
405.20712	1.5
417.16153	0.7
417.21375	2.3
418.21393	1.3
419.22098	2.6
431.18268	6.1
432.19528	1.5
433.24115	8.7
434.24622	1.2
445.19791	8.2
446.20703	4.8
447.21756	5.2
459.21512	5.5
460.22568	15.5
461.23389	15.9
473.23727	4.3
474.24051	1.8
477.22495	0.8
487.24872	1.9
488.25977	0.7
491.20871	0.8
492.25272	0.7
504.25037	0.8
505.21954	4.5
506.27048	1.1
512.39636	0.5
515.24384	0.7
518.23413	1.0
519.24329	1.9
519.27075	1.9
532.24615	1.3
533.25452	0.8
547.27051	40.9
548.27533	1.3
575.26544	0.8
578.25439	0.6
579.29614	0.8
607.29138	100.0
608.29407	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	607.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27914	0.6
67.05503	1.3
69.07061	0.9
69.20103	0.7
71.19280	1.0
71.19636	1.7
79.05476	1.2
81.07052	1.2
88.46388	0.6
91.05490	0.9
93.07036	0.8
105.07053	1.5
107.08553	0.6
116.09299	0.8
123.05507	0.8
133.10156	1.5
143.27409	0.8
209.76144	0.7
249.34698	0.7
276.20432	0.9
362.09766	0.7
388.17148	0.7
389.17691	3.6
390.18494	1.6
391.19135	1.7
402.18646	1.6
403.19476	6.2
404.20135	2.3
405.20822	3.4
415.19562	1.0
416.16446	2.2
417.16104	5.0
417.21060	3.2
418.17416	1.4
418.22458	1.0
419.22452	8.2
429.21143	0.9
430.17657	0.9
431.18317	10.5
432.19485	3.1
433.19962	3.4
444.19385	1.0
445.20261	9.0
446.21042	7.2
447.21753	11.9
459.17874	2.2
459.23090	1.1
460.18484	1.2
461.19598	1.4
463.25443	1.5
473.18896	0.9
474.20392	13.3
475.21231	14.6
476.21851	0.8
487.21350	2.6
488.21957	1.3
491.20682	2.6
501.22491	1.7
502.22394	0.8
505.22165	1.3
519.24103	14.3
547.23389	69.9
548.23932	2.8
561.24982	1.3
579.25989	4.2
607.25513	100.0
608.25806	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	606.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25787	9.6
55.01885	10.7
55.05505	19.6
57.03423	30.3
67.05508	72.3
69.07056	36.4
71.19530	21.5
76.88785	8.4
79.05118	9.7
79.05492	100.0
81.07058	57.4
83.08619	20.8
83.63480	8.9
90.91550	9.6
91.05481	59.2
91.28278	10.7
93.07045	94.1
95.04983	16.6
95.08585	44.7
97.06519	24.5
102.77056	8.6
105.07005	42.9
107.08570	22.9
109.10139	19.8
111.83584	10.8
113.97847	8.5
117.06995	18.4
119.08572	26.8
121.10132	60.3
131.08566	37.0
133.10117	34.8
135.08096	12.5
135.11720	13.5
143.08577	12.0
145.10124	21.9
149.09601	19.2
159.11731	15.2
163.05040	9.7
163.11223	17.5
201.16479	10.6
215.18031	10.7
227.12778	26.7
229.15776	13.9
247.16963	24.7
283.15491	11.6
307.22546	65.8
321.20547	22.9
335.25708	13.5
473.32492	33.0
546.25812	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	607.255
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.94712	0.2
51.68541	0.2
63.10061	0.2
66.02875	0.2
69.32352	0.3
69.32751	1.8
69.80192	0.2
69.96211	0.2
82.67243	0.2
83.33163	0.2
89.71324	0.2
90.92525	0.2
93.07023	0.2
98.21208	0.8
110.06194	0.2
117.54181	0.2
141.17055	0.2
149.62683	0.2
156.96996	0.2
161.46902	0.2
178.23141	0.2
189.72389	0.3
195.09207	0.3
209.10834	0.4
211.12318	0.2
221.10783	0.4
223.12341	0.5
249.13756	0.2
286.13303	0.2
287.13983	0.2
298.13293	0.3
309.12839	0.3
311.14093	0.2
324.15091	0.4
373.14252	0.3
374.15210	0.5
375.16141	0.6
382.15823	0.3
386.16043	0.3
387.16266	0.7
388.16931	1.2
389.17630	2.8
390.18500	1.3
391.19397	1.2
401.17868	1.0
402.14185	0.5
402.19165	1.0
403.19504	4.4
404.20209	2.1
405.20847	3.1
406.21344	0.3
415.19711	0.5
416.15753	1.2
416.21097	0.3
417.16162	3.9
417.21127	2.2
418.16809	1.0
418.21722	0.9
419.22467	7.4
420.23059	0.9
429.16809	0.4
430.17310	1.2
431.18332	8.1
432.19211	4.0
433.20096	3.4
435.21472	0.3
441.17056	0.3
443.18649	0.4
444.19705	0.5
445.20166	5.9
446.21057	8.4
447.21780	8.9
448.23087	0.5
458.21121	0.3
459.17651	0.9
459.22189	1.2
460.18237	0.5
460.23523	0.4
461.19333	1.7
462.24368	0.7
463.25201	0.9
473.19064	0.7
473.23904	0.8
474.20471	5.6
475.21201	5.5
476.21994	0.5
477.23343	1.2
478.23679	0.8
479.24350	0.3
487.21313	1.6
488.22040	0.4
490.23868	0.8
491.20023	3.1
501.22849	1.1
502.24094	0.3
503.25168	0.4
504.21527	0.4
505.22144	0.7
506.22922	0.5
515.20361	0.3
519.24078	17.8
520.23975	0.5
529.22180	0.4
532.21228	0.3
543.16760	0.3
547.23419	13.1
548.23676	0.6
551.27057	0.5
561.24548	0.3
564.23242	0.4
575.22717	0.3
579.25946	5.6
579.34393	0.4
589.24640	0.3
605.63153	0.2
607.25525	100.0
608.25891	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	605.416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.5
56.05021	3.1
57.07052	1.0
67.05510	6.8
69.07076	4.9
70.06571	2.4
71.57924	0.9
72.08117	1.1
78.00984	0.8
79.05464	3.0
81.07061	16.5
83.04982	1.1
83.06110	25.5
83.08611	2.7
84.04506	48.0
84.08128	0.9
85.02892	1.8
86.09728	1.1
91.05478	3.1
93.07062	6.3
95.04937	1.0
95.08607	13.5
97.06509	1.5
97.10175	1.9
98.06053	1.0
100.93977	0.8
101.07148	10.3
102.05526	5.4
103.05479	1.0
105.07040	1.7
107.08579	6.4
109.10167	13.4
111.11768	0.9
119.08566	4.2
121.06469	1.0
121.10152	4.4
122.07275	2.3
123.11694	5.4
129.06606	57.4
130.05011	56.6
130.06468	11.2
133.10129	2.7
135.11694	3.2
137.09605	13.4
137.13234	2.4
139.11244	1.1
145.10139	1.3
147.07646	45.5
147.11580	1.3
149.09618	4.0
149.13237	2.9
151.11133	2.0
151.14827	1.6
153.09004	1.0
159.11703	1.6
161.13246	1.8
163.14835	2.3
165.09120	100.0
167.10672	0.9
175.11186	1.2
179.10681	1.2
189.12756	4.7
191.17976	1.7
203.14377	1.3
205.12259	4.3
237.15343	1.0
256.82147	0.9
271.24011	1.6
272.09042	0.9
272.59583	1.0
277.25269	3.1
285.17987	0.9
289.25296	3.4
298.12793	0.9
326.03497	0.9
365.24188	1.4
371.42856	1.1
405.31195	1.6
406.29382	2.8
418.29459	2.1
423.32181	38.1
435.32263	10.0
441.33545	2.8
569.39612	2.0
570.38068	1.8
587.40637	9.1
605.25275	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	7.7
54.34354	1.5
55.01863	3.3
55.05518	18.4
57.03446	7.6
57.07063	1.6
59.04991	2.9
59.56618	1.4
62.06034	1.5
65.03940	2.8
66.05100	1.6
67.05506	100.0
69.03072	2.8
69.03431	37.5
69.07070	10.4
69.66792	2.1
69.67184	9.3
71.04989	3.4
73.06583	1.6
79.05495	39.5
81.03421	21.6
81.07057	37.2
83.04984	7.4
83.08620	10.4
85.02895	4.3
85.06535	4.4
87.04439	1.5
91.05479	37.5
91.06007	2.9
93.07047	36.6
95.04974	12.1
95.08601	26.3
97.02892	5.4
97.06541	3.8
97.10174	4.5
99.04456	2.6
99.08118	2.0
105.07023	26.5
107.04971	5.1
107.08611	16.0
109.02883	4.5
109.06523	8.6
109.10155	54.1
111.04469	5.3
111.08084	6.4
115.05429	3.8
117.07013	15.4
119.08595	21.0
121.06512	4.6
121.10149	13.2
123.08083	4.7
123.11682	2.5
125.09640	6.2
127.03881	1.7
128.06252	2.2
129.07016	9.0
131.08575	14.7
133.06488	4.3
133.10130	16.8
135.08064	8.6
135.11705	8.0
137.05956	2.6
137.09641	7.0
140.54706	1.7
141.07007	2.5
142.07767	2.1
143.08569	7.1
145.06467	4.6
145.10118	14.6
147.08078	3.4
147.11656	8.7
149.09610	7.2
149.13246	3.8
151.11133	1.5
155.08562	5.0
155.10678	3.5
157.10190	8.9
159.08089	3.4
159.11731	10.0
161.09615	6.8
161.13266	5.0
163.11165	4.1
167.08566	3.1
169.10132	4.5
171.11676	7.8
173.11754	16.2
173.13258	4.2
175.11154	5.7
177.12831	2.2
181.10255	2.8
183.11739	5.4
185.09660	2.2
185.13258	4.0
187.11224	3.4
189.11153	2.9
189.12715	3.7
191.10597	2.8
193.12430	1.7
195.11702	2.0
199.11319	2.5
199.14862	2.3
201.12756	2.1
203.14281	2.0
211.11151	2.1
213.12927	2.0
213.16440	4.1
215.18036	2.6
221.13385	1.7
227.12643	1.9
229.12134	3.3
229.14256	22.2
231.17500	3.0
249.18585	3.5
255.17505	3.5
257.19080	2.8
273.18484	5.5
291.19528	3.8
295.20624	1.5
299.14975	2.4
303.19919	1.6
311.19870	2.7
317.21240	3.0
323.20087	3.7
341.21078	10.8
355.17761	2.1
359.22168	4.6
365.23230	3.1
377.23285	2.2
415.24561	2.3
433.25839	6.8
531.32941	1.9
569.34637	4.3
587.35583	9.3
605.36499	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
53.56525	0.3
55.01872	0.8
65.03920	0.3
66.04725	0.2
67.05488	0.4
70.06589	2.2
71.58318	0.4
72.08158	0.7
77.34626	0.2
79.05493	0.8
81.03404	0.4
81.07049	0.6
84.04495	0.6
84.08133	0.6
85.02907	0.6
86.09701	1.1
91.05466	0.7
93.07009	0.3
94.04192	1.7
105.07005	0.4
107.04951	0.4
109.02874	0.5
111.04473	0.3
115.05439	1.1
117.07008	1.0
119.05013	0.3
119.08562	0.3
120.08129	0.4
122.03654	4.8
127.03888	0.5
129.10268	0.3
129.93201	0.3
130.04977	0.3
130.06569	0.8
133.10063	0.3
136.07559	0.3
137.05977	100.0
138.06306	1.0
141.05435	0.5
143.04926	6.1
145.06496	0.5
151.03908	18.8
151.04996	1.1
160.05237	0.3
161.05984	0.3
161.09624	0.4
165.05534	0.4
175.07553	2.4
177.05452	0.5
177.09067	0.3
187.07584	0.3
189.09016	0.3
203.07007	1.6
205.08556	2.4
234.40125	0.3
261.47763	0.3
290.11838	0.5
295.09457	0.3
306.08914	0.4
307.09634	0.4
321.11197	0.6
327.12274	7.7
339.12213	1.2
357.13318	60.0
358.13782	1.4
466.15271	0.4
605.18530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
55.38344	0.4
57.07077	1.0
66.95644	0.4
67.05495	1.8
69.07064	0.7
71.08640	0.8
77.71389	0.4
79.05510	0.9
81.07053	1.9
83.08587	0.7
87.04458	0.5
88.92384	0.4
91.05483	1.0
93.07024	0.7
95.08594	1.2
98.20759	0.9
105.07020	0.5
107.08620	0.7
109.10162	0.7
119.08536	0.7
131.08514	0.5
133.10095	0.6
155.36874	0.5
159.11679	0.7
177.12805	1.6
178.13033	0.5
229.63976	0.5
263.16486	0.7
275.20108	1.2
313.27274	0.7
401.17917	0.8
414.18359	1.5
415.19266	4.4
416.20056	1.8
427.19565	0.8
428.20209	1.4
429.20819	7.8
430.21533	3.8
431.22485	1.1
442.22104	0.6
443.22623	4.5
444.23615	6.2
445.24158	4.2
448.26389	0.7
455.18604	0.5
457.19650	0.9
457.24619	1.0
458.25620	2.7
459.21350	1.8
459.25735	2.7
470.20996	0.5
471.21918	1.2
472.22565	3.6
473.23434	5.6
474.24524	2.3
485.23407	3.5
486.23944	1.5
487.24915	20.9
488.25635	1.4
498.20508	0.6
502.23679	0.7
503.24536	1.7
513.22974	0.7
517.26166	2.3
532.25189	1.1
545.25439	17.4
546.26422	3.7
573.25061	1.1
605.27563	100.0
606.27899	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	604.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	16.3
55.01864	5.6
55.05296	3.0
55.05513	29.9
57.03427	8.0
65.03940	7.0
67.05509	99.6
69.03079	2.9
69.03436	43.5
69.07068	23.1
71.04984	7.4
71.08611	2.7
71.19927	5.1
73.02921	3.7
79.05065	3.9
79.05498	69.2
80.05009	5.2
81.03423	77.0
81.07059	100.0
83.04976	11.3
83.08620	17.4
83.83904	2.4
85.02908	25.9
85.06552	3.0
87.04467	12.0
89.88428	2.2
91.05483	51.1
93.07047	79.1
95.04964	13.4
95.08046	4.7
95.08614	66.7
96.04533	3.2
97.02896	37.2
97.06538	6.6
97.10169	7.3
99.04453	9.1
99.08083	5.7
103.03947	3.9
103.05467	2.9
105.06391	3.5
105.07045	44.3
107.04965	4.2
107.08594	42.6
108.04493	25.9
109.02879	18.3
109.06491	6.7
109.10157	26.2
109.28948	2.8
111.04444	6.9
115.03938	3.6
115.05413	3.1
117.07034	22.1
119.08583	37.9
121.06539	13.1
121.07262	2.9
121.10153	36.4
122.35477	2.4
123.04404	3.4
123.08094	4.3
123.11716	11.7
125.09617	3.1
126.05515	8.6
127.03937	16.2
128.06218	6.1
129.05470	3.0
129.06985	13.7
131.08586	32.5
133.06509	3.6
133.10146	22.8
135.08044	7.0
135.11696	28.8
137.06024	3.4
137.09595	4.8
137.13248	3.9
143.08539	11.0
144.06577	2.8
145.04913	5.2
145.10139	25.3
147.08037	5.7
147.11708	20.6
149.09636	5.1
149.13254	15.6
151.07524	2.9
151.11205	3.3
155.08522	6.1
157.10164	15.6
159.08083	2.8
159.11702	19.8
161.09573	7.0
161.13301	13.2
163.07573	5.4
163.14830	5.6
169.10181	5.3
171.11711	10.9
173.13252	16.5
175.11201	3.9
175.14886	4.1
177.09109	2.5
177.12767	26.2
181.10104	4.6
183.11702	5.3
185.09665	2.6
185.13277	8.2
187.11270	5.0
187.14839	5.6
189.09003	2.9
193.10152	2.9
195.11737	3.1
197.13234	4.4
199.14818	4.8
201.16533	4.2
203.14430	3.1
207.10139	6.3
209.13202	4.0
213.12750	3.6
243.21129	3.9
259.20657	6.0
261.19373	3.1
261.22134	23.0
263.16452	9.6
273.22308	3.2
277.14316	3.9
277.21652	5.2
285.21988	3.9
291.23190	6.0
292.19336	2.7
295.15405	2.9
301.21655	5.2
303.23135	9.0
315.23181	8.8
327.23206	3.4
341.24799	6.6
345.24362	3.4
351.23135	8.6
359.25723	4.3
369.24329	24.6
374.32599	2.7
387.25150	17.9
403.32593	3.5
405.26154	13.7
415.00467	2.8
491.00372	2.7
582.87579	2.7
604.45612	6.8
605.41040	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	603.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.7
55.01858	11.6
55.05264	4.0
55.05515	68.8
57.03427	13.7
57.06829	3.0
57.07078	50.3
67.05511	76.0
69.03428	4.6
69.07071	62.6
71.04996	7.3
71.08631	32.5
79.05492	61.9
81.07063	92.5
83.04955	6.5
83.08622	50.0
85.06537	4.2
85.10189	19.1
91.05484	85.1
93.07054	58.4
95.04948	10.6
95.08612	62.0
97.06515	16.8
97.10162	36.0
98.20856	13.8
98.21544	4.8
103.05484	6.3
105.07027	76.8
107.04943	10.3
107.08605	30.7
109.06496	9.8
109.10158	21.8
111.08055	5.7
111.11732	4.4
115.05436	8.8
116.06208	4.6
117.07015	47.6
119.08582	41.0
121.06497	9.1
121.10120	23.3
123.08034	6.9
123.11729	7.5
125.09624	8.4
128.06235	26.7
129.07008	27.8
130.07770	13.1
131.08574	97.8
133.06471	10.7
133.10141	33.5
135.08063	6.4
135.11674	11.2
137.09573	4.0
137.13255	4.5
141.06992	14.1
142.07784	8.2
143.08568	92.0
145.06464	4.0
145.10136	100.0
147.08049	9.7
147.11684	9.6
149.09619	15.1
149.13190	3.8
151.11174	5.2
154.07811	3.9
155.08540	9.7
157.10117	30.7
159.08037	3.7
159.11671	22.2
161.09636	12.5
161.13261	4.5
163.11250	5.2
165.06906	3.1
165.12721	3.6
169.10152	11.2
171.11656	23.6
173.13225	6.6
175.11186	8.1
177.12805	6.9
181.10167	14.3
183.11684	11.6
185.13245	10.7
187.11134	4.5
189.12767	3.6
195.11731	22.2
197.13264	3.8
227.12749	5.4
227.17928	8.0
237.16493	19.2
237.22089	4.9
239.23639	4.2
241.14380	6.9
245.19016	8.5
255.17508	20.1
257.18857	4.4
273.15790	6.0
273.18509	70.9
275.20074	29.4
291.19531	10.4
293.21072	6.9
311.25787	30.6
313.27377	94.3
329.21149	3.9
347.22131	25.9
349.23831	17.9
491.37146	13.3
505.39249	15.3
585.45093	38.6
603.46021	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	603.3867
Annotation	UNII-5M144D60TC
Peak:m/z	Relative Intensity
53.03947	0.7
55.01849	0.5
55.05500	1.4
57.07073	0.5
69.07072	1.6
69.54372	3.2
79.05498	2.4
81.07057	4.4
83.08604	1.1
91.05470	2.5
92.19905	0.5
93.07038	3.0
93.20792	0.5
94.07386	0.8
95.04980	1.2
95.08616	2.2
96.18627	0.5
98.20941	1.7
98.21526	0.5
105.07007	2.7
107.08660	1.2
109.10160	1.5
119.08605	1.9
121.10155	2.0
121.49599	0.5
123.08083	0.9
127.58585	0.5
131.08621	1.3
133.10121	1.2
135.11743	1.0
143.08554	0.7
144.09238	0.5
144.33688	0.5
145.10123	1.1
147.11765	0.6
154.47470	0.4
157.10217	1.0
159.11690	0.7
168.11108	0.6
169.10149	0.7
171.11697	0.7
188.10040	0.5
193.12386	0.7
222.15671	0.7
251.12648	2.2
259.12369	0.5
269.13605	6.6
270.43378	0.5
307.15189	1.2
325.16226	3.9
331.11371	0.6
585.37360	4.9
603.38721	100.0
604.38898	2.1
614.46411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.9
55.05509	26.3
57.03431	17.6
57.07075	27.3
67.05507	52.1
69.03434	12.2
69.07065	47.9
69.38574	39.7
71.08631	8.1
79.05490	38.3
80.05839	7.5
81.03421	66.7
81.07056	64.3
82.07409	10.0
83.04987	7.2
83.08617	42.5
85.06526	7.3
89.92612	4.5
90.89373	4.6
91.05482	50.5
92.05833	5.3
93.07054	68.5
94.07359	10.9
95.04967	30.5
95.08613	51.3
95.98811	4.4
96.08935	5.7
97.06525	10.5
97.10162	15.8
98.20726	10.1
98.21405	11.9
103.59550	5.0
105.07027	54.7
106.07367	11.4
107.04947	8.0
107.08578	39.7
108.08944	8.3
109.06510	13.1
109.10155	27.2
110.10500	4.5
111.04424	4.5
111.08104	8.1
117.06998	15.9
119.08587	53.8
120.08921	16.1
121.06490	10.3
121.10173	32.0
122.10443	7.7
123.08070	19.8
123.11718	8.0
125.05975	7.9
128.06218	5.6
129.06999	13.7
131.08591	27.4
132.08919	6.4
133.06474	7.9
133.10124	31.9
134.10472	9.3
135.08066	10.5
135.11674	12.9
136.01810	4.3
137.09633	17.8
142.07782	8.6
143.08527	18.9
144.08966	8.1
145.10158	31.5
146.10440	14.3
147.08055	24.6
147.11681	17.9
148.08394	8.0
149.09602	13.1
150.09909	7.9
151.07518	11.2
153.09140	4.2
155.08568	7.9
157.10147	29.0
158.10512	11.7
159.11659	11.6
159.12885	4.9
160.12071	8.0
161.09526	6.5
163.11171	13.5
165.09128	48.1
166.09433	19.2
169.10083	11.2
171.11661	14.1
172.12148	6.5
173.13251	6.4
175.11218	7.8
181.12260	5.0
182.10968	5.5
183.11624	9.3
185.13228	7.7
185.55313	4.4
187.14847	7.2
189.12773	7.8
190.13229	5.6
193.12260	25.6
196.12018	7.1
197.13155	9.1
198.13333	4.2
201.12642	5.9
203.14302	12.4
204.14604	7.0
207.13762	9.2
211.14815	6.1
221.13268	9.5
221.15350	67.8
222.13693	7.4
222.15700	45.6
231.42865	4.9
247.17007	9.7
258.83481	4.4
267.15897	100.0
288.20370	5.4
300.20413	5.8
326.22021	4.5
339.28931	80.0
353.23740	6.1
354.24496	7.1
428.28638	5.5
441.29572	6.0
442.29492	8.8
492.35852	7.4
510.36176	7.9
522.36310	11.2
531.40552	60.9
549.41345	10.5
584.42084	25.0
602.34326	24.7
602.43579	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53040	0.5
52.72180	0.6
53.03938	2.4
55.01857	1.7
55.05513	9.6
56.05016	1.3
57.03444	1.0
57.07061	1.8
57.98814	0.8
58.99587	10.8
59.61275	0.7
61.01134	0.7
65.03931	1.4
67.05505	18.6
69.03416	0.9
69.07070	10.6
69.29189	1.6
69.29599	4.0
70.02934	0.6
70.06568	0.9
71.04984	1.7
71.08611	0.7
73.01147	1.0
74.00668	6.1
76.02224	20.0
76.03992	2.5
78.03769	0.7
78.66901	0.6
79.05493	28.3
80.05000	0.9
81.06572	1.3
81.07058	26.5
83.04979	1.2
83.06099	2.4
83.08622	5.8
84.04501	12.0
85.02915	0.8
85.04015	0.8
85.06545	1.1
86.09685	0.9
86.99062	5.3
88.02219	1.7
91.00858	0.7
91.05474	15.9
93.07043	43.2
95.04970	3.4
95.08607	20.1
97.01118	1.6
97.06531	2.4
97.10162	2.3
99.05573	2.0
102.05574	0.8
105.07029	15.9
107.04981	0.8
107.08594	28.6
109.06525	1.8
109.10168	6.6
111.02664	1.8
111.08083	0.7
112.03999	0.6
113.04210	0.8
114.03755	0.7
116.01678	23.0
117.07011	5.2
119.08585	12.7
121.06477	1.3
121.10143	17.8
123.02625	1.2
123.08024	1.8
123.11719	1.7
125.04217	0.9
125.09548	0.7
129.06755	3.6
130.04999	6.7
131.08560	7.6
133.08493	0.6
133.10115	9.7
135.08032	1.1
135.11691	21.6
136.06189	0.8
137.04204	1.1
137.09607	1.2
142.03220	6.9
142.07817	0.7
143.08525	3.4
144.01152	11.3
145.06075	3.0
145.10149	5.2
147.11690	10.3
149.09610	1.8
149.13252	14.7
151.05824	1.1
153.06595	0.9
157.10136	2.6
159.11690	4.2
161.09639	1.1
161.13240	4.9
162.02205	41.9
163.11171	1.9
163.14824	3.4
167.10744	0.7
169.10104	0.9
170.02713	2.4
171.11653	3.8
173.13257	4.4
175.11116	1.3
175.14790	1.8
177.03247	1.8
177.12735	1.1
179.04845	15.2
179.06432	0.8
179.14243	0.7
180.03206	0.9
181.12198	0.9
184.12599	0.6
185.03799	1.6
185.13286	3.1
187.05394	1.2
189.12724	1.7
195.13843	1.0
199.07002	0.8
199.14810	1.8
203.14360	1.2
207.13754	1.8
209.15411	0.7
213.16309	0.8
221.15430	1.3
224.16525	1.6
231.04356	2.1
231.17300	0.7
233.05945	1.9
235.16963	2.1
241.19426	3.2
245.05956	2.7
250.17894	1.1
257.19052	1.1
259.20560	8.2
265.12665	0.9
273.18362	0.9
275.20078	3.9
277.21622	100.0
278.21863	1.2
289.16278	2.0
291.17709	1.8
294.24258	1.0
295.22742	2.1
307.17068	3.1
308.09018	4.3
309.18777	4.4
334.21912	1.2
335.20450	2.4
352.23090	4.0
353.21573	0.8
362.21503	2.0
370.24091	20.0
420.21808	1.1
438.22968	5.7
455.25745	16.5
456.24396	3.8
473.26822	26.7
481.27106	0.8
509.26474	0.8
527.27911	12.0
584.29382	2.3
602.31134	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	602.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.3
56.05027	1.6
56.70078	0.6
60.04526	1.2
66.59836	0.6
70.02581	1.5
70.02954	24.5
70.06580	2.4
70.76766	1.5
72.04527	0.7
74.02445	3.5
76.04005	7.1
76.46821	0.6
82.06572	1.5
83.06106	3.0
84.04503	11.6
84.08132	1.8
86.09706	1.0
88.03987	2.1
96.04488	1.2
98.21114	1.1
99.05578	6.9
100.07603	0.6
103.05048	0.7
107.12767	0.6
108.04448	1.0
109.07627	2.7
110.06035	1.0
112.03957	2.7
116.03449	3.3
117.06625	0.7
121.01089	1.9
123.13815	0.9
124.03915	0.9
125.07108	1.6
127.05022	1.4
129.06584	2.7
129.10281	0.7
130.05013	9.6
135.05490	1.0
136.03978	1.0
137.00549	0.8
137.07135	1.7
145.06082	100.0
149.00565	5.8
149.85652	0.6
153.06596	5.4
154.04947	0.7
155.08157	3.3
160.00629	5.6
163.02133	2.4
163.03783	0.9
165.00046	3.5
165.06583	0.8
166.07271	1.1
169.06108	1.4
173.00552	1.1
175.02267	0.8
175.03812	0.8
179.01616	15.3
181.06107	1.7
181.26077	0.7
183.07661	1.0
189.00117	1.6
191.01643	3.7
192.99556	6.1
193.03180	1.9
194.02698	6.7
195.01117	22.4
199.07133	8.5
200.99965	1.1
207.01132	7.7
208.01900	0.8
208.04300	2.3
209.02698	1.6
211.07132	9.8
219.01105	5.3
236.03810	7.0
237.02171	0.8
256.09235	1.4
257.07675	0.8
264.03268	32.1
264.06122	1.7
274.10318	3.0
284.28189	0.7
289.51773	0.8
297.05698	1.0
322.03830	4.7
339.06503	3.3
347.06894	1.3
353.03159	1.1
365.08072	1.5
370.05881	6.6
393.07535	4.5
405.07410	0.8
411.08450	1.1
440.21808	0.9
449.50494	1.0
455.42834	0.8
468.10715	1.9
473.08701	6.9
527.09601	11.2
577.79321	0.8
602.12604	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	601.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78062	2.1
53.03952	5.8
55.01875	8.5
55.05260	4.0
55.05515	61.6
57.03447	11.3
57.07080	20.0
67.05507	39.8
67.23936	2.3
68.05830	2.1
69.03408	3.8
69.07072	53.8
69.13352	2.4
71.04974	2.5
71.08648	11.4
74.15492	2.1
79.05496	40.6
81.03392	3.1
81.07062	53.4
83.04977	6.8
83.08628	48.7
85.06543	3.6
85.10175	4.4
87.04459	2.6
89.06038	3.2
91.05488	63.8
91.06064	3.5
93.07050	41.2
95.04971	7.7
95.08615	35.0
97.06554	6.6
97.10175	27.4
97.21230	2.0
99.04489	2.3
105.06373	4.3
105.07037	54.2
107.04942	4.9
107.08605	16.9
109.06526	8.0
109.10133	10.6
111.08050	4.6
111.11724	8.8
115.05486	4.1
116.06242	5.5
117.07018	35.3
119.08575	32.4
120.08959	2.2
121.06495	4.6
121.10126	16.0
123.08097	7.4
123.11701	5.0
125.09618	5.0
128.06192	22.9
129.07008	21.4
130.07794	9.8
131.08577	69.9
133.06480	5.1
133.10126	19.9
135.08057	6.1
135.11691	9.7
137.09712	2.6
139.11172	2.7
141.07001	10.0
142.07759	3.4
143.08565	74.3
145.10133	67.3
147.08064	8.3
147.11699	7.8
149.09727	3.5
149.13274	3.7
153.07076	2.9
155.08569	8.3
157.10124	20.3
159.08090	7.8
159.11673	14.0
161.09636	8.2
161.13213	4.5
163.11237	5.8
165.07022	3.5
166.07759	3.1
167.08640	5.4
169.10117	14.5
171.11702	14.4
173.13306	2.9
175.11232	5.2
177.12752	4.2
180.09322	3.0
181.10149	9.4
183.11716	6.9
185.13307	7.8
189.12762	3.3
195.11705	17.9
201.12823	3.1
211.14873	3.2
213.12775	3.5
227.17957	4.6
237.16394	18.7
237.22182	7.4
239.14781	2.3
241.14340	4.2
245.19061	5.9
255.17381	16.1
273.18484	48.7
291.19476	13.7
311.25806	100.0
317.89697	2.3
327.80774	2.3
329.21130	6.1
347.22238	22.3
354.96051	2.8
455.14209	2.3
489.35220	3.0
583.43469	29.1
601.44250	17.7
601.52789	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	601.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44802	3.7
53.03945	10.6
55.05519	33.9
57.07071	10.5
59.04996	6.3
63.18259	4.0
65.03954	6.1
67.05502	39.7
69.03426	16.2
69.07069	28.1
69.27780	48.0
71.05007	6.6
76.53502	4.5
79.05492	40.0
81.07053	50.8
83.04977	19.0
83.08619	39.6
85.06532	6.4
87.04438	4.4
91.05491	59.9
93.07055	80.0
93.42728	5.1
95.04965	25.8
95.08611	46.8
97.06540	21.6
98.20941	20.6
98.21614	6.9
99.08097	5.7
103.05489	6.4
105.07033	100.0
107.04927	5.0
107.08609	75.6
109.06503	18.9
109.10158	40.9
111.08085	8.9
111.11697	4.9
113.09620	9.8
115.05434	5.0
117.07051	23.9
119.08588	90.1
121.06532	10.6
121.10148	84.4
123.08064	19.7
123.11698	14.9
125.09617	14.0
128.06215	15.0
129.07010	19.5
130.07805	8.4
131.08575	47.7
132.09329	4.5
133.10127	66.1
135.08055	15.4
135.11707	24.8
137.09627	9.2
139.11148	10.8
141.06998	7.5
142.07787	28.1
143.08563	45.4
144.09319	14.3
145.10132	66.0
147.08034	12.3
147.11684	31.7
149.09622	20.3
149.13312	5.6
151.07599	6.9
151.11119	4.2
153.07028	5.8
155.08556	15.4
155.10660	10.8
156.09323	16.0
157.10138	52.4
158.04146	4.4
158.10930	8.0
159.08032	12.2
159.11700	41.8
161.09648	13.3
161.13269	10.5
163.11200	12.1
163.14784	5.5
165.07001	8.4
165.09109	13.3
166.07857	5.3
167.08551	12.9
167.10686	59.2
168.09355	10.1
169.10109	30.4
170.10846	7.0
171.11650	39.2
173.09622	6.0
173.13290	26.5
175.11137	11.1
175.14832	14.0
179.08502	11.6
180.09326	6.1
181.10156	14.3
181.12236	15.3
182.10889	10.1
183.11655	23.5
184.12558	5.4
185.13243	28.5
187.14806	12.1
191.14262	12.8
192.09355	5.5
193.10121	7.5
194.10864	7.8
195.11723	21.0
196.12390	8.3
197.13252	38.3
199.14827	17.9
201.12790	5.5
201.16626	5.0
203.14273	6.9
205.10110	7.0
206.10899	9.7
207.11708	13.8
207.13687	10.0
209.13281	31.4
210.13858	4.6
211.14784	20.2
213.16171	5.5
215.14169	5.3
217.15924	6.9
219.11696	6.6
220.12424	8.8
221.13226	17.7
221.15396	24.3
222.15704	5.1
223.14847	18.4
225.12807	4.8
225.14664	10.3
225.16560	9.5
231.11754	5.3
231.17503	7.6
231.19839	4.9
233.13321	7.2
233.15392	31.0
234.15845	6.7
235.14818	14.6
239.14246	6.5
239.18024	10.8
246.13914	7.0
247.14760	11.0
249.16330	10.0
251.18037	5.2
256.64539	4.5
259.14664	5.9
261.16394	7.1
263.18015	6.4
269.19040	10.1
273.18719	4.8
275.17786	5.1
281.18896	5.3
283.20557	7.8
289.19604	9.7
343.23929	5.5
360.46368	5.6
361.25305	12.2
363.26801	6.2
365.24628	6.5
375.25949	6.4
415.29767	15.4
498.13916	4.9
565.40070	10.0
583.41571	23.6
601.42163	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.8
55.05508	27.0
57.07064	9.7
59.04992	9.3
65.03931	6.1
67.05501	34.6
69.03431	18.1
69.07072	22.6
69.31433	7.9
69.31836	25.2
71.04987	3.1
79.05125	3.2
79.05494	37.9
81.07058	54.2
83.04982	24.0
83.08635	14.8
85.06525	6.5
91.05473	71.3
92.05796	3.3
93.07040	87.9
94.07353	5.5
95.04971	31.4
95.08600	40.8
97.06537	14.9
103.05455	6.8
105.07029	99.4
106.01568	3.1
107.08595	81.0
108.08898	3.8
109.06522	25.2
109.10162	41.5
111.08083	7.8
113.09670	4.6
115.05402	9.7
117.06990	26.2
119.04922	3.3
119.08582	100.0
120.08911	5.0
121.06494	14.9
121.10139	85.3
122.10459	3.7
123.08060	21.6
123.11669	9.2
125.09635	18.5
128.06174	16.1
129.07024	22.5
130.07790	9.2
131.08554	52.8
133.06451	5.6
133.10126	73.5
134.10425	4.7
135.08067	18.6
135.11682	20.2
136.12006	3.3
137.09619	6.9
139.11153	11.2
141.06967	10.8
142.07777	26.4
143.08557	53.2
144.09325	16.6
145.06462	4.1
145.10117	84.5
146.10597	4.1
147.08029	13.8
147.11676	31.3
149.09642	18.0
149.13278	5.8
151.07532	5.0
151.11151	3.2
153.06999	4.7
154.07704	4.6
155.08614	22.1
155.10617	6.0
156.09349	24.9
157.10129	64.6
158.10913	6.8
159.08058	19.1
159.11684	44.7
160.12068	5.7
161.09656	17.8
161.13229	9.0
163.11168	8.3
163.14909	3.4
165.06938	7.1
165.09088	11.5
166.07690	5.3
167.08505	9.9
167.10655	67.9
168.09279	11.0
169.10136	28.8
170.10820	12.4
171.08243	4.0
171.11676	38.6
172.12140	5.8
173.09612	11.4
173.13268	29.0
175.11249	16.4
175.14853	16.8
177.12669	4.3
179.08560	12.8
181.10117	20.7
181.12221	6.4
182.10867	13.1
182.50926	3.3
183.11632	32.7
184.12303	7.3
185.09641	6.9
185.13263	23.5
187.11163	10.6
187.14795	10.9
189.12799	6.9
190.13316	5.6
191.14192	9.1
192.09312	6.5
193.10146	15.6
194.10860	10.6
195.11661	27.3
196.12350	11.2
197.13272	28.5
199.11171	7.9
199.14810	13.1
201.12646	7.4
201.16483	6.0
203.14314	10.4
205.10068	3.4
206.10811	6.8
207.11708	19.7
207.13524	4.3
208.12421	9.8
209.13293	29.2
210.13832	5.9
211.14835	21.4
212.11905	3.7
212.15215	5.4
213.12787	8.6
213.16290	3.5
215.14326	8.9
217.10165	5.3
217.15892	4.0
218.16637	4.1
219.11659	6.6
220.12431	5.0
221.13216	17.7
221.15353	14.8
222.13898	5.0
223.14807	19.3
225.12753	4.5
225.16400	11.2
227.14261	7.1
231.11629	7.5
233.13245	7.4
233.15332	32.8
234.13832	4.5
234.15919	5.0
235.14758	9.3
236.15508	3.5
237.16353	8.4
238.16737	4.5
239.17862	5.0
247.14775	8.8
249.16263	6.8
250.13129	3.8
251.17935	10.4
255.17412	10.5
261.16370	7.0
263.17886	8.1
264.69073	3.2
265.19427	4.3
269.18881	8.3
273.18600	7.5
275.17889	4.1
277.19626	4.3
281.18979	4.3
283.20541	5.3
285.18494	4.3
289.19357	6.1
291.21103	3.7
295.20160	3.5
299.20087	4.9
349.25381	5.2
353.24768	3.6
361.25232	4.9
365.24881	3.2
367.26407	4.7
428.93777	3.4
565.40131	4.3
583.41260	7.0
601.42242	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	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73771	2.3
53.03939	5.2
55.01862	3.6
55.05513	21.1
57.07075	8.5
59.05011	3.5
65.03928	7.8
65.54192	2.6
67.05503	36.2
69.03426	16.9
69.07063	24.8
69.91518	11.6
70.99581	17.2
71.04976	4.9
71.99916	3.5
73.00305	2.2
79.05054	3.1
79.05495	34.8
81.03416	4.0
81.07061	42.2
82.07354	2.8
83.04992	12.2
83.08630	13.5
85.01145	3.1
85.06575	3.9
87.02681	6.7
87.04471	3.6
89.06029	6.9
91.05482	59.1
92.05814	4.7
93.07047	69.4
94.07394	5.4
94.97197	2.1
95.04977	23.7
95.08610	36.9
97.06547	11.6
98.20845	2.8
98.21336	2.6
99.08084	2.7
103.05463	6.9
105.07037	85.7
106.07381	6.9
106.82356	1.8
107.04941	3.7
107.08601	66.8
108.08958	4.7
109.06548	13.3
109.10159	30.4
110.10489	2.3
111.08080	4.9
113.09656	6.4
115.05460	7.4
116.06234	4.0
117.07022	22.8
117.12167	2.1
119.08585	85.9
119.12853	2.8
120.08936	6.8
121.06498	13.3
121.10143	77.0
121.50429	2.0
122.10501	4.3
123.08086	19.1
123.11720	6.8
125.09630	14.7
128.06227	12.9
129.07042	16.0
130.03230	100.0
130.07779	7.0
131.03624	19.6
131.08586	40.2
132.02777	3.9
132.08910	3.5
133.06499	5.5
133.08583	4.8
133.10135	50.7
134.10500	5.2
135.08055	14.9
135.11696	18.6
137.09625	12.2
139.11198	7.6
141.07016	8.2
142.07814	23.8
143.08585	38.4
144.09235	7.4
145.06444	4.4
145.10126	66.4
146.10507	8.1
147.08032	7.8
147.11702	15.7
149.09625	17.9
149.13274	7.5
149.69824	2.3
150.09978	2.4
151.07564	2.3
151.11185	3.3
153.07013	5.6
155.08638	14.2
155.10646	6.0
156.09349	19.5
157.10149	46.6
158.10658	7.7
159.08052	16.2
159.11713	43.1
160.08754	2.6
160.12042	4.8
161.09583	12.4
161.13281	8.5
163.11180	9.4
165.07022	8.0
165.09152	5.5
166.07724	2.4
167.08598	10.6
167.10677	46.6
168.09309	8.7
169.10124	22.0
170.10861	8.7
171.11696	33.9
172.08844	2.7
172.12126	7.4
173.09645	4.2
173.13272	29.2
174.13580	4.4
175.11226	10.6
175.14767	10.8
177.12727	2.6
177.68420	2.8
178.03572	15.1
179.03712	4.0
179.08528	8.3
180.09311	5.2
181.10123	14.2
181.12213	3.9
182.10867	8.0
183.11716	25.4
184.12349	6.6
185.09486	2.5
185.13248	16.5
186.13770	3.6
187.11168	9.1
187.14813	12.6
189.12727	4.5
191.08566	2.5
191.14261	4.6
193.10092	13.4
194.10847	8.3
195.11656	23.9
196.12282	7.2
197.13284	22.1
198.13852	5.4
199.11125	5.1
199.14842	11.0
201.12755	6.6
201.16406	5.9
203.14346	6.7
205.10135	2.9
206.10919	7.9
207.11681	14.0
207.13649	4.5
208.12323	7.5
209.13268	20.5
210.13925	6.5
211.11166	3.0
211.14851	15.1
212.15311	4.0
213.12759	6.7
213.16417	4.3
215.14328	7.9
219.11723	4.3
220.12416	4.4
221.13243	13.4
221.15388	19.0
222.13828	4.9
223.14815	16.6
224.15273	4.6
225.12752	4.2
225.16391	6.5
227.14389	4.0
227.17790	2.6
229.15967	2.4
231.11574	3.7
231.17444	2.7
233.13242	6.6
233.15379	29.9
234.15984	4.6
235.14801	8.0
237.12839	3.2
237.16454	6.8
239.14134	3.0
239.17958	3.8
241.15918	3.1
245.13214	3.8
246.13820	4.0
247.14810	4.8
248.15363	2.6
249.16411	5.4
250.16913	2.6
251.17888	3.8
253.15938	3.7
255.17427	5.9
256.17813	5.4
257.19028	3.7
259.14667	4.6
260.15771	3.9
261.16278	5.8
263.17883	4.8
265.19476	5.3
267.17368	2.7
269.18878	7.9
273.16272	3.1
275.17844	3.3
277.19427	2.9
279.17700	2.8
279.21024	3.5
281.19104	2.9
283.20572	4.1
285.18600	2.9
287.20239	3.9
289.19666	2.7
291.21039	2.9
293.19019	3.0
295.20651	5.9
297.22180	2.8
299.20129	4.5
317.22479	3.0
321.22089	3.1
331.24173	2.6
484.01389	2.3
536.96826	2.6
565.40094	2.6
583.41418	7.1
601.42426	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	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47414	6.3
55.01875	7.1
55.05500	22.6
57.07073	14.9
62.95264	5.1
67.05515	34.1
69.03401	10.5
69.07065	23.0
71.41719	8.9
79.05499	33.4
81.07053	46.7
83.04977	11.8
83.08598	23.8
84.91709	5.7
89.06032	9.6
91.05470	42.7
93.07050	49.8
95.05008	11.8
95.08628	40.8
97.06542	9.5
105.07036	51.4
107.08582	33.0
109.06502	17.4
109.10164	21.2
117.07019	17.2
119.08578	61.3
121.06514	12.0
121.10170	29.5
122.10469	6.7
123.08055	19.9
129.06966	10.8
131.08569	18.1
133.06509	7.1
133.10136	27.0
135.08064	14.0
135.11679	13.4
137.09601	12.6
142.07722	7.7
143.08566	22.0
145.10136	26.3
147.08037	26.9
147.11667	7.4
149.09634	13.5
151.07445	8.4
157.10094	20.3
159.11699	28.3
161.09494	7.5
161.13249	8.8
163.11186	7.6
165.09113	42.6
169.10071	9.5
171.11696	14.2
173.13249	12.5
175.11157	9.4
175.14813	6.3
181.12125	14.2
183.11649	7.0
187.14793	11.2
196.12296	5.8
197.13268	7.0
203.14363	17.5
209.13326	11.3
213.16579	6.6
217.98610	5.8
221.13353	12.3
221.15375	100.0
222.15759	16.8
235.14610	7.6
247.16899	11.5
273.18469	10.2
287.19910	8.1
311.25873	13.7
313.21323	7.8
323.31958	9.5
443.43466	7.2
491.35120	13.3
521.36060	11.4
583.42133	10.1
601.42969	53.1
601.55353	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01862	3.6
55.05513	27.7
57.03430	6.6
57.07077	10.4
64.79581	2.0
65.03944	2.5
65.91867	2.1
67.05167	3.6
67.05508	60.9
69.07065	37.4
69.25276	23.6
71.04982	15.3
71.08633	5.7
72.53085	2.2
79.05494	20.8
81.07056	80.7
83.04977	2.9
83.08626	25.7
85.06522	7.1
89.06024	11.3
91.05472	14.4
93.07036	20.6
95.04973	3.6
95.08602	29.8
97.06539	5.1
97.10173	16.1
98.20953	11.0
99.94601	2.2
105.07024	13.4
107.08591	14.6
109.10146	15.2
111.11726	5.2
117.06966	3.3
117.18576	2.0
119.08562	4.1
119.67229	2.5
121.10104	12.6
123.11728	12.9
123.12454	2.2
131.08601	4.1
133.08612	5.4
133.10098	13.2
135.11688	10.5
143.08466	2.2
148.95905	2.2
149.13287	6.4
151.11163	4.6
151.14914	2.9
159.11679	3.3
177.11304	3.2
177.12759	3.5
187.13275	3.5
237.22076	3.3
247.24252	3.0
273.18555	2.8
291.19595	11.6
301.20084	14.2
325.81613	2.4
339.28922	33.8
370.53571	2.6
507.40430	100.0
521.41870	6.5
533.41772	6.1
565.44525	39.3
601.44525	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	600.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
53.25953	1.2
55.01873	2.4
55.05509	9.8
57.07079	9.0
59.04989	4.0
63.13681	1.4
65.03940	2.0
67.05508	18.7
68.05840	1.6
69.03426	6.1
69.07066	8.0
69.40700	1.4
69.40991	12.5
70.07397	1.3
74.41180	1.2
79.05496	20.0
80.05822	1.6
81.03389	2.1
81.07065	22.4
83.04974	5.7
83.08612	2.8
85.06547	6.0
89.06029	5.5
91.05486	32.9
92.05776	1.9
92.06279	2.5
93.07044	37.5
94.07359	2.4
95.04962	10.8
95.08605	25.0
96.08934	1.8
97.06532	6.1
97.10166	1.6
103.05486	3.4
105.07030	52.2
106.07300	2.4
107.04987	2.0
107.08603	26.6
108.08890	2.2
109.06524	13.9
109.10152	9.0
111.08109	2.3
115.05472	4.5
117.07021	11.5
119.08584	61.2
121.06496	7.9
121.10145	23.0
123.08070	17.8
125.06002	10.7
128.06229	5.0
129.06961	12.4
130.07753	3.1
131.08569	27.9
132.09341	2.6
133.06505	4.8
133.08595	3.5
133.10129	24.9
135.08054	18.4
135.11674	6.2
137.05959	1.9
137.09619	13.8
139.07552	1.6
141.07002	5.0
142.07755	8.4
143.08572	24.4
144.09293	5.4
145.06471	3.4
145.10126	42.8
146.10503	2.8
147.08046	31.0
147.11702	9.2
148.08662	1.6
149.09619	15.1
149.13242	1.4
151.07553	12.8
151.43958	1.3
154.07808	1.5
155.08557	12.0
156.09363	7.5
157.06561	2.0
157.10127	35.1
158.10931	8.4
159.08066	7.6
159.11684	24.6
160.08807	3.5
160.12343	1.7
161.09616	13.8
161.13332	6.5
163.11191	22.3
165.07025	2.8
165.09119	48.2
166.09442	2.6
167.08597	4.7
168.09230	3.6
169.10112	12.9
170.10841	7.4
171.08089	2.5
171.11688	21.1
172.12425	4.6
173.09641	10.5
173.13243	9.9
175.11192	21.3
175.14819	3.6
175.87300	1.4
177.09135	3.4
177.12782	2.6
178.09843	2.5
179.08527	2.3
179.10660	2.5
180.09366	2.5
180.11433	3.0
180.40663	1.3
181.10165	6.0
181.12244	17.9
182.10936	5.0
183.11705	15.5
184.12263	2.8
185.09688	3.8
185.13234	11.7
186.13823	1.9
187.11208	5.8
187.14845	3.0
189.12778	10.4
190.13565	8.2
191.10670	5.4
191.14377	1.8
192.11145	2.1
193.10313	3.4
193.12257	14.4
194.10875	2.9
195.11705	12.8
195.13570	2.2
196.12448	5.0
197.09518	1.8
197.13245	13.5
199.11215	4.8
199.14819	3.8
200.11865	1.6
201.12744	7.5
201.16396	2.6
203.14319	23.4
204.14699	2.4
205.10242	2.0
205.12209	2.0
207.11745	5.1
207.13820	9.5
208.12589	2.8
208.14586	9.8
209.13290	10.3
209.15222	2.9
210.14018	2.6
211.11209	3.1
211.14780	8.2
212.15324	1.8
213.12773	5.2
215.14336	3.5
217.12421	1.6
219.11812	2.8
219.13815	8.4
220.12421	2.2
221.13353	4.5
221.15356	100.0
222.14038	1.5
222.15744	12.4
223.11206	3.9
223.14850	5.1
225.12711	4.3
225.16405	5.0
227.14401	3.3
229.15923	2.4
231.11636	1.5
231.13818	2.7
232.12112	1.6
233.13258	3.5
233.15234	2.9
234.13937	1.4
234.16145	23.3
235.14853	3.5
237.12758	4.1
237.16380	2.7
239.14278	3.4
239.17969	2.6
241.12177	1.4
241.15816	2.8
243.13890	2.1
245.13226	2.2
245.15434	1.8
247.16927	31.8
248.17599	4.0
251.14275	3.2
253.15881	2.7
255.17361	2.2
259.16995	5.0
260.17783	2.8
263.17914	2.7
267.17474	3.0
269.15503	2.2
271.16986	3.4
274.19238	14.0
275.20212	1.9
279.17468	1.9
281.19037	3.2
283.17044	1.7
285.18597	2.3
286.19266	3.3
287.20041	13.0
297.18439	3.6
299.20111	14.0
300.20883	4.6
309.18448	2.6
310.19205	2.1
311.20001	4.8
312.20792	7.9
313.21622	8.1
319.20670	1.5
325.21613	16.0
327.23251	2.5
337.21439	2.3
339.23224	6.0
340.23999	16.9
351.23267	2.1
352.23987	28.6
353.24487	2.9
365.24738	6.9
366.25510	3.5
377.24979	2.0
379.26065	2.0
387.25470	3.3
391.26315	4.3
392.26886	3.9
400.26260	3.2
413.26813	4.2
419.29562	10.5
420.30396	2.7
425.26764	8.6
426.27509	4.8
427.28552	13.3
428.29190	2.3
440.29190	44.3
442.30948	2.4
454.30627	2.4
481.33133	1.9
505.33136	2.2
507.34561	3.6
508.35397	5.7
520.35516	33.8
521.35925	2.0
543.51904	1.5
582.41510	5.8
585.39313	3.9
600.41675	40.3
601.42664	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.05509	10.9
57.07066	19.2
67.05499	33.3
69.03422	9.6
69.07068	21.5
70.06595	7.5
71.19019	8.1
75.62370	3.9
79.05490	26.9
81.07059	44.1
83.04984	11.2
83.08615	6.6
89.06018	13.0
91.05466	33.0
91.51585	4.2
93.02541	4.1
93.07050	39.3
94.07364	6.5
95.04967	13.2
95.08613	29.8
95.63978	4.7
97.06522	8.5
105.07027	55.4
107.08597	31.2
108.43193	5.1
109.06503	14.9
109.10160	14.1
111.08106	5.1
112.64063	4.3
117.07034	12.9
119.08595	55.0
121.06512	11.1
121.10147	27.0
123.04453	11.2
123.08076	18.9
125.05983	8.5
128.06239	6.1
129.07033	8.1
131.08586	23.0
133.06566	6.2
133.08586	11.2
133.10138	34.5
135.08051	18.1
135.11710	8.5
137.09610	13.8
141.07013	5.1
142.07779	10.0
143.08553	18.2
145.06546	5.9
145.10133	41.0
147.08046	39.0
147.11662	9.1
149.09621	19.9
151.07578	9.5
155.08554	8.2
156.09340	13.0
157.10114	28.7
158.10808	8.6
159.08078	9.5
159.11714	24.8
161.09625	8.4
161.13251	8.0
163.11171	12.4
165.09096	48.9
166.09438	5.5
167.08577	7.7
169.10127	13.0
170.10667	7.9
171.11697	13.8
173.09586	6.8
173.13278	8.2
175.11186	20.0
181.10049	5.1
181.12225	10.0
183.11752	14.1
185.13240	10.2
189.16492	5.2
190.13490	8.0
191.10663	5.2
193.12234	14.8
195.11800	5.7
196.12555	4.7
197.13232	14.2
201.12755	5.8
203.14331	21.5
207.11900	6.9
207.13835	12.3
207.37445	5.4
208.14566	9.2
209.13390	7.1
219.13838	9.4
221.13284	5.8
221.15366	100.0
222.15601	21.2
227.14349	4.8
234.16162	16.7
247.16975	26.2
259.17032	6.7
274.19193	10.4
283.26227	22.3
287.20068	9.9
299.20035	9.6
300.29062	6.2
312.20923	7.3
313.21564	7.3
325.21747	14.6
340.23984	14.5
344.31467	5.0
352.23947	18.9
353.24625	4.7
387.25375	5.5
392.26584	7.9
419.29517	8.1
425.26746	9.7
427.28351	17.9
440.29184	41.8
508.35309	7.7
520.35376	26.5
600.41711	42.9
600.56049	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.05504	4.6
57.07081	11.6
59.04984	2.9
67.05505	12.3
69.03413	6.0
69.07066	4.5
69.75214	12.7
79.05506	11.3
81.07050	19.8
83.04977	5.4
83.08679	2.1
85.06535	5.6
89.06026	3.2
91.05481	28.9
93.07047	31.4
95.04971	8.2
95.08598	21.1
97.06544	5.0
105.07028	42.7
106.07385	2.5
107.08586	23.3
109.06521	7.8
109.10154	5.5
117.07045	13.7
119.08590	48.9
121.06462	6.2
121.10139	20.4
123.08070	17.1
125.05985	8.7
128.06209	4.9
129.07005	10.4
130.07771	2.4
131.08583	21.0
133.06494	5.6
133.10132	21.6
134.10918	3.2
135.08064	14.2
135.11661	5.4
137.06013	3.0
137.09612	10.7
141.07002	6.6
142.07841	11.0
142.61783	2.3
143.08565	21.2
144.09355	3.5
145.10132	31.8
147.08055	26.7
147.11656	8.1
149.09581	9.6
151.07538	13.8
151.11203	3.0
155.08606	10.5
156.09332	9.3
157.08167	2.1
157.10132	31.1
158.10829	3.6
159.08022	5.4
159.11705	17.2
161.09587	9.4
161.13222	5.6
163.11201	14.7
165.09137	48.6
166.09447	5.2
167.08604	5.8
168.09383	3.3
169.10156	11.9
170.10883	6.9
171.11697	16.5
172.12511	3.1
173.09630	7.3
173.13280	8.1
175.11179	17.5
177.09064	2.5
177.12747	3.2
179.08524	4.5
180.09312	2.5
180.11394	2.5
181.10057	5.2
181.12270	14.6
182.10921	5.1
183.11719	12.5
184.12462	2.4
185.09628	2.0
185.13271	9.6
187.11240	4.6
187.14813	2.6
189.12782	7.5
190.13548	6.7
191.10661	4.5
193.10092	4.8
193.12241	8.4
194.10818	3.0
195.11713	7.8
196.12527	3.0
197.09549	2.3
197.13208	8.1
199.11198	5.8
199.14844	3.6
201.12672	3.9
203.14343	19.3
207.11719	6.5
207.13823	7.0
208.12555	3.5
208.14574	5.6
209.13300	9.2
210.14099	2.9
211.11128	5.7
211.14780	6.0
213.12657	3.6
215.14296	3.1
219.11827	2.8
219.13789	5.2
221.13409	6.0
221.15359	100.0
222.15747	11.0
223.14795	2.9
224.04224	2.4
225.12813	2.7
225.16371	3.9
227.14351	3.1
233.13220	3.5
234.16084	15.8
237.12766	6.3
237.16533	3.4
241.16098	3.2
245.15436	3.3
247.16920	25.3
248.17499	2.6
251.14302	3.5
253.15958	4.2
259.17059	3.6
261.18488	2.3
271.16998	3.3
274.19302	11.4
279.17645	2.2
281.19067	3.1
286.19351	5.0
287.20175	11.6
299.20096	18.1
311.20004	6.2
312.20810	7.6
313.21472	4.1
325.21671	9.4
326.22244	3.7
337.21881	3.8
339.23245	4.8
340.24048	14.3
352.23984	27.7
365.24759	6.4
366.25510	2.9
387.25421	4.4
391.26379	4.3
392.27029	4.9
413.26700	4.4
419.29590	6.0
420.29984	3.2
425.26828	4.9
426.27463	2.8
427.28381	14.6
428.29224	3.1
440.29141	31.1
442.30762	2.9
454.30630	2.8
507.34763	4.4
508.35300	7.4
520.35529	31.2
521.36005	4.0
568.98853	2.1
582.40027	2.9
585.39105	3.3
600.41473	35.2
601.41650	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.2
53.03936	3.8
53.53047	1.9
55.05509	14.0
57.07080	34.9
59.05000	2.0
65.03942	2.8
67.05505	24.5
69.03429	7.5
69.07064	16.7
70.72309	5.1
70.99599	2.7
71.04995	3.2
71.08632	25.9
73.06552	7.1
79.05491	21.5
81.07053	27.0
83.04989	9.3
83.08620	11.3
85.06553	5.3
85.10177	19.1
87.04466	9.3
89.06034	100.0
91.05482	35.6
93.07044	39.4
95.04980	15.4
95.08611	18.7
97.06533	8.6
97.10171	6.9
98.21276	2.4
99.11758	2.1
103.05434	3.9
105.07037	54.4
107.07043	2.8
107.08595	35.2
108.08909	2.8
109.06509	10.3
109.10155	17.9
111.08078	6.3
111.11749	2.2
113.05987	1.8
113.09679	2.1
113.13243	3.1
115.05443	4.3
117.07030	11.8
117.09127	4.8
119.08579	46.2
120.08898	2.2
121.06525	7.9
121.10142	31.6
123.08090	17.7
123.11705	4.0
125.09625	7.2
128.06236	9.2
129.07005	15.1
130.03255	14.5
130.07802	4.6
131.08574	30.0
132.08905	1.8
133.06511	4.6
133.08604	55.9
133.10112	29.0
135.08051	10.0
135.11676	10.1
137.09637	8.5
139.11188	4.2
141.06975	6.9
142.07790	17.3
143.08577	26.4
144.09319	6.2
144.38812	1.8
145.06488	4.1
145.10133	35.8
146.10716	2.5
147.08046	7.8
147.11719	14.4
149.09641	9.9
151.07516	4.1
153.06989	4.2
154.07791	3.6
155.08588	9.9
155.10605	4.4
156.09361	12.8
157.10123	37.8
158.10880	6.0
159.08054	9.1
159.11700	26.7
160.08818	2.2
161.09642	10.1
161.13237	5.7
163.11218	4.7
164.12050	1.9
165.06981	5.3
165.09108	5.2
166.07788	2.4
167.08588	7.7
167.10684	15.7
168.09326	3.6
169.10127	19.5
169.19499	5.3
170.10857	9.1
171.11700	23.4
172.12274	3.0
173.09673	5.4
173.13255	12.8
175.11217	9.2
175.14877	5.5
177.11235	23.0
177.12677	3.2
179.01749	1.8
179.08557	6.0
180.09355	3.7
181.10149	14.1
181.12222	5.5
182.10924	7.1
183.11710	14.9
184.12393	3.5
185.09636	3.3
185.13283	16.3
187.11159	5.3
187.14830	5.7
189.12712	5.5
191.14357	3.0
192.09358	2.3
193.10138	9.6
193.11934	2.2
194.10864	6.8
195.11679	15.5
196.12399	5.3
197.13257	14.7
198.13788	2.6
199.11203	4.2
199.14853	7.2
201.12849	3.0
201.16521	2.4
203.14342	7.0
206.10864	3.8
207.11676	6.0
207.13745	3.7
208.12439	7.5
209.13292	16.0
210.13876	3.3
211.14842	12.1
213.12726	6.3
213.16269	3.0
215.14363	5.1
217.10217	2.5
217.15944	2.3
219.11752	2.9
219.13814	2.2
220.12413	4.2
221.13486	10.7
221.15425	8.2
222.13927	3.4
223.14806	9.7
225.12714	2.1
225.16373	6.5
227.14351	4.0
231.11707	4.8
232.12222	3.1
233.13246	5.4
233.15387	12.6
234.13695	3.1
234.16022	3.7
235.14771	5.5
236.15385	2.3
237.16422	5.5
239.14471	2.9
239.17969	3.6
245.13152	2.7
246.14035	3.9
247.14682	4.0
247.17026	3.0
249.16408	6.2
251.17836	2.2
253.16086	2.0
253.19518	2.8
255.17377	13.7
257.24820	7.4
259.14743	3.0
261.16354	4.9
263.17926	2.7
264.18628	2.5
265.19559	2.7
269.19092	2.8
270.19763	3.0
273.18661	4.0
275.17734	2.9
281.18976	4.4
283.17426	2.5
283.20459	2.0
285.18552	3.2
287.20230	3.2
289.19513	2.2
295.20740	3.4
299.20001	2.9
301.27444	2.8
365.24936	2.1
383.25723	4.0
415.25333	6.2
582.40796	2.4
583.44183	4.1
600.41168	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.5
55.01857	4.1
55.05514	22.2
57.07089	5.4
59.04990	4.6
65.03926	5.4
67.05219	2.8
67.05512	33.1
69.03426	15.3
69.07072	19.7
70.76666	5.3
71.04983	9.6
77.03925	3.0
79.05499	39.0
81.07059	42.6
83.04979	22.0
83.08620	11.2
85.06568	11.5
86.13953	2.2
91.05486	64.9
92.05785	2.4
93.07048	69.0
95.04976	28.6
95.08612	33.1
97.06549	15.4
98.21290	2.7
103.05479	3.5
105.04552	3.6
105.07034	100.0
107.04964	5.2
107.08596	64.3
109.06538	17.5
109.10169	32.3
111.08079	5.6
112.49016	2.3
113.05968	2.3
113.09650	5.6
115.05462	6.7
116.06241	2.8
117.07030	28.6
119.08588	87.2
121.06505	15.1
121.10147	58.0
123.08068	33.8
123.11736	5.2
125.09636	14.9
128.06213	22.6
129.07004	24.4
130.07776	10.7
131.08575	50.5
132.09326	3.1
133.06505	6.3
133.10139	57.5
135.08043	17.8
135.11685	16.2
137.09619	11.9
139.11183	5.8
141.06967	16.6
142.07773	34.6
143.08566	56.6
144.09319	16.7
145.06468	5.9
145.10126	78.8
146.10887	4.1
147.08060	21.8
147.11673	24.0
148.08765	2.5
149.09595	19.3
149.13248	4.6
151.07542	9.4
151.11171	2.6
153.06982	9.4
155.08578	20.4
155.10667	10.4
156.09360	26.0
157.08934	4.7
157.10136	76.1
158.10941	14.0
159.08060	23.2
159.11694	48.4
160.08812	7.4
161.09636	22.1
161.13264	11.0
163.11206	14.1
165.07010	15.5
165.09105	14.1
166.07788	4.1
167.08574	14.1
167.10690	19.0
168.09332	8.0
169.10121	30.5
170.10910	14.4
171.08044	2.5
171.10242	3.7
171.11693	50.7
172.12386	3.4
173.09625	14.9
173.13266	20.5
174.10406	3.8
175.11201	19.7
175.14806	8.5
177.12805	3.7
178.07806	3.7
179.08556	16.6
179.10805	2.7
180.09340	9.7
181.10101	24.7
181.12230	6.1
182.11012	11.9
183.08064	2.6
183.11690	44.4
184.12474	6.6
185.09584	6.7
185.13278	31.4
186.10378	4.4
186.14012	6.4
187.11211	9.0
187.14836	7.9
189.12770	13.2
190.13524	5.9
191.08582	4.4
191.14317	8.8
192.09348	8.8
193.10138	23.3
193.12082	5.5
194.10884	13.5
195.11713	35.7
196.08945	2.5
196.12508	13.3
197.13246	35.8
198.14001	4.5
199.11119	7.0
199.14804	17.1
201.12770	9.6
201.16277	3.3
203.14333	15.6
204.09288	2.3
205.10046	7.4
206.10886	9.5
207.11700	23.1
207.13834	9.0
208.12552	13.6
208.14369	4.2
209.09735	2.3
209.13283	29.6
209.15147	3.1
210.13980	7.1
211.11203	8.0
211.14783	24.5
213.12857	11.3
213.16394	11.4
214.82587	2.6
215.14322	7.1
217.10078	4.6
217.15895	4.7
218.16670	4.8
219.11636	9.8
219.13716	5.2
220.12578	4.9
221.13251	17.1
221.15399	35.9
222.13937	3.7
223.14799	24.1
225.12717	7.3
225.16402	9.6
227.14334	6.5
229.15929	6.2
229.69980	2.6
231.11693	5.8
232.12428	4.6
233.13211	9.0
233.15390	28.6
234.13953	3.1
234.16064	8.8
235.14806	12.3
237.12782	5.1
237.16557	16.5
239.14381	5.6
239.18034	5.0
241.15784	8.8
243.17488	2.7
244.12495	2.4
245.13277	7.5
245.15508	2.9
246.13976	4.4
246.16225	2.8
247.14842	10.0
247.17062	4.1
248.15620	4.1
249.16368	9.6
250.13451	3.0
251.14220	3.7
251.17967	6.1
253.15894	6.5
254.16948	2.6
255.17459	38.2
259.14780	5.8
260.15460	4.0
261.16367	9.7
263.17889	8.2
265.15823	3.3
265.19473	7.3
267.17450	4.1
269.18997	9.6
270.19696	7.1
271.17102	3.2
273.16229	3.9
273.18777	5.4
275.17780	3.8
277.19525	3.4
279.17551	2.9
279.20752	2.7
281.19034	9.9
282.19632	4.1
283.20514	5.8
285.18704	4.4
286.19296	5.2
287.20163	5.9
289.19641	2.9
293.19092	2.3
294.19882	3.4
295.20456	3.7
299.20032	8.4
303.19653	4.4
309.22241	3.3
311.20102	3.1
312.20917	4.5
313.21530	5.1
325.21548	5.4
329.22668	3.8
333.22064	2.7
334.22357	3.3
347.23560	5.2
349.25348	3.7
352.24023	10.1
360.24384	3.3
365.25150	11.0
383.25778	8.4
457.31021	3.2
508.34839	3.7
520.35236	4.4
542.64117	2.6
567.38538	4.3
600.41522	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.9
55.05507	22.1
57.07069	11.5
59.04990	4.3
62.83427	3.5
65.03946	9.8
67.05507	31.4
69.03432	13.0
69.07088	22.5
69.29235	4.7
69.29637	29.8
71.05003	8.1
72.27750	3.8
76.59067	3.6
79.05495	36.4
81.03415	6.1
81.07058	50.3
83.04984	23.6
83.08610	15.7
85.06529	7.5
91.05481	61.6
93.07042	74.1
94.07372	4.2
95.04984	28.3
95.08611	36.3
97.06522	15.1
105.07030	100.0
105.11174	3.4
106.07832	4.5
107.08591	68.5
109.06531	19.4
109.10156	31.5
111.08051	5.6
115.05431	7.0
116.06268	4.9
117.07008	25.4
119.08596	87.4
119.09441	5.3
120.11314	3.7
121.06516	15.0
121.10149	51.6
123.08090	34.0
124.08759	3.3
125.09619	11.5
128.06230	18.7
129.07031	27.5
130.07738	7.7
131.08569	44.9
132.09341	5.0
133.08614	3.6
133.10136	60.5
135.08049	20.7
135.11691	15.7
137.09572	17.0
141.06993	9.6
142.07814	33.2
143.08577	57.3
144.09338	21.3
145.06416	4.2
145.10139	69.4
147.08072	27.1
147.11688	23.1
149.09622	17.9
151.07535	17.0
155.08592	21.2
155.10687	4.6
156.09349	26.8
157.10141	84.6
158.10861	15.5
159.08080	17.3
159.11711	45.4
160.08801	6.9
160.12267	3.6
161.09619	24.4
161.13234	12.0
163.11182	16.9
165.07027	5.8
165.09105	43.4
167.08543	9.5
167.10724	19.5
168.09386	7.6
168.10953	3.8
169.10159	31.8
170.10950	17.5
171.11700	47.2
172.12466	8.7
173.09666	19.4
173.13261	18.1
175.11208	25.5
175.14946	5.6
179.08514	11.0
180.09261	5.3
181.10130	21.0
181.12257	7.7
182.10802	11.4
183.11687	30.7
184.12383	6.0
185.09714	6.9
185.13312	25.5
186.10487	4.6
187.11194	13.7
187.14804	6.5
189.12709	17.3
190.13432	7.7
191.14369	5.3
192.09340	8.6
192.11290	4.6
193.10155	16.5
193.12105	8.3
194.10901	13.1
195.11728	33.8
195.13504	6.7
196.12524	8.4
197.09608	4.1
197.13191	34.3
198.13840	3.4
199.11238	7.8
199.14867	8.2
201.12753	7.2
201.16461	4.4
203.14362	26.7
205.10233	5.5
206.10890	5.8
207.11705	21.8
207.13831	11.1
208.12517	7.7
208.14447	5.3
209.13351	24.5
210.13890	4.8
211.11296	5.9
211.14815	15.2
213.12656	7.4
214.13512	5.7
215.10565	4.8
215.14310	8.4
219.11734	8.2
219.13794	9.0
220.12387	7.2
221.13242	11.7
221.15355	80.2
222.13972	5.3
222.15877	5.6
223.11125	3.8
223.14842	14.9
225.12689	10.3
225.16364	11.5
231.11574	4.2
232.12424	4.9
233.13362	7.0
233.15373	24.7
234.14047	7.5
234.16063	9.0
235.14871	11.3
236.15527	6.5
237.12685	7.6
237.14836	22.7
241.15773	4.6
245.13231	6.5
247.14810	7.9
247.16974	7.8
248.13809	4.3
249.16348	7.8
251.18102	5.3
253.15720	6.2
255.17447	22.2
259.14767	4.9
261.16443	6.8
265.19525	5.9
269.19028	7.9
270.19754	6.0
271.16919	5.2
273.18643	6.3
274.19275	11.5
277.19592	5.1
280.17822	4.2
281.18951	6.6
286.19315	9.5
287.20163	6.1
294.19885	6.3
295.20663	5.9
297.18570	5.0
299.20084	10.4
300.20764	5.5
303.19565	34.7
310.19217	4.3
313.21573	10.7
325.21497	10.1
337.21625	4.6
341.68219	3.7
352.23950	65.5
363.63885	3.7
365.24567	15.0
377.24710	5.9
383.25705	7.1
502.34393	7.3
503.35101	7.1
505.32870	6.3
507.35236	9.1
508.35098	8.4
520.35632	33.9
583.40967	5.4
585.39398	6.5
600.41742	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75805	2.4
51.92227	2.2
53.03944	8.6
55.01880	4.2
55.05509	13.7
56.42670	2.9
56.62508	2.7
57.03429	2.7
57.07074	12.1
59.05000	4.0
65.03942	4.2
67.05509	30.6
68.05824	2.8
69.03423	15.2
69.07070	15.4
70.06597	17.6
70.77409	4.2
75.15074	2.4
79.05491	33.6
81.03369	2.2
81.07066	40.1
83.04989	18.9
83.08606	8.3
85.06522	7.0
87.80728	2.6
89.06039	4.2
91.05480	57.0
93.07041	77.0
93.60423	2.7
94.07381	4.1
95.04971	24.3
95.08613	33.7
96.08892	2.5
97.06520	15.8
103.05437	5.8
105.04542	2.6
105.07032	100.0
106.07305	4.2
107.04942	3.3
107.08593	60.2
108.08909	3.2
109.06522	19.3
109.10150	17.5
111.08064	4.8
115.05455	7.6
116.06289	5.6
116.07072	24.3
117.07020	22.3
119.08580	85.8
120.09348	2.5
121.06519	16.3
121.10132	51.2
122.07341	2.5
123.08082	34.9
123.11677	5.2
125.05997	3.9
125.09644	11.7
128.06230	17.7
129.07024	26.8
130.07788	9.0
131.07698	3.8
131.08578	44.6
132.09341	3.4
133.06468	9.9
133.10135	53.4
135.08049	25.7
135.11678	15.5
137.09616	20.2
139.07568	3.1
141.06995	10.4
142.07787	36.0
143.08557	43.1
144.09366	12.6
145.06468	5.8
145.10126	69.0
146.10826	2.5
147.08051	30.8
147.11690	16.1
148.08498	2.6
149.09636	23.7
151.07532	16.9
151.11194	2.7
153.06978	2.8
153.09096	3.3
154.07758	3.2
155.08568	17.7
155.77562	2.6
156.09308	22.7
157.10130	69.9
158.10805	10.4
159.08054	21.6
159.11693	41.3
160.08772	3.7
161.09619	19.7
161.13239	9.7
163.11244	17.1
165.06966	7.1
165.09113	49.1
166.07727	2.9
167.08554	11.6
167.10649	12.9
168.09329	6.9
169.10141	33.0
170.10939	12.6
171.11691	38.5
172.12428	10.7
173.09644	17.4
173.13272	21.1
174.10400	2.8
175.11182	24.8
175.14827	5.4
177.09119	3.4
177.12730	7.0
179.08575	11.6
179.10719	6.3
180.09309	8.5
180.11565	2.7
181.10147	19.2
181.12170	12.0
182.10884	7.3
183.11710	31.4
184.12477	5.9
185.09694	5.4
185.13278	21.6
187.11183	9.1
187.14764	5.8
189.12698	14.6
190.13493	10.2
191.10669	3.5
191.14302	8.2
192.09367	6.4
193.10161	11.8
193.12260	10.3
194.10912	7.2
195.11690	27.9
196.12415	8.4
197.09772	5.7
197.11617	5.1
197.13242	24.0
199.11172	9.9
199.14804	10.3
201.12756	8.2
203.14282	29.8
205.10112	4.4
206.10953	4.3
207.11700	12.7
207.13809	18.7
208.12439	9.4
208.14612	7.6
209.13254	23.1
209.15178	5.2
210.13908	4.7
211.11188	6.2
211.14783	16.0
212.15401	4.2
213.12695	7.7
213.16283	3.8
214.13542	3.1
215.10611	3.0
215.14301	9.9
216.14917	2.9
218.16594	2.7
219.11627	8.0
219.13860	7.9
220.12482	4.3
221.13237	13.5
221.15329	83.0
222.13872	4.6
222.15805	5.6
223.11168	5.3
223.14827	11.8
224.15410	2.8
225.12750	12.0
225.16396	9.2
227.14281	6.4
229.15927	5.8
231.11682	6.6
231.13766	4.3
232.12512	5.6
232.14551	3.0
233.13228	6.9
233.15381	24.9
234.14006	3.2
234.16154	10.9
235.14922	12.2
235.16902	4.1
236.15742	3.7
237.12732	5.4
237.14676	27.8
237.16916	3.5
239.14317	6.9
239.17943	3.7
241.15771	3.8
244.12323	3.6
245.13255	5.4
246.13913	4.0
247.14748	7.2
247.16972	9.3
248.13951	14.8
249.16447	7.2
250.15648	4.0
251.14235	5.8
251.18121	5.5
253.15840	5.8
255.17363	25.9
257.15472	3.2
260.15387	3.9
261.12610	4.5
261.16382	9.4
263.17914	4.0
265.15735	2.9
267.17383	5.1
269.18970	5.3
270.19754	7.8
271.17090	4.8
273.16217	4.3
273.18741	4.6
274.19241	10.7
277.15826	3.1
279.17569	7.1
281.18982	7.1
285.18597	6.4
286.19348	13.4
287.20056	11.2
294.19730	7.1
295.20685	4.6
297.18591	3.5
299.20132	10.4
301.19250	2.8
303.19601	40.6
307.20490	4.3
309.18549	3.0
310.19388	3.4
311.20090	5.6
312.20892	4.9
313.21613	15.4
319.20621	7.9
325.21667	13.1
337.21573	9.6
347.23605	2.8
352.23950	88.4
365.24789	15.6
377.24783	6.8
378.25491	3.8
383.25967	5.2
391.26154	3.6
399.26089	3.2
454.30206	3.2
487.31735	3.6
502.34238	9.7
503.35147	7.6
505.33362	4.3
507.34729	12.8
508.34998	10.3
520.35431	39.1
582.40485	4.7
583.42511	3.3
600.41553	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.6
55.01871	4.2
55.05284	3.4
55.05514	29.1
57.03490	3.2
57.07078	46.3
60.53771	2.3
65.03927	5.5
67.05507	39.1
68.05849	2.7
69.03432	9.6
69.07077	25.2
69.69108	13.0
71.04977	4.3
71.08635	31.2
73.06571	4.4
73.14922	2.3
77.03928	2.8
78.87040	2.6
79.05495	42.3
80.05838	4.1
81.03417	3.2
81.07057	51.0
82.07384	3.0
83.04975	17.8
83.08630	23.4
85.06548	6.3
85.10181	26.3
87.04487	5.4
89.06036	74.6
91.05486	59.1
92.05784	3.2
93.07050	71.7
94.07381	3.2
95.04974	16.7
95.08606	47.1
96.08947	2.5
97.06537	14.6
97.10162	4.4
98.21245	7.0
99.11739	4.4
103.05507	3.0
105.07033	78.5
107.04971	6.2
107.07093	2.3
107.08602	68.0
108.08958	3.6
109.06515	14.3
109.10157	30.1
111.08086	4.6
111.11726	7.0
113.06039	2.7
113.09629	2.8
115.05481	7.4
116.07119	5.0
117.07044	23.3
117.09137	6.5
119.04957	3.4
119.08585	100.0
121.06544	11.4
121.10154	76.3
122.10501	5.3
123.08088	9.4
123.11748	12.1
125.09615	11.7
128.06248	14.5
129.06996	19.4
130.07834	6.9
131.08574	49.1
133.06511	5.0
133.08626	41.9
133.10127	51.6
133.11072	3.9
134.10466	3.9
135.08087	12.4
135.11697	18.3
137.09625	8.3
139.11174	7.7
141.06999	9.5
142.07800	20.1
143.08583	40.5
144.09315	9.0
145.06537	5.2
145.10126	70.5
146.10506	3.1
147.08058	9.0
147.11745	23.0
149.09647	19.5
149.13275	6.6
150.09900	3.2
151.07603	5.6
151.11189	4.1
153.06993	5.6
154.07787	3.3
155.08543	19.1
155.10622	5.7
156.09372	13.5
157.10133	57.4
158.07292	3.9
158.10809	10.2
159.08096	11.5
159.11684	36.5
161.09621	10.3
161.13284	8.3
163.11226	7.2
165.07082	4.8
165.09120	4.9
166.07774	3.0
167.08623	11.5
167.10690	55.8
168.09355	4.9
168.10988	5.0
169.10146	25.0
169.19574	3.5
170.10857	9.5
171.08029	3.4
171.11725	34.0
172.12367	4.3
173.09637	8.5
173.13272	24.6
175.11217	9.2
175.14851	22.9
177.11244	18.9
177.12691	4.3
179.08476	11.0
180.09291	5.0
181.10104	20.0
181.12265	7.5
182.10916	9.4
183.11705	26.6
184.12329	3.3
185.09692	3.9
185.13277	14.4
187.11156	2.8
187.14827	20.1
189.12822	5.7
191.14330	5.4
192.09363	3.4
193.10106	11.3
194.10887	10.6
195.11703	20.7
195.13297	2.8
196.12422	7.9
197.13242	20.1
198.13969	3.1
199.11311	2.9
199.14859	8.7
201.12741	3.8
201.16391	6.9
203.14331	2.7
205.10085	3.8
206.10858	4.4
207.11690	11.4
207.13644	4.5
208.12347	4.0
209.13257	24.4
210.13861	8.7
211.11076	3.4
211.14812	10.1
212.15425	2.2
213.12740	3.0
213.16324	2.5
215.14334	3.4
217.15889	4.5
218.10846	3.0
219.11754	7.4
219.13835	5.4
220.12364	5.8
221.13350	14.4
221.15378	5.8
222.13943	3.7
223.14893	16.2
225.12762	3.8
225.16371	7.4
227.14407	4.6
231.11650	2.9
231.17458	3.3
232.12616	2.7
233.13148	7.6
233.15431	9.9
234.15987	7.0
235.14711	4.4
236.15399	3.4
237.16408	5.6
239.14417	2.7
239.17963	4.6
241.15883	4.3
241.19595	3.4
247.14777	4.5
247.16982	2.5
249.16376	4.3
251.18033	4.8
253.19409	3.2
255.17419	7.7
257.24777	5.0
259.14789	4.1
260.15332	3.2
261.16095	2.9
263.17911	5.9
264.18585	3.6
265.19559	5.2
269.19037	2.7
273.16116	2.8
275.17862	3.6
277.19635	3.4
279.21182	2.7
281.19064	3.1
282.19800	2.6
283.20505	2.8
285.22189	3.2
289.19443	3.1
297.22043	3.9
300.20825	3.0
363.26834	12.4
365.24969	3.5
415.25488	7.6
447.32666	3.3
465.33771	5.0
539.38940	4.2
557.40033	7.0
582.40985	9.5
583.44043	6.3
600.41461	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86854	0.3
51.02385	0.3
53.03934	1.2
53.22829	0.3
55.01868	2.1
55.05266	0.3
55.05509	3.9
57.03421	0.5
57.07072	1.9
58.80842	0.2
58.99558	0.3
59.04989	0.7
65.03933	0.8
67.05168	0.6
67.05507	7.7
68.05033	1.4
69.03129	0.3
69.03435	4.0
69.05803	0.5
69.07065	3.5
69.66948	1.1
69.67356	0.7
70.06570	0.3
70.99579	12.6
71.04983	1.1
71.08626	0.8
71.94636	0.3
79.05494	7.3
81.03423	3.5
81.07056	8.9
82.06550	0.5
82.95771	0.3
83.04984	3.0
83.08614	3.1
85.01132	4.2
85.02905	1.1
85.06535	1.2
85.10177	0.4
87.02698	4.7
87.04479	0.8
89.06036	5.9
91.04893	0.3
91.05479	10.1
93.07045	11.5
94.07363	0.4
95.04962	3.8
95.08604	8.0
96.04487	3.1
97.02888	1.5
97.06534	2.2
97.10165	0.8
98.06009	0.3
99.04435	0.7
99.08047	0.4
101.04234	0.4
103.05466	0.7
105.07033	12.3
105.98994	0.3
107.04955	0.8
107.08595	9.6
108.08914	0.3
109.02879	0.8
109.06517	2.4
109.10145	4.7
109.33675	0.3
111.04432	0.3
111.08071	1.1
111.11668	0.3
112.02198	0.5
113.09648	1.0
113.86793	0.3
114.03731	0.4
115.05464	0.7
116.06213	0.5
117.07028	3.4
119.08575	12.0
121.06516	1.8
121.10142	8.0
123.08065	3.6
123.11710	1.5
125.06009	0.4
125.09636	1.8
127.03929	0.8
128.06233	2.0
129.07005	3.6
130.03224	100.0
130.07738	1.5
131.03516	0.3
131.08572	7.6
133.06483	0.5
133.08607	4.1
133.10124	7.3
135.08060	2.3
135.11685	2.9
137.09616	1.5
139.11208	1.1
141.06981	1.4
142.07787	3.7
143.08562	6.3
144.09348	2.0
145.06468	0.8
145.10120	9.7
145.11275	0.5
146.10748	0.4
147.08087	1.9
147.11665	2.8
149.09641	2.5
149.13272	0.6
151.07529	0.9
151.11153	0.6
153.07010	1.0
153.09105	0.4
154.07762	0.7
155.08571	3.1
155.10692	1.2
156.09338	3.2
157.06479	0.3
157.10130	8.6
158.07288	0.3
158.10800	1.0
159.08047	2.8
159.11687	6.3
160.08742	0.7
160.12245	0.4
161.09633	2.2
161.13239	1.6
161.51939	0.3
163.11197	1.7
163.14787	0.5
165.07005	1.1
165.09087	1.5
166.07800	0.3
167.08597	1.9
167.10666	2.4
168.09367	1.0
169.10130	4.6
170.10890	1.9
171.07983	0.5
171.11690	6.1
172.08823	0.4
172.12433	0.9
173.09648	1.4
173.13243	3.6
174.10324	0.3
174.13809	0.3
175.11194	2.3
175.14841	0.9
177.09099	0.4
177.11205	1.2
177.12691	0.6
178.03551	16.8
179.08543	2.4
180.09306	1.3
181.10106	2.9
181.12254	0.7
182.10887	1.3
183.11658	3.9
183.12933	0.3
184.12398	0.6
185.09541	0.5
185.13266	3.1
186.10364	0.3
186.14034	0.4
187.11197	1.0
187.14827	1.2
189.12775	1.5
190.13634	0.4
191.14417	0.9
192.09369	0.4
193.10141	2.2
193.12019	0.5
194.10925	1.5
195.11685	3.6
196.12463	1.1
197.09610	0.5
197.13261	3.8
198.13899	0.4
199.11246	1.0
199.14757	1.8
201.12761	0.8
202.13287	0.4
203.14287	1.9
205.10201	0.8
206.10902	0.7
207.11726	2.2
207.13618	0.5
208.12506	1.4
209.09674	0.4
209.13295	3.6
210.14024	0.5
211.11148	0.8
211.14842	2.2
212.11971	0.4
212.15370	0.3
213.12717	1.5
213.16379	0.6
215.14336	1.2
217.10107	0.4
217.15823	0.5
218.10887	0.4
218.16713	0.5
219.11705	0.9
219.13765	0.5
220.12482	1.2
221.13332	1.9
221.15417	2.8
222.13780	0.5
222.15810	0.3
223.11226	0.4
223.14793	2.5
225.12727	1.1
225.16443	1.2
227.14282	0.7
229.16020	0.5
231.11687	0.5
232.12430	0.5
233.13226	1.3
233.15424	3.1
234.13943	0.7
234.16020	0.7
235.14938	1.9
237.16385	2.3
239.14403	0.5
239.17938	0.7
241.15836	0.4
245.13268	0.7
246.14034	0.4
246.16214	0.3
247.14790	1.0
247.16992	0.7
249.12671	0.3
249.16466	1.3
251.14151	0.3
251.18059	0.5
253.15854	0.9
253.19438	0.5
255.17395	3.3
257.19095	0.5
259.14670	0.7
259.20633	0.3
261.16391	1.0
261.22165	0.5
263.17923	0.8
265.16074	0.6
265.19293	0.4
267.17477	1.0
269.19009	1.0
270.19818	0.7
271.17139	0.4
273.16101	0.4
273.18661	0.5
275.17892	0.5
281.19009	1.0
283.20596	0.5
285.18625	0.6
286.19403	0.5
287.20273	0.5
289.19135	0.4
297.18860	0.4
298.19226	0.5
299.20108	1.0
305.18936	0.4
332.47067	0.3
335.23688	0.4
347.23770	0.5
351.23013	0.3
361.25006	0.3
365.24796	1.0
369.24643	0.3
383.25812	0.9
408.20490	0.3
415.25589	0.7
582.40503	1.2
600.41467	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	600.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.8
58.84265	1.1
58.99590	2.0
67.05497	7.2
69.07065	4.3
70.06598	2.4
70.07100	1.2
71.58417	1.3
74.00665	3.4
76.02226	4.0
79.05494	7.9
81.07064	16.5
82.06606	1.2
83.06094	2.2
83.08630	1.2
84.04520	6.2
85.01122	1.3
85.66325	1.1
91.05491	8.3
93.07039	7.3
95.04960	3.2
95.08611	10.6
97.01113	2.0
99.01440	2.7
100.02199	6.8
103.05453	1.2
105.07020	5.9
107.04951	2.3
107.08587	4.3
109.06509	3.1
109.10179	3.1
112.02174	7.2
114.03756	6.9
116.01672	3.2
117.07036	2.4
119.08583	4.4
120.08118	1.3
121.10139	4.1
123.08110	1.3
123.11740	1.8
126.03732	3.2
129.06635	1.4
130.05013	1.7
130.06558	2.1
131.08589	5.0
133.10155	4.6
133.31769	1.1
135.08099	1.8
138.03772	2.2
140.05302	7.2
144.01137	2.2
145.10147	4.4
147.11659	3.4
149.09561	1.3
152.05229	1.4
153.06546	1.5
154.06863	1.5
159.11810	1.7
162.02223	3.3
168.08414	14.1
173.13242	3.0
175.11168	1.2
179.04900	2.9
185.03825	1.8
202.04182	1.4
209.15440	1.5
216.05649	1.6
231.04457	3.1
255.07982	3.4
262.08804	1.4
264.14130	5.2
269.09686	2.2
270.10309	5.1
271.11063	1.3
275.20032	7.3
281.14343	2.4
282.15240	28.2
282.18427	1.5
293.21194	1.5
323.15891	1.2
333.18936	2.1
349.18143	1.2
350.21527	9.9
368.22464	10.1
378.20685	1.3
384.17233	10.4
385.17993	2.5
453.24203	100.0
454.24432	1.6
525.26233	6.5
583.26331	1.6
600.29297	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	600.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66824	0.5
53.03955	0.6
54.25938	0.5
55.01870	1.6
55.05505	3.7
56.05046	1.2
57.03433	0.5
57.98802	1.1
58.99586	20.9
61.01160	0.7
65.03907	0.7
67.05503	9.1
69.03432	0.9
69.07069	5.0
70.19499	2.2
71.05012	0.6
76.02226	81.2
76.03979	2.9
78.03801	0.6
79.05494	7.1
80.04995	0.8
81.06570	0.9
81.07052	11.2
81.78571	0.5
83.04986	2.6
83.06119	2.5
83.08614	2.1
84.04502	13.8
85.06548	0.8
86.99056	4.0
88.02212	2.1
91.05478	8.1
93.07039	9.9
95.04951	2.6
95.08598	7.6
97.06524	1.9
97.10175	1.5
99.05564	0.8
102.05504	0.6
105.07026	10.8
107.04958	2.4
107.08592	5.4
109.06521	4.1
109.10156	3.3
111.08109	1.0
114.03812	1.0
116.01673	22.0
117.07005	2.9
118.05052	0.5
119.08580	6.0
120.08131	0.7
121.06517	3.7
121.10145	4.8
123.08072	2.2
123.11671	0.6
124.02222	0.6
125.09620	1.2
129.06636	2.2
129.92462	0.6
130.05020	5.9
130.06462	0.6
131.08572	7.5
133.06467	1.6
133.10144	6.8
135.08051	2.0
135.11693	2.2
137.05989	0.5
137.09605	0.6
139.07549	0.5
139.08687	0.5
141.04770	1.0
142.03226	8.6
143.08568	1.9
144.00098	0.9
144.01147	12.6
145.06296	1.8
145.10130	5.2
147.08009	2.0
147.11690	5.1
149.09665	2.5
149.13237	1.4
151.11140	1.9
155.08522	0.8
157.10106	1.9
159.08064	1.2
159.11655	3.3
161.09633	2.6
161.13272	1.1
162.02202	45.0
163.11153	2.7
169.10152	0.8
170.02701	2.4
171.11687	1.8
173.09579	1.7
173.13179	1.4
175.11209	1.8
177.12679	0.8
179.04849	100.0
183.11684	1.0
187.05368	3.2
187.11200	1.0
189.12692	1.3
191.14307	1.5
199.05392	0.6
199.14706	0.7
201.12799	1.0
203.14258	0.8
207.13788	2.4
215.04849	2.3
215.17949	1.4
217.15895	0.8
219.13803	1.4
229.19450	0.7
233.05894	13.7
239.17950	1.1
245.05902	4.4
245.18889	0.8
247.20544	1.1
255.17577	0.7
257.19016	3.0
273.18503	4.2
275.20062	32.3
276.20282	0.7
290.07990	0.8
291.06396	3.3
291.19571	3.2
293.21088	20.2
308.09091	31.5
332.43423	0.6
333.18637	0.7
350.21603	0.6
351.19531	0.7
368.22534	8.7
412.04623	0.7
453.24307	5.4
471.24896	1.4
525.26233	3.8
582.27942	1.3
600.29510	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	599.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	4.1
52.74771	2.5
52.88815	2.4
53.03944	7.7
55.01877	25.4
55.05517	47.3
57.03444	11.5
57.07062	10.7
59.05010	2.8
65.03938	5.4
67.05508	95.0
67.34238	2.2
67.45543	2.3
68.14048	2.4
69.03424	8.9
69.06715	3.1
69.07070	35.7
69.25488	6.9
69.25907	18.9
69.60975	2.3
71.04980	10.7
71.19116	2.4
75.22255	2.3
78.04716	2.2
79.05495	99.3
81.03410	8.7
81.07061	100.0
83.04980	17.3
83.08624	25.1
85.06547	8.5
86.25742	2.4
91.05487	79.9
93.06462	5.0
93.07052	96.5
95.01356	3.0
95.04977	28.6
95.08608	70.1
97.06533	38.5
97.10175	12.5
99.08070	5.4
103.05471	4.8
105.07036	85.3
107.04970	14.6
107.08601	74.0
109.06557	12.4
109.10156	41.8
111.08067	6.5
113.09635	3.2
115.05429	4.7
117.07011	29.1
119.05014	3.5
119.08582	67.7
121.06499	10.0
121.10158	51.1
123.08090	13.5
123.11715	12.3
125.05938	2.5
125.09656	13.0
128.06190	5.4
129.06999	20.1
130.07773	4.8
131.08586	41.9
133.06496	6.0
133.10135	47.1
135.08046	13.5
135.11696	25.4
137.09631	10.6
139.11180	5.3
141.06979	8.0
142.07762	10.3
143.08559	28.8
144.09290	5.8
145.06534	3.0
145.10126	55.0
146.39381	2.9
147.08037	10.0
147.11708	25.0
148.08710	2.3
149.09630	33.1
149.13257	9.2
151.07538	8.1
151.11174	8.8
153.12758	2.6
154.07791	3.2
155.08548	14.9
155.10677	2.6
156.09343	4.6
157.10135	34.5
159.08052	7.2
159.11703	31.1
161.09622	8.6
161.13261	10.1
163.11200	19.8
165.07054	4.1
165.09128	20.0
167.08525	4.9
167.10684	13.9
168.09438	2.7
169.10149	19.4
170.10953	5.1
171.11693	21.2
172.12187	3.4
173.09735	3.8
173.13251	20.0
175.11214	6.9
175.14821	8.2
177.09088	3.3
177.12779	5.8
179.08522	3.3
180.09268	3.2
181.02608	3.3
181.10100	5.0
181.12206	7.8
182.10915	4.4
183.11719	19.9
184.12404	3.8
185.09644	4.0
185.13235	18.7
187.11214	5.6
187.14743	14.5
189.11229	6.3
189.12762	6.4
189.16397	3.6
191.14386	3.0
193.10201	7.7
193.12138	2.9
195.11705	14.0
195.13768	3.9
197.13274	18.3
199.14819	9.6
201.12708	3.4
201.16429	6.5
203.14339	9.2
207.11665	6.4
207.13762	6.2
209.13222	14.8
209.15080	3.7
211.14864	10.9
213.12805	3.3
213.16389	10.1
215.17969	7.7
216.96475	2.6
217.15749	3.5
221.13235	7.0
221.15320	35.6
223.14839	9.7
225.16400	7.4
227.12762	8.1
229.19527	3.5
231.17448	5.1
233.13239	4.1
233.15347	13.6
233.18962	5.0
235.14830	5.0
237.16542	3.4
239.18011	4.8
241.19495	4.0
247.16953	7.3
247.20699	3.1
251.17923	3.1
255.21181	3.9
257.19003	8.4
263.17880	3.1
269.19012	3.1
273.18613	4.4
275.17291	4.0
275.20105	55.5
293.21274	4.2
299.20352	2.6
307.22733	46.7
313.11795	3.0
325.21613	5.6
335.26019	4.8
339.26733	6.6
349.23795	25.2
365.24786	5.6
370.27789	2.5
391.25827	3.9
487.34146	8.7
507.34698	4.5
543.18994	9.5
551.47644	2.5
581.41949	59.8
599.25867	4.0
599.42303	77.7
625.27686	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	599.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.6
53.43255	1.6
55.01872	12.1
55.05513	41.5
56.94448	1.5
57.03445	12.9
57.07068	6.8
59.05011	2.3
65.03941	7.7
67.05508	83.0
69.03419	6.1
69.07071	32.8
69.91116	9.2
71.04987	5.5
71.08629	3.4
71.56422	1.7
73.06556	1.7
73.91358	1.9
79.05495	100.0
81.03426	4.2
81.07063	100.0
83.04981	9.6
83.08622	17.3
85.06540	5.4
89.06033	6.4
91.05486	79.0
91.74622	1.5
93.07050	94.7
95.04976	19.9
95.08610	76.9
97.06541	14.1
97.10172	6.6
98.20961	4.1
99.08105	7.9
101.60517	1.8
103.05479	3.9
105.04530	2.1
105.07033	70.0
107.04979	10.6
107.08601	58.6
109.06518	10.1
109.10162	30.9
111.08081	6.4
111.11755	1.7
115.05499	3.2
116.06259	2.5
117.07021	25.7
119.08585	58.8
121.06511	7.1
121.10151	44.0
123.08050	11.4
123.11714	12.6
125.09611	2.8
128.06223	3.7
129.07022	11.5
130.07797	4.2
131.08565	46.8
133.06557	3.9
133.08627	4.0
133.10138	48.2
135.08076	13.1
135.11696	20.3
137.09601	13.9
137.13240	2.1
139.11102	2.5
141.07004	7.2
142.07802	4.9
143.07025	3.0
143.07370	2.8
143.08565	23.3
144.09335	3.3
145.06496	3.5
145.09024	3.2
145.10129	41.1
147.08084	9.2
147.11714	21.6
149.09622	33.0
149.13246	6.5
151.07643	3.4
151.11188	4.0
154.07712	1.9
155.08580	7.9
156.09331	2.2
157.10141	22.5
159.08070	3.5
159.11710	32.1
160.08891	1.7
161.09616	7.3
161.13275	8.9
163.11203	11.8
163.14835	3.7
165.09135	14.4
165.12798	2.9
167.08607	3.4
167.10698	2.6
168.09399	3.0
169.10170	8.6
171.08093	1.8
171.11693	15.9
173.09595	4.6
173.13274	17.9
175.11229	6.8
175.14864	4.9
177.09332	2.1
177.11185	1.9
177.12741	3.3
179.08554	2.4
179.10669	1.5
181.10136	6.2
181.12234	5.0
182.10886	1.9
183.11635	11.6
185.13254	11.3
187.11172	3.7
187.14868	6.4
189.12814	2.8
189.16418	1.7
191.14365	3.1
193.10089	2.8
193.12206	1.7
195.11711	5.3
195.13770	2.3
197.13261	8.5
199.09621	2.7
199.11313	2.0
199.14867	5.8
201.16405	22.8
203.14372	6.3
203.18030	6.0
207.11797	3.2
207.13814	3.5
208.12454	1.9
209.13310	5.0
211.14835	10.7
213.16399	6.4
215.14560	1.7
215.18031	3.9
217.15913	2.0
219.17648	2.4
221.13362	4.0
221.15375	25.7
223.14842	2.7
225.16447	2.8
229.15948	10.7
229.19559	3.1
231.17307	3.4
233.18996	3.0
234.16107	1.8
239.18027	3.0
240.77359	1.8
247.16911	18.9
247.20648	2.9
257.19113	4.8
259.20712	2.3
261.22217	3.8
273.18668	2.1
275.20062	18.6
299.20068	4.4
307.22754	13.6
317.24893	2.8
321.20636	9.3
335.25812	22.6
349.23663	9.7
352.24103	2.9
365.24796	2.3
391.26160	3.4
405.28763	1.8
440.29083	2.6
483.35013	2.5
487.33752	5.2
489.37256	4.1
501.35666	4.3
512.24420	3.7
519.33905	3.3
520.35663	2.9
527.37372	2.8
539.22723	4.0
581.41998	30.2
599.24689	7.2
599.42810	50.3
600.41925	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	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37809	2.3
53.03942	6.5
55.05509	23.2
57.07075	8.6
59.04990	4.0
65.03955	5.6
67.05510	29.5
69.03429	10.4
69.07071	25.7
69.48582	14.1
77.44910	2.2
78.37045	2.3
79.05501	30.4
81.07063	36.7
83.04984	8.0
83.08628	15.2
85.06560	7.8
89.10747	2.5
91.05473	39.2
93.07046	60.8
95.04984	22.0
95.08611	37.4
97.06532	17.6
97.10210	2.6
98.20739	3.6
102.28691	2.2
103.56702	2.4
105.07032	54.8
105.82317	2.4
107.05013	3.3
107.08595	49.4
109.06540	9.1
109.10162	19.0
111.08078	4.3
111.11713	2.9
113.09686	3.1
115.05428	4.6
117.07085	12.0
119.08599	51.3
120.11588	2.4
121.06533	8.5
121.10149	70.5
123.08078	19.3
123.11707	7.2
125.09609	12.1
128.06233	7.8
129.07022	10.1
130.07770	3.8
131.08580	29.9
133.06476	4.6
133.10127	36.7
135.08098	12.4
135.11719	13.1
137.05995	2.4
137.09642	6.6
139.11185	9.3
141.06992	4.4
142.07819	10.8
143.08580	29.8
144.09357	6.4
145.06508	4.6
145.10129	36.5
147.08070	13.1
147.11707	14.6
149.09654	20.6
151.07535	19.9
153.12842	3.9
155.08568	16.5
155.10710	7.8
156.09367	11.4
157.10124	33.4
158.10915	5.4
159.08105	11.1
159.11749	19.7
161.09612	7.4
161.13309	9.9
163.11162	6.2
165.07021	4.0
165.09119	13.0
167.08614	5.5
167.10680	90.3
168.09366	4.9
169.10164	18.0
170.10915	5.3
171.08025	3.2
171.11676	19.4
173.09639	6.8
173.13283	16.7
175.11246	3.4
175.14874	7.9
177.12831	4.0
178.07840	2.5
179.08604	8.0
180.09399	2.9
181.10184	9.7
181.12279	9.4
182.10948	6.4
183.11661	17.7
185.09659	4.8
185.13292	9.5
187.11252	7.1
187.14775	6.1
189.12753	9.6
191.14386	6.6
192.09242	4.2
193.10243	8.6
194.10953	8.1
195.11609	12.0
196.12488	4.7
197.13203	15.8
199.11288	2.9
199.14830	7.2
201.12842	2.8
201.16447	4.2
203.14374	9.0
205.10220	4.1
205.12099	2.8
206.10979	8.7
207.11765	9.2
207.13852	9.2
208.12518	4.2
209.09631	2.9
209.13313	13.7
209.15358	5.4
209.59972	2.4
211.11359	2.9
211.14917	10.2
213.12828	3.3
213.16362	2.4
215.14355	6.2
217.10149	2.9
219.11794	2.9
219.17473	2.6
220.12521	4.6
221.13257	10.8
221.15437	27.7
223.11322	3.1
223.14896	8.9
225.12811	4.8
227.14275	4.6
230.10953	3.1
231.11636	2.7
232.12541	4.1
233.13239	5.6
233.15340	41.4
235.14906	5.3
237.12750	4.0
239.14453	3.5
239.17929	4.8
241.16154	2.9
243.11458	2.7
245.13182	4.3
247.14877	3.3
247.17099	4.0
249.12817	3.5
249.16438	4.2
251.14272	3.3
251.17947	2.8
253.15984	3.2
259.17099	4.2
260.15381	2.9
261.16388	2.9
263.18088	5.8
269.19031	3.5
275.17917	4.2
277.19366	4.0
279.17523	2.6
281.19000	3.2
285.18558	5.8
287.20309	3.9
299.20197	8.3
311.20245	3.9
365.24783	4.5
373.25250	3.0
377.24976	4.0
389.30273	2.5
391.26309	4.5
419.29688	2.7
541.11139	2.6
553.40387	3.1
563.39166	3.0
571.41663	2.7
581.40009	24.1
599.41016	100.0
599.50629	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	599.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
55.01869	8.7
55.05514	40.8
57.07068	10.4
59.04992	4.3
65.03933	6.6
67.05505	46.5
67.05834	5.5
68.74713	2.7
69.03414	17.4
69.07065	23.4
69.29681	27.8
71.04977	5.0
76.17741	2.6
79.05495	34.8
81.07062	48.1
83.04997	14.4
83.08621	36.9
85.06516	4.1
89.06025	3.0
91.05486	47.6
93.07046	67.8
95.04980	22.2
95.08609	48.6
97.06543	37.0
97.10223	3.5
98.20697	4.7
103.05489	3.7
104.57478	3.2
105.07034	77.9
107.04945	8.1
107.08599	64.2
107.09288	4.4
109.06509	13.9
109.10158	29.7
111.08110	8.0
113.09687	14.1
115.05428	4.7
117.07011	20.1
119.08578	66.2
121.06520	10.8
121.10145	69.6
123.08081	21.7
123.11724	11.1
123.38287	2.6
125.09625	15.1
128.06255	9.8
129.06987	17.4
130.07805	7.1
130.10493	2.7
131.08562	33.5
133.06503	7.9
133.10121	41.8
135.08044	17.0
135.11690	16.1
137.09651	9.4
139.11171	18.7
141.07028	8.7
142.07816	16.0
143.08591	33.1
144.09375	8.2
145.06544	3.3
145.10133	51.7
147.08017	14.8
147.11711	19.2
149.09602	22.2
151.07545	13.6
153.06950	4.4
153.09100	3.4
153.12733	3.6
155.08580	12.8
155.10753	8.8
156.09407	12.2
157.10138	47.9
158.10933	5.8
159.08081	12.7
159.11713	29.0
161.09651	15.1
161.13278	9.4
163.11214	10.9
165.07082	8.4
165.09113	15.4
167.08528	8.8
167.10681	72.8
168.09386	4.0
169.10133	27.3
170.10924	6.2
171.11716	26.3
173.09662	8.3
173.13301	19.0
175.11246	6.9
175.14908	12.2
177.12735	3.2
179.08594	9.2
179.14270	3.0
180.09424	6.7
181.10133	14.9
181.12233	25.5
182.11002	8.0
183.11679	26.1
185.09662	7.0
185.13275	15.8
187.11288	8.2
187.14902	5.8
189.12805	10.1
191.14395	6.8
192.09262	4.0
193.10162	11.6
193.16031	3.3
194.10793	6.0
195.11731	20.2
195.13435	3.6
196.12585	6.6
197.09708	5.1
197.13245	19.9
199.11200	3.0
199.14888	12.3
201.12828	4.2
201.16478	4.7
203.14380	9.1
205.10165	6.3
206.10970	7.1
207.11760	11.8
207.13783	4.9
208.12608	3.0
209.13330	25.1
209.15193	5.2
210.10396	2.8
211.11198	3.0
211.14813	18.6
211.81578	3.0
213.12851	4.4
213.16502	4.2
215.14427	6.3
217.15935	7.6
219.11816	3.8
221.13284	9.0
221.15430	42.5
223.14748	13.7
225.12860	3.6
225.16451	6.1
225.96448	3.4
227.14346	6.5
231.11714	7.1
233.13258	7.3
233.15352	39.3
234.14000	4.4
235.14839	11.6
237.16475	6.2
241.16005	3.0
245.13272	3.4
246.14020	4.6
247.14851	6.7
247.17094	10.0
249.16486	6.8
259.14853	6.0
261.16339	4.4
263.17819	3.8
269.19101	3.9
273.18594	6.2
275.17780	4.1
277.15900	3.0
277.19498	6.0
281.19235	4.1
283.20615	7.0
285.18582	4.8
287.20181	7.0
289.19565	4.0
297.18533	5.2
299.20142	12.2
311.20062	4.2
317.22675	3.4
323.20023	4.4
365.24973	5.2
373.25381	4.2
377.25137	7.1
391.26190	7.6
431.29364	5.2
436.98419	3.0
563.39691	3.8
581.39960	27.9
599.41193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.9
69.07067	2.0
71.33648	1.7
71.34000	1.5
72.08179	1.5
79.05487	2.2
80.08010	1.2
81.07061	3.6
91.05495	2.5
91.69621	1.3
93.07050	4.7
94.04187	2.7
95.04976	1.9
95.08623	3.3
105.07046	4.2
107.08598	4.8
109.06504	2.1
109.10194	2.8
119.08604	3.6
121.10137	3.9
122.03670	4.5
127.69138	1.3
131.08546	2.8
133.10146	2.8
137.05989	100.0
142.07770	1.8
143.08632	2.6
145.10083	2.1
147.08043	1.9
157.10146	2.6
167.10750	2.7
181.09918	1.9
182.15376	2.2
183.11807	1.6
221.15350	1.8
232.56021	1.6
233.15369	2.0
283.56659	1.4
294.20630	3.0
299.20352	1.4
306.20544	2.7
465.07068	1.4
599.41498	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	598.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.4
57.03424	3.9
57.07054	7.0
58.06608	4.4
67.05504	80.4
69.07075	19.7
69.25737	36.1
71.04994	22.1
77.20369	3.6
79.05498	25.8
81.07060	98.9
83.08619	14.8
85.06554	7.9
91.05505	27.0
93.07042	27.9
95.04976	7.6
95.08604	35.9
95.10226	3.6
97.06494	5.9
97.10183	6.2
98.20774	6.5
104.38174	3.8
105.07027	12.3
107.08578	9.8
109.10146	16.9
119.08592	6.0
121.06602	4.6
121.10172	10.7
123.11707	18.2
131.08577	5.3
133.10110	21.1
135.11734	7.9
187.13367	4.9
269.17410	6.0
301.20071	15.2
305.72354	3.8
337.27310	31.5
505.38861	100.0
543.68262	4.3
563.43127	42.9
598.62329	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	598.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.9
55.05510	26.9
57.03430	22.5
57.07064	5.6
65.03941	4.1
67.05165	5.3
67.05508	73.9
69.03440	5.8
69.07079	18.9
69.31053	30.8
69.54089	3.0
71.04989	4.3
73.96210	3.2
79.05493	59.9
81.03421	100.0
81.07063	74.9
83.04973	8.5
83.08627	21.1
89.06004	2.9
91.05491	46.2
93.07052	66.9
95.04982	24.9
95.08609	46.3
97.06532	8.8
97.10181	7.9
98.21368	11.0
105.07040	34.6
107.04975	10.2
107.08600	36.4
109.06529	9.1
109.10164	20.2
111.08092	9.3
117.07023	11.8
119.08597	36.7
121.06516	6.3
121.10152	30.2
123.08042	6.6
123.11723	5.6
125.09683	3.9
129.07021	14.5
131.08578	18.5
133.06482	5.1
133.10139	20.8
135.08092	5.7
135.11708	13.8
137.09628	8.1
143.08565	7.1
145.10132	19.9
147.08093	6.7
147.11714	14.8
149.09619	7.2
149.13266	7.2
155.08432	4.5
156.09267	6.7
157.10159	13.8
158.71825	3.2
159.11711	9.8
161.13292	7.2
163.11078	4.2
165.09122	14.2
169.10085	5.2
173.13307	11.2
175.11192	10.9
183.11679	5.3
185.13211	3.4
187.14827	5.4
193.12224	19.6
193.40112	3.7
195.11722	4.2
196.12350	3.4
209.13246	4.6
211.14934	6.0
221.13383	3.8
221.15425	8.1
227.12914	3.9
235.14975	3.3
239.12885	19.2
243.21094	4.1
261.22202	17.5
267.15918	77.7
268.16080	3.6
301.25165	4.9
335.25815	74.0
351.99869	3.8
453.33545	8.0
471.34222	3.5
499.33972	6.4
527.37366	34.0
545.38318	13.5
563.39185	4.7
581.41577	3.6
598.39996	16.1
599.40942	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	598.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
54.79815	1.5
55.01869	4.2
55.05501	2.2
56.05040	10.7
57.03425	3.6
58.62111	1.6
58.99589	14.3
67.05492	3.5
68.05025	6.1
69.07065	25.1
69.24241	12.9
69.24644	4.1
70.02940	6.6
70.06590	8.3
72.04515	6.6
72.08155	2.3
73.06539	2.6
74.00655	7.0
74.02415	2.1
76.02225	17.1
76.03994	7.8
79.05483	5.9
80.05027	8.6
81.03419	12.9
81.07044	6.4
82.06573	3.1
83.06087	11.2
84.04507	46.9
84.08150	8.6
85.00633	2.9
85.01126	40.1
85.04008	3.0
86.00655	37.5
86.99053	56.3
88.02206	7.7
88.03987	16.1
91.05460	4.5
93.07050	3.2
94.06579	2.0
95.08605	2.5
96.04478	5.1
97.01106	6.4
97.06528	5.0
98.00651	5.3
98.06047	1.7
98.21121	8.9
99.01411	2.2
99.05565	3.3
100.02203	6.0
102.03764	29.5
102.05534	18.7
108.04424	2.1
109.07616	5.6
112.02190	35.9
112.03937	3.8
113.00608	3.3
114.03747	11.5
114.05511	1.8
115.07551	8.3
116.01672	22.7
116.07092	3.9
117.07024	2.0
119.08601	2.7
120.08106	11.0
121.06505	2.6
124.02182	4.9
124.03958	1.8
126.03749	3.1
129.06578	8.7
129.10231	3.8
130.03239	18.1
130.04988	22.6
131.04547	2.4
132.01158	4.2
134.06079	2.1
135.08052	3.5
136.07553	3.1
140.01633	5.2
142.03220	35.8
143.02734	38.2
144.01157	4.5
145.06070	5.0
149.09698	2.8
152.01680	2.5
152.03741	11.1
153.06602	4.3
155.08130	7.4
156.06567	5.6
158.02681	6.7
162.02223	11.2
163.07565	2.1
165.09132	5.2
168.04831	5.0
168.06433	1.7
169.04311	8.4
170.02728	4.8
171.02223	5.7
177.03348	8.0
179.04860	13.4
181.06082	5.5
184.05986	1.7
185.03879	3.9
187.05391	3.3
188.03786	7.0
189.03296	100.0
193.12234	2.7
195.04707	3.5
196.04251	12.4
199.05406	3.8
199.07059	3.5
205.02837	2.9
205.06432	22.0
215.04854	47.0
217.06462	2.8
217.82208	1.7
220.08173	1.8
224.03699	3.2
227.04807	2.9
231.04362	3.7
233.05939	21.9
238.09032	4.2
241.06337	4.0
245.05956	7.5
253.13445	3.8
256.09827	3.3
257.13870	2.1
259.07489	6.0
263.14041	2.8
269.05936	3.0
287.07004	16.9
307.08493	3.0
308.08987	1.9
334.10620	3.1
342.48676	2.0
345.07355	3.2
362.10123	11.6
366.15759	1.9
433.16351	2.7
450.68118	2.0
451.17224	7.5
459.17490	4.3
469.18530	5.6
505.18405	2.2
523.19354	5.9
580.21643	7.9
598.22937	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	597.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.6
53.03949	8.9
53.77399	1.5
55.01871	4.3
55.05261	2.3
55.05510	35.3
57.03437	11.2
57.07068	4.4
59.05001	1.4
65.03934	4.2
67.05503	70.8
69.03407	2.4
69.07071	15.3
71.04980	2.4
77.03928	2.2
79.05491	83.0
81.03397	1.6
81.07054	70.1
81.08778	1.7
83.04971	3.2
83.08623	13.8
85.06530	3.8
86.01243	1.3
88.43214	1.4
90.53625	1.5
91.05479	77.1
93.07042	74.5
93.07523	1.0
95.04975	12.6
95.08606	45.3
97.06536	9.0
97.10175	4.7
98.20783	2.8
99.08095	3.0
103.05468	4.7
105.04500	1.8
105.07029	60.9
107.04952	5.8
107.08593	26.8
109.06528	5.9
109.10156	18.3
111.08065	4.9
114.33324	1.5
115.05447	9.4
116.06217	5.6
117.07016	41.2
119.04905	1.5
119.08577	38.5
121.06488	6.1
121.10146	36.2
123.08058	4.9
123.11713	4.2
125.09629	4.3
128.06218	16.9
129.07011	24.8
130.07814	9.5
131.08565	67.3
133.06465	6.2
133.10129	22.6
135.08081	7.7
135.11693	11.3
137.09610	3.6
139.11165	3.9
141.06955	10.5
142.07793	5.5
143.08556	69.7
144.09299	2.0
145.06459	3.7
145.10117	74.4
147.08023	7.5
147.11665	11.0
149.09592	5.3
149.13266	6.1
155.08527	8.6
156.09332	2.0
157.10126	26.5
159.08044	3.0
159.11690	16.4
161.09608	10.2
161.13258	2.5
163.11201	5.3
165.07005	2.1
166.07697	1.6
167.08554	4.3
168.09236	2.0
169.10098	11.8
171.11708	17.7
173.09616	2.3
173.13254	5.7
175.11147	7.0
175.14832	1.9
177.12775	2.5
180.09261	1.5
181.10094	12.1
183.11702	8.5
185.09581	2.5
185.13249	9.4
187.11211	1.9
187.14761	3.4
189.12793	2.4
189.16336	1.8
195.11720	15.3
197.13258	2.8
199.11205	2.2
199.14793	1.7
201.12740	2.4
209.13251	3.5
211.11198	1.6
211.14877	2.1
213.12665	2.5
213.16306	3.6
215.14366	2.3
215.17957	3.4
217.15755	1.5
227.17958	5.8
229.69452	1.7
237.16370	12.5
241.14357	2.2
245.19046	5.4
255.17432	16.7
265.19193	1.5
266.72754	1.5
273.18484	51.3
307.22647	100.0
329.21069	3.6
347.22113	25.1
365.23358	1.5
579.40546	16.4
597.40900	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	597.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.8
55.05502	14.0
61.02912	5.8
67.05516	24.2
69.07053	15.1
69.61783	30.6
75.05145	6.4
79.05492	25.8
81.03413	10.4
81.07061	33.8
83.04966	6.4
83.08592	8.5
85.02887	7.5
91.05498	46.2
93.07030	31.0
95.04967	7.3
95.08591	28.2
97.06533	8.2
98.21169	19.7
105.07025	33.9
107.08599	18.7
109.06552	7.0
109.10168	6.5
109.14964	5.1
116.06264	5.7
117.07020	18.3
119.08585	20.4
121.06514	7.9
121.10133	15.1
125.09567	5.9
127.04129	6.1
128.06261	5.7
129.07019	15.7
130.06531	29.0
131.06865	14.4
131.08549	34.8
133.10164	16.3
137.97765	5.3
141.06938	8.5
143.08537	16.3
145.10126	19.7
149.09683	8.0
155.08527	9.5
157.10165	14.1
159.11736	10.0
167.08682	5.3
167.10712	6.0
169.10120	6.0
171.11714	7.6
173.13260	9.0
181.10153	9.8
185.09718	5.9
195.11775	8.5
197.13280	8.2
211.14864	6.7
213.12744	7.3
233.15298	6.9
259.12311	7.6
260.12656	11.9
297.22162	6.9
325.21616	25.1
343.15152	6.0
343.22617	21.8
361.23721	17.0
417.26376	100.0
435.27579	53.8
460.93048	5.8
467.25504	5.3
579.38599	7.4
597.28821	23.2
597.39471	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	597.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62135	4.2
55.05507	15.7
67.05501	28.2
69.03382	4.5
69.07068	12.8
71.58053	6.0
79.05507	29.1
81.07064	22.9
83.08614	7.7
86.80916	4.2
91.05493	21.5
93.07041	28.5
95.04987	11.8
95.08608	21.0
101.62236	4.5
105.07036	37.0
107.08572	12.7
109.06527	7.3
109.10160	9.8
117.07040	17.5
119.08591	21.5
121.06511	7.0
121.10139	22.6
123.08097	9.7
128.06227	5.7
129.07053	7.7
131.08595	21.3
133.10138	18.7
135.11662	7.2
141.06987	9.5
143.08595	19.7
145.10146	18.2
147.11702	7.5
149.09618	8.0
155.08517	10.6
157.10117	13.2
159.08017	6.6
159.11668	7.5
161.09564	7.0
167.10698	9.0
169.10211	10.0
171.11696	13.1
173.13252	6.2
181.10094	6.8
183.11644	7.6
185.09634	7.0
187.11240	5.7
189.12755	5.3
195.11731	6.7
199.11201	14.8
209.13326	9.3
230.70056	4.5
233.15373	6.7
239.85237	4.8
266.69470	5.2
279.70181	5.1
284.60760	6.1
297.22070	5.4
315.23114	5.4
325.21518	15.4
343.22766	13.7
417.26315	100.0
435.27448	17.1
501.55298	5.2
554.72546	6.0
579.39343	7.7
597.39905	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	597.3033
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.47736	1.3
55.05511	13.4
57.03444	10.4
57.07068	2.5
65.03944	2.4
66.22076	1.2
67.05164	2.2
67.05507	31.8
69.07068	15.5
69.65850	8.5
71.04980	1.2
72.11340	1.3
79.05511	8.8
79.64236	1.2
80.44025	1.2
81.03423	5.5
81.07057	33.7
83.04981	1.8
83.08621	7.6
91.05487	9.6
93.07042	11.8
95.04966	2.0
95.08604	21.9
97.06544	2.3
97.10172	5.5
98.98474	17.8
99.08138	1.8
101.17729	1.5
105.07021	7.9
107.08592	5.0
109.02900	7.3
109.06481	1.4
109.10159	9.9
117.07030	2.5
119.08585	6.6
121.10146	6.3
123.08175	1.3
123.11722	4.4
127.03946	1.9
129.07082	1.3
131.08545	1.8
133.10129	5.9
135.11703	3.8
143.08598	1.3
145.10176	1.4
147.11685	2.1
149.13193	1.3
155.01077	2.7
157.10121	2.0
159.08090	1.9
159.11784	1.5
161.13278	2.1
162.42627	1.3
163.06094	1.2
171.11653	1.3
181.10085	1.3
261.03815	4.7
263.23645	3.0
335.07117	1.7
337.27386	100.0
579.40411	2.6
597.40948	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	597.1453
Annotation	Peltatoside
Peak:m/z	Relative Intensity
50.51543	0.2
51.47721	0.2
55.01875	0.2
56.25919	0.2
57.03424	0.7
61.02926	1.5
64.13323	0.2
64.41156	0.3
65.03938	0.2
68.99823	0.2
69.03421	0.5
70.06565	0.6
70.18807	0.8
73.02920	8.1
85.02905	0.8
96.52520	0.2
97.02930	0.3
109.02876	0.4
109.16231	0.2
111.00786	0.7
115.03921	0.7
121.02851	1.0
134.71964	0.3
137.02338	2.5
137.55307	0.2
147.04411	0.3
149.02397	0.3
153.01846	2.7
163.03905	1.0
165.01820	1.9
183.02939	0.7
187.03944	0.3
195.02953	0.3
201.05476	1.5
219.06595	0.3
229.04958	3.5
247.06035	0.6
257.04501	2.7
274.04755	0.7
285.03806	1.4
303.04996	100.0
304.05365	1.4
345.06152	0.3
354.68918	0.3
369.05911	0.3
392.11545	0.2
465.10324	12.0
466.11176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.05516	17.8
57.03428	5.5
57.07059	3.3
59.58290	2.0
60.05643	4.5
60.08144	2.4
65.03933	3.7
67.05507	67.0
69.07074	12.7
69.33178	17.1
71.04994	15.5
79.05502	39.3
80.70082	1.8
81.07061	100.0
83.05013	2.7
83.08624	10.0
85.06532	6.2
89.79390	1.6
91.05488	30.0
93.07047	37.5
95.04969	2.6
95.08611	33.5
97.06538	3.7
105.07040	15.4
107.08592	19.8
109.06529	3.0
109.10143	13.7
113.75871	2.1
117.07020	6.1
119.08588	8.7
121.10139	17.2
123.11724	13.1
131.08565	11.9
133.10144	15.5
135.11702	9.7
145.10100	5.0
147.11667	4.7
149.13272	4.4
151.11171	7.6
159.11731	4.2
173.13300	2.9
177.12737	2.1
182.38957	1.9
187.13318	5.5
190.81319	1.8
195.13795	2.3
203.59924	1.7
243.20819	2.0
261.22003	3.6
269.17450	5.8
301.20078	16.2
335.25781	36.8
503.37308	99.0
504.37228	3.9
517.38257	4.2
529.38715	5.2
544.92352	2.1
561.41449	47.6
596.37915	6.2
596.47168	4.4
596.59070	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	596.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83287	3.6
53.03946	6.9
55.01861	6.5
55.05509	29.1
57.03429	12.4
57.50608	3.2
60.61337	3.0
62.04195	3.0
66.73962	4.1
67.05505	100.0
69.03419	4.6
69.07072	32.9
70.98292	8.1
71.05004	4.9
71.08623	3.8
79.05499	72.0
79.05952	4.4
81.07059	66.3
83.04982	9.6
83.08613	11.3
84.04503	6.0
85.06522	3.8
91.05483	63.4
93.07049	70.1
95.04947	16.0
95.08611	46.7
97.02908	9.9
97.06539	14.1
97.10189	6.4
98.21230	3.6
105.07025	39.7
107.04939	7.5
107.08580	39.1
109.06524	9.2
109.10178	31.3
109.60168	3.4
111.04471	7.5
111.08129	5.6
117.07009	18.0
119.08572	33.7
121.06516	4.3
121.10157	26.8
123.08113	5.7
123.11716	3.6
125.09664	7.8
129.07014	12.1
131.08572	22.4
133.06493	5.4
133.10124	25.7
135.08084	6.9
135.11693	26.6
137.09665	5.4
141.06998	4.7
143.08580	13.7
145.10127	27.8
146.97290	4.0
147.08015	7.2
147.11653	8.2
149.09625	14.3
149.13306	6.4
151.11201	6.1
155.08521	8.8
157.10025	9.1
159.11710	14.1
161.09674	5.4
161.13248	6.1
163.11169	8.5
165.09088	4.9
169.10207	7.1
171.11626	8.5
173.09631	9.6
173.13258	9.3
181.12241	5.1
185.13194	8.8
191.10655	6.2
209.11714	14.2
211.14923	3.6
220.83218	3.7
221.02783	3.3
227.16478	4.6
229.14186	4.5
255.15945	12.1
261.22345	5.2
271.20944	5.2
283.15417	71.3
289.21695	4.9
301.21619	5.3
311.29239	3.9
315.23248	9.7
335.25778	18.7
373.23431	4.3
391.24878	4.1
451.32013	15.5
469.33185	8.0
487.34567	7.2
515.37085	3.9
525.35535	11.0
538.55823	3.7
543.36780	47.6
554.58673	3.9
561.38031	18.2
596.39014	4.7
596.47528	5.6
596.59259	6.8
597.41711	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	595.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17906	2.9
53.03953	3.1
55.05503	6.7
57.03431	5.5
61.02912	9.7
67.05513	12.8
67.59592	2.7
69.03428	4.6
69.07054	11.1
69.96884	2.6
70.06593	3.8
70.40376	8.9
71.04977	3.3
71.08106	2.2
72.20165	2.3
79.05484	10.6
81.03407	11.3
81.07059	22.2
83.04992	3.5
83.08593	4.1
84.04528	2.8
85.02887	12.2
91.03952	4.0
91.05492	15.8
93.07027	12.2
95.04993	4.0
95.08600	13.8
97.02879	5.5
97.06524	4.5
97.10157	4.5
98.21266	4.9
105.07030	13.2
107.04959	4.1
107.08563	8.7
109.10159	10.3
117.06996	6.6
119.08566	8.3
121.10134	4.8
127.03928	7.3
129.05434	2.6
129.07011	7.4
130.06389	3.0
131.08585	9.4
133.10104	6.1
141.06981	3.4
143.08560	7.1
145.06450	3.7
145.10156	5.0
149.09685	4.4
155.08571	7.5
157.10159	3.3
169.10150	4.5
171.11696	5.3
181.10136	5.3
183.11797	3.8
195.11761	3.4
199.27023	2.6
287.05493	100.0
288.05939	4.4
295.20624	3.4
313.21725	4.6
323.19870	5.2
341.21106	8.0
415.24792	11.2
433.25848	15.2
534.83258	3.7
577.29651	5.0
595.31494	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	595.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.05516	9.4
56.68936	1.4
57.03432	6.5
57.07040	1.5
65.03952	1.5
67.05169	2.3
67.05506	30.9
69.07070	8.9
69.38541	5.1
69.38962	5.9
71.05015	1.5
79.05490	18.6
81.03416	7.4
81.07061	30.4
83.08617	3.4
85.02897	2.7
91.05488	11.2
93.07050	23.6
95.04980	1.8
95.08611	26.8
97.06554	2.9
98.98460	23.4
99.04492	1.6
105.07061	6.7
107.08578	10.8
109.02877	5.0
109.10166	8.4
114.62773	1.4
117.07013	1.7
119.08572	6.8
121.10150	6.8
123.11693	3.1
127.03889	3.5
131.08562	3.0
133.10158	3.3
135.11720	3.4
137.13251	2.7
140.45274	1.3
145.10127	3.4
147.11674	2.8
150.51013	1.7
155.01141	2.2
159.11722	2.2
243.21117	2.4
261.03705	5.5
261.22116	3.1
287.05414	6.6
317.24780	1.7
335.07495	1.8
335.25812	100.0
336.26453	1.9
595.24780	1.9
595.39240	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	595.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.01874	6.2
55.05499	8.8
57.03428	4.7
58.70211	2.7
61.02924	18.0
65.03941	3.3
67.05509	23.3
69.03423	6.2
69.07051	7.8
70.06569	4.6
71.02905	7.0
71.04987	4.8
72.48113	2.5
72.80682	2.9
73.02919	4.9
73.76904	3.0
74.06067	2.7
79.05486	24.1
79.87878	2.8
81.03397	10.0
81.07064	28.8
83.05000	4.7
83.08623	6.2
85.02904	17.9
91.03947	4.5
91.05472	30.2
93.07047	16.3
95.04960	11.2
95.08603	16.7
97.02880	9.3
97.03450	3.1
97.10182	5.6
105.07018	24.6
107.04942	9.7
107.08589	10.3
109.02833	3.2
109.06488	2.9
109.10175	6.3
115.05417	4.7
117.07027	9.3
119.08573	12.5
119.96201	3.0
121.06489	4.2
121.10138	7.1
123.08060	5.8
128.06213	6.3
129.06984	14.4
130.06516	3.4
131.04929	3.9
131.08549	16.5
133.06494	8.2
133.10130	9.2
135.08055	5.4
141.06973	8.2
143.08542	10.0
145.06522	8.0
145.10146	6.8
147.08031	8.0
147.11674	4.1
149.09618	4.7
154.63936	2.8
155.08588	9.7
157.10149	8.8
159.08057	6.6
159.11667	5.1
161.09587	4.0
167.08511	4.2
169.10095	3.9
171.11621	8.2
175.11227	3.2
181.10109	4.6
183.11661	5.5
183.94421	3.0
185.09624	10.0
185.13263	4.0
187.11221	7.3
195.11679	5.2
199.11259	4.3
201.12762	3.4
209.13168	4.0
211.11169	3.7
213.12743	3.3
257.15326	3.2
257.62656	3.2
283.06329	7.2
287.05502	100.0
288.05801	4.4
295.20486	4.2
301.07416	4.4
313.21588	6.9
323.20114	15.7
341.21191	26.7
389.22873	3.4
415.24750	43.7
417.43683	2.8
433.11285	3.9
433.25894	93.8
457.25864	5.8
475.26691	6.2
499.27390	3.7
541.27850	3.9
559.29279	3.7
577.31677	5.7
595.31903	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2552
Annotation	Salasol B
Peak:m/z	Relative Intensity
55.05511	0.7
66.42748	0.4
67.05517	1.5
69.07072	0.7
71.32647	0.5
79.05502	1.7
81.07063	1.3
91.05503	1.4
93.07063	1.2
95.04990	0.4
95.08687	0.6
103.63368	0.4
105.07046	1.2
107.08588	0.8
109.06594	0.4
109.10182	0.4
117.06985	0.4
117.64402	0.5
119.08601	0.6
121.10191	0.6
130.06531	2.3
131.06924	0.5
131.08551	0.6
133.10172	0.5
144.08148	0.5
145.10089	0.6
196.21951	0.4
275.20282	0.5
287.05493	2.1
363.16367	0.9
376.17056	0.6
377.17685	1.8
378.18735	0.9
379.19287	1.1
391.15347	0.5
391.19318	3.2
392.20087	1.3
393.20908	2.2
404.15878	0.5
405.16519	3.4
405.21292	1.3
406.17719	1.5
407.22647	4.6
408.23260	0.8
418.17810	0.8
419.18512	6.2
420.19113	2.6
421.20163	3.5
433.16174	2.2
433.21362	3.8
434.21378	3.8
435.21848	7.2
436.22723	0.7
443.74701	0.4
447.17419	3.9
448.18875	1.4
449.19385	2.8
450.20786	0.5
461.20148	1.4
462.20523	8.3
463.21243	5.0
475.21594	1.8
478.23749	0.6
479.20895	1.7
489.22748	1.3
493.22131	1.3
494.22781	0.5
507.24826	5.8
517.22058	0.6
535.23444	22.8
536.23773	0.8
538.21552	0.5
539.27057	0.5
549.24969	0.5
567.26093	2.1
595.25500	100.0
596.25690	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
55.94368	0.3
57.02483	0.3
57.03431	2.8
67.13194	0.3
68.99809	0.3
70.06582	0.3
71.02225	0.7
71.04993	18.3
73.02926	0.4
75.04469	0.5
83.04968	0.3
85.02905	18.2
87.04444	0.4
98.21188	0.3
108.67617	0.3
111.00809	0.9
111.04434	0.5
121.02862	2.3
127.03948	0.4
129.05481	4.9
133.02835	0.4
137.02330	0.8
147.04373	0.6
147.06541	0.8
148.49539	0.3
153.01842	2.6
165.01852	1.4
183.02913	1.3
185.05891	0.5
213.05501	0.9
241.04916	0.6
248.46069	0.3
258.05252	1.1
287.05493	100.0
288.05817	1.6
327.54791	0.3
329.06305	0.5
330.38324	0.3
397.09149	0.4
449.10828	12.4
450.10764	0.4
451.12485	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	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03945	0.4
55.01873	0.1
57.03423	0.6
61.02924	0.9
68.99795	0.4
69.03428	1.7
69.56698	0.9
71.04987	0.8
73.02916	0.3
73.48064	0.1
81.03432	0.9
85.02908	6.0
87.04476	0.2
91.03953	0.3
97.02890	1.9
98.05760	0.1
98.21162	0.6
99.04418	0.3
105.03374	0.3
107.04956	0.3
109.02882	0.6
111.00803	0.5
121.02876	1.9
127.03912	0.9
128.95920	0.2
129.05467	0.2
133.02872	0.4
135.04373	0.1
135.06357	0.2
137.02324	0.6
145.04947	0.8
147.04428	0.3
147.48750	0.1
153.01828	2.4
157.06450	0.2
161.05908	0.2
165.01814	1.1
183.02875	0.7
185.05867	0.3
203.07100	0.2
203.43164	0.1
213.05460	0.9
231.06520	0.6
241.05072	0.8
258.05240	0.6
259.05981	0.3
269.04321	0.2
287.05493	100.0
288.05792	1.4
433.11346	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	595.1652
Annotation	Datiscin
Peak:m/z	Relative Intensity
57.03419	0.4
61.02637	0.3
61.02926	4.5
68.99809	0.4
69.03416	0.5
70.78206	0.6
70.78571	0.2
71.04992	0.6
71.32541	0.2
73.02908	0.8
75.78793	0.2
81.03440	0.2
85.02908	4.2
91.03951	1.7
97.02891	1.9
98.20948	0.3
99.04477	0.3
105.03378	0.2
109.02850	0.3
111.00807	0.5
112.71999	0.2
121.02864	2.2
127.03929	0.6
133.02870	0.4
137.02348	0.9
146.19963	0.2
147.04398	0.3
153.01823	2.3
165.01888	1.5
165.03021	0.2
168.19930	0.2
183.02943	0.7
185.06039	0.2
213.05464	1.2
231.06487	0.6
241.04883	0.7
258.05148	0.8
259.06049	0.4
269.04376	0.3
287.05499	100.0
288.05844	1.1
343.57730	0.3
349.17029	0.2
365.59805	0.2
433.11490	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	594.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01865	3.3
55.05502	2.1
57.03442	1.9
67.05515	2.8
69.03423	3.5
69.07065	2.4
69.91402	6.9
70.06583	4.5
79.05492	2.0
81.03427	3.2
81.07053	3.6
83.08644	3.0
84.04501	2.6
84.08140	1.9
85.02902	4.1
86.09698	1.4
95.08619	2.0
97.02870	2.4
97.06507	1.6
100.11265	3.7
105.07080	1.1
107.08569	2.1
109.02908	2.8
118.06535	2.3
125.09628	1.4
127.03951	1.9
130.06531	100.0
146.06027	2.6
147.06790	1.6
148.07556	4.2
156.13872	1.5
160.79559	1.2
173.07224	1.7
174.05589	1.4
188.10812	1.2
197.10846	1.4
198.09276	1.6
199.08734	4.3
200.03015	1.2
201.10197	3.1
210.14888	1.9
213.10268	3.7
215.11833	3.3
218.21907	1.3
224.34962	1.4
225.10219	3.4
227.08153	4.0
227.11809	5.2
229.09769	4.0
241.09727	4.9
241.13280	3.7
242.10530	2.6
243.11314	4.4
251.11714	2.5
255.11320	14.0
257.12897	2.4
269.12869	7.1
271.14539	1.8
273.69714	1.4
285.12390	8.1
287.05536	8.7
297.12323	19.7
303.13504	2.0
315.13419	20.9
346.10010	1.5
357.14398	7.3
387.15256	1.7
401.17188	2.1
411.15314	8.4
414.17993	2.0
419.18549	2.2
429.16586	49.5
430.17087	1.5
432.19147	14.9
441.16492	2.7
447.17593	14.6
459.17880	3.6
474.20422	10.0
512.21777	1.6
540.21747	1.4
548.23352	1.4
554.17291	1.6
558.22223	7.9
576.23413	22.2
594.24316	7.8
594.45575	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	594.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32952	0.5
53.03946	1.0
55.01869	2.1
55.05509	1.3
57.03421	1.0
57.45755	0.5
58.63560	0.4
61.02908	1.7
67.05501	1.1
69.03431	3.5
69.07060	2.0
70.06587	2.4
70.27307	0.8
70.27695	1.1
70.81970	0.4
71.04993	0.7
71.08933	0.5
73.02917	0.9
79.05511	1.1
81.03409	2.0
81.07061	0.9
83.08604	0.7
84.04514	0.8
84.08144	1.9
85.02909	6.7
91.03938	0.5
91.05460	0.7
94.06524	0.9
95.04968	1.0
97.02901	3.4
97.06536	0.6
98.21333	0.6
99.04444	0.8
100.11250	1.9
105.06978	0.6
107.01330	1.2
109.02874	1.7
112.07565	0.7
117.05812	0.5
118.06544	4.1
120.08120	0.9
121.02869	0.6
122.06032	0.5
123.04443	0.7
123.11845	0.5
123.46207	0.4
127.03896	1.6
128.44888	0.5
129.10246	0.7
130.06529	33.6
134.06013	0.5
137.02354	6.5
140.07068	3.5
142.12170	0.8
145.04906	0.5
145.17302	0.5
146.06026	0.9
147.06786	0.7
148.07570	6.6
155.77328	0.4
160.07491	0.6
161.06024	0.5
163.03932	0.7
164.07031	0.5
165.01787	1.1
168.06607	3.2
173.05832	0.6
173.07143	1.3
174.05511	0.6
175.08676	0.5
181.73827	0.5
182.15437	1.7
183.02872	0.7
189.05409	3.4
197.10709	0.6
198.09192	0.9
199.03903	0.8
199.08682	2.2
201.10117	0.5
202.08862	0.8
205.68158	0.5
210.14891	1.6
213.10207	2.9
214.10942	0.5
215.11787	1.5
217.04988	1.1
223.12210	0.7
224.10847	0.7
225.10214	2.4
226.08682	1.0
226.10782	0.8
227.03357	0.7
227.08224	2.7
227.11699	2.3
228.12608	0.6
229.09816	1.3
237.10341	1.1
238.08722	0.6
241.04985	0.8
241.09746	3.2
241.13403	1.4
242.10503	1.6
243.11282	2.5
245.04433	5.6
251.11705	0.8
252.10176	1.1
254.10735	0.6
255.11292	9.6
259.05911	0.6
267.11365	0.8
268.56415	0.5
269.04575	0.8
269.12918	4.8
275.13806	0.8
278.47784	0.5
279.11227	1.2
285.12262	2.2
287.05441	2.9
287.13895	1.1
292.06046	0.7
297.12314	12.3
303.13443	3.6
315.04984	100.0
315.13278	31.6
316.05328	2.6
320.80652	0.5
357.14291	1.3
401.17072	0.8
411.15399	1.9
414.17984	1.4
429.16556	10.3
430.09375	1.1
432.10730	27.9
432.19141	60.5
433.11493	0.7
433.19574	1.1
441.16830	1.1
447.17572	3.7
457.24045	0.5
458.30481	0.5
459.17459	0.6
474.20044	2.5
540.20917	0.6
548.23914	0.5
558.22522	2.5
576.23242	4.9
576.31177	0.8
594.24048	1.6
594.45630	2.3
609.31775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.7
55.01865	9.6
55.05507	30.2
57.03435	8.5
57.07077	10.9
59.84662	7.6
61.02924	12.6
63.08496	7.7
65.51130	8.3
67.05499	48.7
69.03416	31.8
69.07066	51.7
70.06582	16.3
71.04990	9.9
71.08661	6.7
71.57523	7.7
79.05486	32.8
81.03405	26.6
81.07064	98.7
82.06561	9.0
83.08614	35.1
84.08151	13.1
85.02905	50.7
85.06537	13.2
87.00819	22.1
87.56344	7.6
91.05489	23.2
93.07031	64.3
95.04960	12.5
95.08611	100.0
97.02879	11.0
97.10181	25.8
98.20970	8.2
100.11279	13.4
105.01890	9.9
105.07029	23.3
107.08611	39.5
109.02847	22.5
109.10165	73.9
111.08118	9.2
111.11758	8.5
111.26001	8.3
119.08602	27.6
121.10152	44.1
123.11717	53.7
127.03900	31.3
129.10236	10.1
130.06543	25.9
133.10129	18.7
135.11693	29.4
137.13271	17.0
139.22296	8.3
147.11716	11.5
149.13261	45.6
151.14809	9.3
161.13248	12.0
163.14804	25.2
182.15434	8.7
182.97707	9.1
195.20122	9.4
197.68690	7.6
235.43451	9.9
249.89346	8.0
273.25922	23.7
279.26822	14.7
289.05246	11.3
291.26782	34.5
309.27847	44.3
341.96579	8.3
569.22571	11.3
593.15955	13.4
593.30182	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	593.2754
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
52.64459	0.4
62.53791	0.4
69.52673	0.3
69.52998	3.0
73.88825	0.4
94.51659	0.4
98.20969	1.4
194.23532	0.4
235.22733	0.5
236.04073	0.4
333.81580	0.4
387.16162	0.5
388.16718	0.5
389.17719	0.9
401.17874	0.7
402.18332	0.8
403.19345	2.5
404.19913	1.2
405.20703	1.9
416.20374	0.5
417.16391	1.0
417.21707	2.3
418.21579	1.7
419.22531	3.5
430.17578	0.6
431.18179	8.2
432.18628	2.1
433.24185	6.1
434.24850	1.3
445.19910	8.3
446.20871	4.2
447.21655	5.7
447.26590	0.5
449.23318	0.5
459.21683	3.8
460.22574	11.2
461.23279	8.6
473.23831	2.0
474.24194	0.7
477.22653	1.2
487.24902	0.8
489.26794	0.5
491.24612	0.8
492.25345	1.4
505.21979	6.2
515.24310	0.6
518.23444	0.6
519.23981	1.0
533.25507	26.7
534.25793	0.8
547.27057	0.5
564.23749	0.9
593.27576	100.0
594.27997	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	593.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08287	0.3
51.72354	0.3
54.23974	0.3
58.11530	0.3
69.27601	1.9
69.28043	1.2
84.03873	0.3
95.96264	0.3
98.20771	0.6
168.72290	0.3
185.48959	0.3
197.10785	0.3
236.71539	0.3
311.14114	0.3
388.17142	0.8
389.17679	1.1
402.18240	1.3
403.19186	3.5
404.19858	1.0
405.20813	1.8
415.19363	0.4
416.20026	1.3
417.16861	0.8
417.21292	4.5
418.21927	1.6
419.22314	4.5
421.23602	0.5
429.21408	0.4
430.17810	1.1
431.18243	8.6
432.18677	2.4
433.24170	7.6
434.24850	1.4
444.18918	0.6
445.19958	10.8
445.82205	0.3
446.20578	4.8
447.21729	4.6
449.23285	0.3
459.21613	3.9
460.22565	11.8
461.23251	10.7
463.21335	0.6
464.22070	0.4
473.23758	2.1
474.24194	0.9
476.25510	1.1
477.22470	0.7
487.24890	1.2
488.25330	0.4
489.26993	0.5
491.24448	1.0
492.25134	1.1
505.21835	4.8
515.24457	0.7
518.23096	0.8
519.23523	0.7
533.25482	42.0
534.25714	1.2
547.26782	0.6
561.24548	0.4
565.28412	0.8
575.27081	0.6
593.27576	100.0
594.27924	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	591.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	38.5
56.05036	29.5
57.03421	8.4
57.07065	9.0
66.77547	6.6
67.05495	37.0
69.03410	26.6
69.07074	74.8
69.42115	49.5
70.06594	86.5
72.08152	23.3
79.05492	18.7
81.03414	14.0
81.07060	100.0
83.08610	28.2
84.04489	51.1
84.08144	85.5
85.02908	32.8
85.06538	19.9
86.09690	10.4
88.03987	11.8
91.05468	21.1
93.07037	41.6
95.04955	15.7
95.08611	76.2
97.02884	9.2
97.06512	8.6
97.10178	11.2
99.08105	17.4
102.05546	17.3
105.07003	28.5
107.08581	29.0
109.02897	12.3
109.06486	12.0
109.10153	68.0
111.08083	13.0
111.11727	22.1
117.07003	8.1
119.08591	16.3
121.10138	19.3
123.11713	20.8
127.03903	14.5
127.11169	8.7
129.10243	50.6
130.06546	9.9
131.08514	7.1
133.10181	16.6
135.11716	16.4
136.07550	9.0
137.13214	8.7
139.11188	21.3
145.10114	12.4
147.11716	11.4
149.13255	13.5
157.10161	8.0
157.12234	11.7
159.11726	10.8
175.14752	8.1
190.87224	7.8
277.25226	11.0
289.25235	25.1
295.26361	33.6
299.05444	17.1
307.26315	47.6
325.27292	23.9
389.96768	7.1
525.47992	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	591.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07846	2.1
55.05515	10.9
57.03439	10.5
57.07075	34.0
59.97586	1.8
67.05171	3.9
67.05506	52.9
69.07059	17.8
70.18756	7.6
71.08625	26.6
79.05492	28.4
81.06575	3.8
81.07056	68.9
83.04985	2.7
83.08616	17.7
85.06553	3.3
85.10169	10.0
91.05473	18.3
93.07040	39.3
95.08607	48.5
97.10168	8.7
98.21299	4.9
105.07020	11.8
107.08607	22.9
109.10140	21.1
116.65472	2.1
117.06986	4.7
119.08574	12.3
121.10155	15.8
123.11721	10.6
131.08571	10.6
133.10132	11.7
135.11711	11.2
137.13266	5.0
144.09196	2.2
145.10114	9.0
146.99919	2.2
147.11667	8.9
149.13245	8.8
159.11726	8.1
161.13249	6.4
163.14867	8.0
164.49977	2.1
173.13248	9.7
175.14812	2.7
177.12750	2.3
187.14828	3.5
201.50047	2.1
223.69958	1.9
233.22523	2.9
239.23755	8.1
243.21048	15.2
248.37636	2.3
257.24744	2.9
261.22131	50.9
313.27362	100.0
314.27664	3.2
317.24667	10.2
335.25778	59.8
499.45071	4.4
573.48767	21.0
591.38763	3.2
591.49359	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	592.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.1
56.05035	0.8
58.06620	0.4
60.08165	6.4
67.05511	0.3
69.07081	0.2
70.06582	0.2
70.71560	0.3
71.07374	3.4
71.92960	0.1
79.05508	0.1
81.07057	0.2
86.09707	32.7
87.10059	0.1
98.21291	0.2
98.98474	3.3
100.18352	0.1
104.10043	0.2
104.10748	4.2
109.06533	0.2
125.00007	22.5
130.06549	0.2
143.01053	0.3
165.12651	0.2
166.02638	0.2
172.25652	0.2
184.07344	100.0
185.07683	0.5
237.72601	0.1
258.11020	0.4
292.38483	0.1
556.33539	0.5
574.35040	6.1
575.34814	0.2
592.36334	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80733	5.4
55.05500	27.0
56.05024	10.4
57.07062	8.4
59.04987	15.0
67.05509	36.7
68.82930	7.0
69.03421	11.4
69.07066	87.6
70.06581	30.3
71.04960	8.6
71.58322	5.6
72.08132	5.2
79.05484	23.0
81.03403	14.4
81.07054	100.0
82.25002	6.3
83.06110	7.8
83.08603	14.2
84.04500	47.9
84.08148	29.6
85.02887	21.1
85.06512	9.5
87.00829	9.2
88.03952	8.6
91.05462	19.2
93.07040	56.5
95.04977	8.5
95.08601	84.7
97.06530	15.5
97.10133	8.0
102.05532	13.8
105.07037	18.4
107.08589	52.3
109.06460	6.8
109.10165	41.2
111.11712	20.4
112.91870	5.6
119.08579	16.4
120.08035	6.4
121.06522	7.5
121.10146	41.9
123.11730	50.1
127.03934	9.4
129.06580	20.0
129.10240	13.7
130.05017	31.2
130.06528	10.3
131.08510	6.6
133.10133	17.7
135.11694	31.8
137.13292	28.3
139.11133	17.9
145.04965	7.5
145.10109	6.6
147.07637	14.8
147.11644	8.6
149.13226	30.2
151.07550	34.2
159.03017	7.1
161.13243	9.4
163.14804	12.1
191.10735	8.4
219.21083	12.7
277.25391	8.5
289.25241	39.9
295.26410	37.4
299.05487	11.6
307.26297	91.7
325.27390	10.6
420.77441	6.4
591.27985	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	591.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
55.05513	17.2
56.05018	6.7
57.03438	4.4
57.07059	7.8
57.65189	2.2
61.02940	3.1
65.03909	2.4
67.05508	18.1
69.03438	13.1
69.07066	100.0
70.06592	26.4
71.04992	4.0
71.16330	4.9
72.08149	2.5
74.02433	2.2
74.06056	2.3
79.05499	10.2
81.03432	10.4
81.07053	50.5
81.75260	2.3
83.04961	4.1
83.08615	12.3
84.04494	16.9
84.08144	33.1
85.02897	16.1
85.06535	8.7
86.09704	4.8
87.00810	9.0
88.03971	5.9
91.05474	12.0
93.07053	21.0
95.04964	15.4
95.08603	40.0
97.02877	10.0
97.06532	8.2
97.10159	4.2
99.04479	3.8
99.08054	6.3
102.05532	9.3
105.01843	5.7
105.04538	2.4
105.07040	12.4
107.08592	17.7
109.02879	5.4
109.06499	5.3
109.10163	28.0
111.08041	5.1
111.11701	21.4
117.07050	2.3
119.08593	13.3
120.08090	2.6
121.06525	3.6
121.10136	18.1
123.08010	2.7
123.11702	23.0
127.03934	11.4
127.11179	5.1
129.10265	12.5
129.12679	2.5
130.05031	4.5
130.06490	3.1
131.08563	5.2
133.10130	5.8
135.08035	2.9
135.11673	11.4
136.07549	5.7
137.09604	3.0
137.13228	3.8
139.11180	21.8
145.05051	2.6
145.06036	12.4
145.10094	5.4
146.06461	2.2
147.11685	7.9
149.13245	9.2
151.14792	4.1
153.12794	2.7
157.12225	5.2
159.02890	2.8
159.11700	6.6
161.09596	2.0
161.13242	7.7
163.11148	3.9
165.12811	4.7
172.06145	2.1
175.14818	3.4
179.14314	6.1
189.12601	2.4
217.08264	3.7
231.04961	2.3
235.85857	2.0
237.18613	2.3
271.24234	2.7
277.25391	4.5
289.25253	10.3
295.26334	26.5
299.05396	3.0
307.26294	60.5
325.27481	12.6
333.80362	2.1
507.75250	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	590.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.8
57.03436	16.3
57.07084	35.0
67.05507	18.7
69.07062	10.5
69.35583	38.9
71.08633	30.1
72.65748	4.0
75.43467	4.3
79.05501	14.5
81.03419	61.2
81.07044	22.7
83.08633	16.3
85.10188	15.1
89.06017	4.5
91.05481	16.3
93.07019	8.9
95.04970	17.7
95.08608	18.5
97.10191	6.5
98.20938	17.9
105.07010	20.2
109.10144	12.0
111.08089	5.6
119.08584	12.6
121.10166	6.7
129.07027	8.3
131.08577	12.3
133.10123	8.7
175.11259	6.5
193.12300	23.4
204.52924	5.2
267.15939	100.0
309.08002	4.6
313.27383	95.4
314.27692	11.6
320.01309	4.6
341.88870	4.3
505.38925	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73260	1.0
65.95887	0.9
66.03749	0.9
67.05517	0.9
69.24978	10.2
71.08606	1.1
81.07074	1.5
93.07054	1.2
95.08593	1.1
95.93098	0.9
112.04337	1.0
121.78706	0.9
146.70406	0.9
266.30591	0.9
284.97794	1.1
313.27432	1.1
400.16910	1.0
414.18503	1.6
415.19183	4.8
416.19775	2.2
429.20676	7.8
430.21503	4.2
431.22516	1.8
443.22598	2.3
444.23306	7.3
445.23895	3.6
457.19797	1.1
459.21463	3.4
459.26373	2.0
472.22595	2.3
473.23492	6.1
474.24173	3.2
485.23087	1.6
487.24896	22.6
489.22754	2.0
503.25571	1.8
515.24408	1.9
531.23950	14.9
532.24500	5.2
591.26007	100.0
592.26196	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2601
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
54.51223	0.9
67.05512	1.5
69.01594	1.0
70.12600	1.0
79.05508	1.0
81.07050	1.3
83.08637	1.0
92.77650	0.9
95.08616	1.2
98.21326	5.0
117.90355	0.9
121.10312	0.8
136.47630	0.8
176.36012	0.9
181.15596	1.0
270.66122	0.9
284.04657	0.9
413.17914	1.3
415.19327	4.0
416.20059	1.8
428.20630	1.5
429.21014	5.9
430.21704	3.8
431.22507	1.6
443.22748	2.6
444.23486	6.3
445.23785	4.1
459.20715	1.6
459.25552	3.9
472.22540	3.3
473.23578	5.4
474.24268	2.8
485.23761	1.8
487.25067	22.2
489.22937	2.3
503.24338	1.8
515.24152	1.7
516.22198	1.0
531.23920	14.5
532.24591	4.4
548.23590	1.0
591.26031	100.0
592.26123	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	590.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.0
55.05501	3.7
56.05034	1.8
57.03431	1.7
57.07065	2.1
60.04529	42.4
61.02921	2.4
67.05209	1.4
67.05508	12.7
69.03431	9.5
69.07060	2.7
70.40963	3.4
70.41315	2.6
71.05001	1.8
73.02914	1.8
78.27177	1.1
78.53641	1.1
79.05490	5.2
81.03407	5.2
81.07057	6.2
82.06588	8.6
83.04987	1.4
83.08613	5.5
85.02911	15.1
91.03950	1.8
91.05469	3.8
93.07045	12.7
94.06566	11.2
95.04972	16.3
95.08599	4.9
96.08129	1.6
97.02905	4.4
97.10194	1.8
98.09708	3.2
103.05466	1.9
108.08115	3.2
109.02860	1.7
110.05998	1.9
110.09682	6.4
111.08080	3.3
112.07627	1.9
120.08114	5.3
121.06524	6.9
126.09109	7.2
127.03938	2.8
136.06198	3.7
138.09140	36.6
139.07527	9.8
156.10197	21.2
174.11288	5.3
198.69495	1.3
203.92453	1.5
266.24753	3.7
272.25903	7.0
314.26990	4.3
361.14606	1.3
392.31485	2.0
410.32657	23.2
428.33710	100.0
429.34073	1.9
522.72290	1.3
568.60315	1.6
590.39001	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	588.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	22.6
55.71315	5.7
57.03429	15.7
57.07061	21.2
67.05490	18.5
69.07054	20.0
69.12529	5.4
71.08642	9.4
71.12414	8.7
73.87073	5.3
79.05473	14.3
81.03412	52.7
81.07038	18.5
83.04970	7.3
83.08607	23.9
85.52876	5.3
85.68455	6.2
87.27143	5.6
91.05476	15.0
93.07034	12.6
95.04949	14.6
95.08598	11.1
97.10140	12.2
98.21285	6.4
105.07004	7.2
107.08600	6.9
109.06540	5.5
119.08568	10.4
131.08562	9.6
140.59093	5.6
157.10118	7.0
175.11200	7.4
193.12193	15.9
267.15915	100.0
311.25723	45.9
503.37238	48.7
588.47162	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	589.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
54.23394	0.7
55.01859	1.9
57.03439	1.1
61.02927	0.9
68.99791	0.9
69.03432	9.3
70.06596	5.7
71.04962	0.7
71.58056	1.0
72.08146	1.7
73.02913	1.2
79.05486	1.5
81.03420	8.2
81.07058	1.4
81.12944	0.7
84.08151	2.3
85.02907	16.1
86.09704	2.5
87.00822	4.4
87.38439	0.8
90.24906	0.7
91.05495	4.6
94.04172	3.5
97.02895	5.0
99.04453	2.6
102.05553	0.7
103.05463	1.9
105.01868	3.5
105.07053	6.8
107.04945	1.0
109.02882	7.3
109.06521	1.3
115.03953	0.8
115.05446	4.2
117.07034	1.4
119.04950	0.7
119.08592	1.9
120.08128	1.7
122.03647	6.5
127.03920	12.8
128.06239	2.1
129.01831	1.1
129.07018	1.8
129.10231	1.2
130.06476	1.0
131.04933	2.4
132.05696	2.4
133.06503	4.9
137.05983	100.0
138.06351	0.8
139.88191	0.8
143.05003	0.7
144.05772	0.9
145.04971	2.6
145.06477	1.4
147.02898	0.9
147.04398	1.2
147.08025	3.6
149.05994	1.6
149.63081	0.7
151.07573	0.9
155.04926	1.0
159.02933	4.7
159.08086	3.4
160.05255	2.0
161.05994	17.8
163.07594	1.0
171.07970	0.9
172.05174	1.3
175.07556	32.7
177.05627	0.9
179.07089	1.7
184.05212	0.7
187.07529	8.7
189.03940	0.8
190.07768	2.5
191.08563	6.8
199.07507	5.5
202.07697	4.2
203.06845	1.0
203.08562	6.0
205.06538	1.0
217.08557	1.0
218.07332	1.9
219.08041	10.7
220.08926	2.2
221.09569	0.7
229.08766	0.9
230.07433	0.9
231.05061	2.0
231.08070	9.7
231.10162	0.8
232.08818	1.8
233.09810	1.0
235.07565	2.0
236.08420	1.5
237.09322	1.0
247.07536	5.9
248.08325	5.1
249.09085	1.3
251.10703	14.6
259.07523	6.6
260.08389	3.2
261.09213	2.5
263.07086	0.9
263.10690	4.5
265.08517	0.9
276.07928	2.9
277.08670	1.7
279.10162	9.8
280.10715	1.3
291.10196	14.2
292.10864	2.2
295.13358	0.9
296.10315	0.9
303.10150	1.2
308.10461	1.8
311.12787	30.8
321.11316	1.8
323.12790	26.1
323.16620	1.3
333.11209	1.2
335.12744	1.7
353.13824	1.0
365.13925	1.1
377.13901	1.0
401.13995	1.0
588.40887	2.3
589.23395	1.7
589.41412	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
55.05511	9.5
56.05030	1.9
61.02919	0.7
69.07071	1.3
69.80419	3.1
70.02951	3.0
70.06595	4.0
72.08159	100.0
81.03419	1.6
82.06651	0.5
83.04968	0.9
83.06099	5.6
84.04507	21.9
84.08153	1.8
85.02898	0.7
86.09711	15.3
86.72558	0.5
87.05605	5.3
87.52052	0.5
88.03996	4.7
91.05495	0.6
93.07071	0.6
95.08611	0.8
96.04495	1.2
97.04038	0.9
98.02409	2.8
101.07146	4.6
102.05526	0.5
112.03992	0.7
113.03456	0.6
117.10265	18.1
124.03974	0.8
128.04601	0.6
129.10309	1.2
132.10196	3.8
135.03032	1.2
136.03981	0.7
136.06226	1.6
137.09593	0.7
138.09169	1.3
139.05013	3.1
141.06595	0.8
141.10258	0.8
143.04550	2.1
144.71350	0.6
147.04407	1.2
150.01944	1.0
152.05701	35.2
152.07037	3.9
153.04114	3.3
155.04497	1.2
155.11783	0.8
157.06142	1.7
165.09056	0.7
165.89635	0.5
166.08664	2.0
167.04561	1.4
169.09764	0.7
180.07704	0.9
181.06067	3.4
183.11311	0.8
184.07205	3.3
184.67035	0.6
185.05606	3.0
194.08170	6.5
195.04082	1.1
197.10402	1.3
198.08821	1.2
200.14035	1.5
201.12384	1.6
202.08264	3.6
209.05589	1.3
211.10785	8.0
212.06848	1.1
212.09290	1.5
213.05101	1.1
225.09903	1.6
226.08244	3.5
228.13454	28.9
229.75011	0.6
230.07729	17.9
230.09892	1.1
243.11032	2.4
247.12891	3.1
267.09879	0.8
280.12952	0.9
281.11450	0.6
285.11035	0.6
323.09946	0.8
324.08362	1.1
325.15164	1.7
326.13644	1.3
327.12021	1.5
340.12698	1.3
341.10971	3.0
342.17697	5.3
343.16129	3.4
344.14554	2.8
358.13712	1.6
361.17148	15.8
391.15750	0.8
408.18765	1.7
426.19913	9.1
440.17828	2.6
454.19443	1.8
457.20520	9.5
471.22061	1.9
472.20618	2.2
489.23270	2.1
525.27332	0.7
542.29846	0.7
553.26062	1.4
571.27020	3.0
588.29486	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	588.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	2.8
55.01869	5.7
55.05504	8.7
56.05029	3.9
57.03427	2.8
58.99584	14.6
65.18188	1.8
67.05497	14.7
69.03425	3.2
69.07065	4.8
69.85687	5.9
69.86121	6.3
70.02953	17.2
70.06593	4.7
71.01335	2.0
74.00657	5.2
74.88573	1.8
76.01820	3.9
76.02229	45.8
76.04003	9.5
79.05495	24.1
80.05032	3.0
81.03418	4.0
81.07054	57.5
83.04989	3.6
83.06091	3.6
83.08582	2.8
84.04502	24.7
84.08147	4.4
85.01149	3.4
85.02898	3.7
86.00654	3.3
86.09701	7.3
86.99061	5.8
88.02222	4.1
88.36430	2.2
91.05479	11.3
93.07059	13.8
95.04973	6.0
95.08608	35.1
97.01115	15.0
97.06485	3.6
98.09670	4.0
98.20854	5.1
99.05605	5.1
99.08084	2.9
100.02223	2.2
102.00137	3.9
105.07034	11.1
107.04969	3.5
107.08597	8.1
108.34706	2.1
109.06490	3.0
111.08084	3.1
112.02239	2.8
113.00582	3.8
114.00035	2.3
116.01688	25.5
116.03408	2.6
119.08591	8.1
120.08033	3.1
121.06538	4.9
121.10120	2.8
123.08051	36.4
125.09669	2.4
129.06638	4.1
130.04973	10.6
130.06537	6.9
131.08588	4.2
133.06493	6.2
135.08061	7.1
141.03685	8.4
141.09102	5.1
142.03194	8.7
143.08559	2.4
144.01131	10.0
144.08121	4.1
145.06073	100.0
145.10063	2.6
146.06021	3.4
147.08014	2.7
147.11678	2.6
151.07536	32.2
159.04770	2.9
161.87062	2.0
162.02208	28.8
165.09125	4.4
170.02727	4.8
172.07555	2.9
175.11246	3.0
177.03287	5.9
179.04861	56.9
181.06075	2.1
199.07205	4.3
208.07990	3.2
222.09445	3.1
226.08951	9.0
227.14316	2.4
233.05969	9.7
244.10068	2.5
245.15413	3.5
253.13377	5.6
263.16418	20.7
274.10416	2.7
281.12830	21.3
281.17545	6.2
283.11191	3.0
308.08997	16.0
311.10587	5.9
329.11401	3.9
338.17841	7.7
343.13275	4.6
356.18768	16.0
423.19449	16.7
441.20575	35.2
442.19144	2.3
459.21487	7.9
513.22467	11.4
522.49463	2.5
545.86566	2.2
570.25098	4.4
588.25470	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	587.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
54.90409	1.5
55.01144	1.7
55.01864	2.4
55.05512	21.8
56.19606	1.6
57.03429	7.0
57.07077	11.2
61.29441	1.6
65.03933	2.0
67.05167	2.7
67.05506	49.2
69.07066	25.7
69.77395	3.9
69.77799	6.5
71.08620	7.7
79.05499	30.7
81.07060	53.1
83.08633	15.8
85.06551	2.2
85.10170	6.3
91.05484	27.1
93.07051	38.0
95.04971	4.7
95.08607	39.9
97.06513	5.1
97.10160	8.9
98.21466	3.3
99.08123	3.7
105.07030	25.6
107.08592	22.9
109.06536	1.9
109.10171	19.0
111.08076	4.1
111.11730	2.7
117.05441	2.1
117.07043	5.4
119.08586	26.3
121.10149	19.3
123.11678	8.5
129.06989	4.2
131.08578	16.3
133.10139	24.4
135.11703	15.9
137.09587	2.2
137.13295	1.9
139.11177	2.1
139.37814	1.6
143.08580	2.7
145.10144	14.4
147.11688	15.8
149.09656	2.9
149.13229	8.8
151.14894	2.0
155.08487	1.9
157.10146	5.7
159.11716	8.7
161.13281	12.0
163.11232	2.0
163.14815	3.0
171.11728	4.4
171.31688	1.8
173.13295	7.3
175.14853	5.5
177.16382	2.2
179.14244	2.5
183.11691	2.6
185.13289	5.1
187.14850	5.8
191.17950	3.3
199.14937	2.1
201.16447	2.8
213.16568	2.9
215.18016	2.8
217.19579	2.9
219.17593	2.3
219.21136	2.6
229.19339	2.7
231.17586	4.5
233.19061	5.1
241.19521	4.4
259.20676	9.3
261.22003	4.0
275.20029	4.1
289.22028	2.0
295.22635	2.0
307.22690	5.5
309.24420	6.7
311.25946	8.1
318.05664	2.1
333.24451	6.0
335.25851	5.4
337.27472	4.5
339.28851	2.1
477.41055	2.8
495.41870	7.5
569.45837	12.4
587.46722	100.0
588.48016	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	588.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15902	0.7
52.81128	0.7
55.01863	1.6
55.05524	0.7
56.05027	1.1
67.05498	1.1
69.07056	1.5
70.06589	3.9
70.24130	1.9
70.24480	1.5
72.08154	1.4
74.00677	0.8
76.02203	0.8
79.05480	2.7
81.03397	1.6
81.07042	1.4
83.89278	0.9
84.04507	5.9
84.08147	1.4
85.02866	1.1
85.04032	2.2
86.00634	0.7
86.09698	2.0
91.05486	1.0
93.07046	1.1
94.06576	2.3
95.04920	1.0
98.20811	1.0
103.05443	0.8
105.05767	1.1
106.06562	2.2
110.07191	0.8
111.02705	1.6
120.08139	1.4
124.07603	1.0
125.02931	2.0
128.05273	1.3
129.10219	1.2
130.04973	3.4
130.06531	45.8
131.04541	1.6
131.06842	0.8
133.10152	1.2
135.02631	1.4
135.08072	1.0
138.03728	28.5
145.06094	1.5
150.03740	4.2
151.06285	5.4
152.05281	1.0
152.07086	6.0
156.04799	5.6
164.05281	3.0
165.07762	0.8
166.03200	2.1
170.02678	2.1
171.11499	0.7
176.05278	1.1
177.03284	7.1
179.04861	1.0
181.06015	1.3
184.04279	100.0
185.03809	1.3
186.05795	0.9
192.04816	1.2
196.04286	9.7
198.05867	6.3
203.04709	0.9
210.05867	7.3
222.05913	2.5
227.08537	3.7
231.04343	6.2
236.14087	0.8
237.06915	1.8
238.05331	8.7
250.05342	2.6
255.07928	4.6
263.16476	5.2
267.07950	2.3
272.18851	1.0
281.12811	2.2
293.09607	2.0
308.08990	1.3
313.09906	3.4
330.11191	38.9
342.11227	6.1
382.45929	0.8
384.12167	5.9
396.12091	2.5
440.71194	0.8
459.15451	19.7
471.15323	2.9
496.72864	0.8
509.20898	0.8
551.20477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.01865	3.7
55.05513	6.5
57.03434	1.6
58.99578	5.9
67.05505	10.3
69.03416	2.3
69.07072	15.9
69.73714	1.0
70.02932	1.3
70.06573	3.5
71.05001	6.1
72.08113	1.1
73.06569	1.9
76.02232	24.2
76.04018	1.0
79.05489	16.1
81.03419	68.1
81.07057	18.2
83.04976	10.5
83.08589	1.6
84.04509	7.7
84.08134	1.5
85.02887	3.0
86.09695	1.6
91.05481	21.7
93.07043	16.0
95.04970	6.3
95.08605	8.8
97.02907	1.1
97.06551	6.0
99.04473	1.3
99.08027	1.1
105.07029	13.7
107.04951	4.1
107.08580	5.8
109.06496	3.1
109.10137	4.0
113.06023	2.8
115.07594	1.3
116.01668	6.5
117.07005	5.1
119.07775	2.0
119.08581	25.1
121.06493	7.4
121.10130	4.0
123.08077	9.4
125.05972	1.4
125.09636	3.8
129.06992	3.6
130.05002	4.9
130.06520	1.6
131.08556	3.5
133.06473	2.1
133.10126	4.7
135.08028	3.6
137.06032	1.1
137.09612	25.5
141.05524	1.4
142.03236	3.5
143.07024	8.0
143.08540	1.7
144.01129	2.8
145.06075	3.4
145.10092	3.0
147.08043	12.8
147.11649	1.4
149.09624	4.8
151.07567	1.1
153.09100	5.2
157.10123	4.4
159.11716	2.5
161.08090	3.0
161.09471	2.0
162.02182	12.5
163.11136	1.7
165.09117	44.1
171.11661	1.2
173.13251	1.7
175.11200	1.3
175.14842	1.5
177.09123	1.7
179.04860	28.2
179.06427	1.8
181.08575	2.4
183.10173	100.0
189.12749	1.3
189.16420	1.4
195.10167	4.8
199.14874	5.9
211.09622	1.5
215.04996	1.2
217.15915	8.0
227.14320	2.9
233.05937	7.1
244.09605	1.0
245.05925	1.5
245.15384	6.2
255.12975	1.3
263.16443	23.6
263.88480	1.1
267.15775	1.1
281.17331	7.3
291.06555	1.1
304.81787	1.0
308.09103	29.3
445.49554	1.2
478.82471	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01859	1.9
55.05511	19.7
57.03452	5.9
57.07062	4.0
58.65680	1.1
61.86438	1.0
67.05505	55.8
69.03396	1.1
69.07063	20.0
71.04969	2.3
71.08618	2.2
74.29095	1.1
79.05493	37.7
80.82715	1.4
81.07059	55.1
83.04981	2.7
83.08620	11.2
85.06516	1.6
89.06052	1.6
91.04977	1.0
91.05479	26.0
91.27377	1.1
93.06464	2.3
93.07046	38.5
93.07628	2.1
95.04408	1.2
95.04977	4.9
95.08607	44.4
97.06544	3.6
97.10173	5.5
98.21526	2.4
99.08073	1.5
103.05438	1.4
105.07030	31.4
107.04935	2.1
107.08595	24.5
109.06549	1.8
109.10155	25.1
111.08071	2.8
117.07011	9.9
119.08584	25.6
121.10144	19.6
123.08090	1.9
123.11706	8.1
125.09673	1.4
128.06198	1.7
129.07010	5.8
131.08578	22.5
133.10136	24.6
135.11691	14.2
137.13248	2.7
139.11140	1.4
141.06989	2.3
143.08582	7.6
145.10130	20.4
147.11708	18.9
149.09619	2.3
149.13277	8.5
155.08562	3.2
157.10121	10.0
159.11708	16.8
161.09622	1.4
161.13232	8.6
163.11258	1.9
163.14821	4.7
167.08606	1.6
169.10152	4.0
171.11673	9.2
173.13289	12.1
175.14835	6.5
177.12785	2.0
179.14319	3.5
183.11739	3.6
185.13272	6.8
187.14809	8.5
189.16402	3.0
197.13350	3.7
199.14838	3.9
201.16414	3.8
203.17943	3.2
211.15001	2.3
213.16443	5.2
215.17834	5.8
217.19551	2.6
217.46523	1.2
227.18073	2.5
229.19402	1.8
231.17329	2.8
233.19093	3.7
237.16493	1.4
241.19746	1.6
259.20618	3.6
261.22195	5.0
273.22348	2.0
275.20154	1.9
305.21259	1.8
307.22760	5.2
309.24432	4.1
333.24258	4.0
335.25827	7.1
337.27365	3.2
423.32980	1.3
475.34073	2.0
493.40515	8.2
511.41739	3.3
567.44037	13.8
585.45160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	23.5
57.07074	11.7
57.74381	6.6
67.05505	42.6
67.31136	8.0
67.91327	7.3
69.07066	32.0
70.06569	6.7
71.58429	9.3
74.33575	5.8
79.05502	48.4
81.07061	58.9
83.08618	11.1
89.06037	8.3
91.05488	34.3
91.72546	7.1
93.07052	46.9
95.08610	51.1
100.58996	6.1
105.07021	32.2
107.08595	24.6
109.10133	23.0
117.06985	13.9
119.08574	25.8
121.10122	25.2
129.06966	7.5
131.08553	17.9
133.10120	21.1
135.11719	12.6
137.13318	6.8
145.10124	20.2
147.11678	17.2
157.10081	10.3
159.11699	11.8
161.13272	9.3
163.14793	7.0
171.11690	10.0
173.13280	16.2
175.14809	7.1
193.51878	7.4
239.90811	6.7
273.93942	7.5
275.20059	11.0
276.50635	6.4
307.22375	6.6
309.24152	7.4
314.77493	6.6
420.82175	7.0
493.40363	10.1
567.43927	8.6
585.37262	9.0
585.44861	100.0
585.56171	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
53.60287	0.8
55.01865	2.3
55.05509	15.7
55.05752	1.8
57.03440	5.1
57.07065	3.4
60.93457	1.0
67.05505	47.7
69.06721	1.2
69.07068	16.9
69.35706	5.2
69.36140	3.6
70.33378	0.9
71.04984	2.2
71.08620	1.3
79.05051	1.8
79.05494	30.1
81.07059	51.2
83.04963	1.1
83.08619	11.4
85.06520	1.8
87.08824	0.9
91.05479	23.0
93.07043	38.3
95.04967	3.3
95.08608	39.8
97.06517	3.5
97.10164	5.4
99.08096	2.2
104.67169	1.0
105.07033	25.5
105.26918	0.9
107.08601	24.4
107.09285	2.1
109.06509	2.3
109.10152	20.5
111.08081	1.8
111.11711	1.9
117.07010	10.5
119.08585	24.6
121.10148	19.8
123.08097	1.1
123.11730	8.8
125.09628	1.3
128.06227	1.2
129.07008	5.2
130.07759	1.1
131.08578	17.3
133.09131	1.1
133.10133	22.2
135.07986	1.4
135.11700	16.4
137.09596	1.7
137.13274	3.2
141.06972	1.7
142.07751	1.5
143.08594	8.0
145.10127	19.3
147.05385	1.0
147.11684	18.6
149.09647	1.7
149.13249	7.2
151.14847	1.2
155.08589	1.8
157.10143	6.8
159.11671	13.4
161.09758	0.9
161.13231	9.6
163.11189	0.9
163.14854	3.6
169.10187	3.7
171.11717	10.4
173.13261	13.8
175.14868	5.4
177.16440	1.4
183.11726	3.2
185.11768	1.5
185.13240	6.7
187.14850	7.3
189.03973	1.3
189.12779	1.0
189.16434	3.7
191.18033	1.4
197.13271	2.8
199.14861	4.1
201.16426	3.5
203.18011	2.6
211.14871	1.6
213.16460	5.0
215.18004	5.1
217.15961	1.1
217.19508	1.8
219.17513	1.4
223.14832	1.4
225.16525	1.1
231.17419	4.7
231.20972	1.1
233.19102	4.8
235.20624	1.1
241.19551	2.2
243.21222	1.8
257.19266	1.3
259.20700	3.5
261.22180	5.4
269.18951	1.1
275.20129	2.3
279.22971	1.4
285.22131	1.5
287.23740	1.1
291.42834	1.2
301.25223	1.4
305.21252	1.3
307.22623	7.8
309.24197	6.3
317.24661	1.4
327.26852	1.3
333.24280	3.4
335.25818	6.6
337.27484	3.7
355.30017	1.3
367.29544	1.2
423.32831	1.3
447.31097	1.3
473.36700	1.3
475.39780	1.7
493.40369	6.9
503.54767	1.1
511.41476	3.3
512.40393	1.4
515.37262	2.1
567.44000	12.5
585.45148	100.0
586.45636	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	584.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98742	4.7
53.03931	5.3
55.05512	21.1
57.07063	20.0
58.27402	4.2
58.58101	4.4
67.05511	30.0
69.03426	6.4
69.07070	20.9
70.00476	13.1
70.00895	8.6
70.06562	6.6
71.04963	5.2
71.08607	5.7
76.12000	4.2
79.05499	34.5
81.07056	39.1
83.04980	6.8
83.08593	12.4
85.06508	5.4
87.24554	3.9
89.06053	25.2
91.00488	4.1
91.05484	35.4
93.07051	51.6
95.04969	8.7
95.08607	36.1
96.08959	6.1
97.06516	6.4
98.21027	9.8
102.09129	4.2
105.06373	6.1
105.07027	67.1
107.08592	35.9
107.54039	4.8
109.06532	6.2
109.10139	20.4
110.10519	4.3
117.07001	19.9
119.08587	87.3
121.06469	9.1
121.10149	32.5
123.08070	15.7
128.06212	9.1
129.06989	17.5
130.07785	5.5
131.08571	47.1
133.08633	25.8
133.10117	38.8
135.08064	11.8
135.11667	12.6
137.09641	11.2
142.07744	20.2
143.08621	33.3
144.09242	9.5
145.10129	55.1
147.08047	17.8
147.11674	16.4
149.09589	7.9
151.07539	7.9
155.08536	14.6
156.09294	13.9
157.10147	47.1
158.10809	7.2
159.11687	32.6
161.09668	6.0
161.13278	8.3
163.11220	10.1
165.07004	5.1
165.09065	24.6
167.08566	9.1
169.10120	17.8
170.10895	8.4
171.11646	27.8
172.12468	7.6
173.13248	21.8
175.11183	12.2
175.14807	6.2
177.11185	5.0
179.08517	6.2
181.10063	9.3
181.12251	8.1
182.10825	5.3
183.11667	19.3
185.13245	13.7
187.14835	8.0
193.10185	9.6
193.73155	5.0
195.11673	18.4
197.13239	18.2
199.14877	7.2
201.12581	5.8
203.14302	15.4
207.11708	8.4
207.13745	6.4
208.12286	4.4
209.13223	13.5
211.14807	11.8
213.16362	6.4
217.15897	5.4
221.13306	9.2
221.15321	60.7
222.13843	5.8
223.14793	8.3
234.16023	5.9
237.16373	7.7
247.16911	9.2
257.31467	4.8
299.20114	6.9
300.20410	5.5
300.28925	7.4
311.19986	4.7
311.29388	20.0
325.21667	10.7
337.21555	10.1
352.23923	61.0
365.24713	13.0
371.22775	12.2
391.00528	4.4
397.27756	4.9
398.28467	4.3
404.30820	7.7
412.29846	26.1
438.31210	13.7
441.28760	4.8
491.34805	12.2
504.36023	100.0
534.01038	4.4
584.43170	42.5
584.55756	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	584.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.56939	0.5
58.99587	0.8
61.01156	1.0
70.06580	0.7
70.18384	1.2
70.18783	1.0
71.06121	7.8
72.04518	2.5
74.00667	1.7
76.02217	1.0
76.03992	1.1
77.00632	7.4
78.03800	3.5
83.06097	1.6
84.04499	5.3
85.04017	5.2
85.06537	0.8
86.00639	1.2
86.06062	2.0
86.09738	0.5
92.01712	1.7
92.98347	3.0
95.04981	0.9
98.06047	0.7
99.05571	2.1
100.07645	0.6
102.03758	3.7
103.02165	0.6
107.06093	0.7
107.99425	0.9
109.07661	3.6
110.00961	2.5
112.03986	1.2
112.18362	0.6
113.01733	0.9
113.03503	2.1
113.06004	1.7
114.03769	0.9
115.08690	0.7
118.03249	20.3
120.04778	2.8
124.07578	1.7
129.06604	1.2
130.03233	8.9
130.04976	5.5
131.02832	0.7
131.04533	11.9
131.06314	3.0
132.04797	2.6
134.00957	1.7
135.05597	0.6
139.03297	1.3
140.01637	1.2
141.06598	0.5
142.08658	3.8
145.06094	1.2
147.05879	43.3
149.07449	19.8
150.00397	0.7
153.06601	2.4
155.04593	0.7
155.08148	3.4
157.04277	0.7
157.10966	0.5
159.02260	2.2
160.00673	1.0
162.00459	0.8
164.01990	1.6
174.42645	0.5
176.02013	1.7
177.03300	20.3
181.04636	5.4
181.06111	4.0
183.11301	0.9
184.09695	3.0
185.03818	13.0
191.03151	0.6
199.07176	3.8
205.04646	1.6
209.00493	4.7
213.12286	1.0
222.07268	1.3
231.04359	26.6
242.05968	0.8
243.04410	0.6
254.06369	3.1
256.09256	1.6
257.07672	1.5
259.11346	1.1
260.58267	0.6
261.12656	0.7
268.07849	2.0
288.06589	5.3
293.09741	2.6
296.07410	1.9
308.07175	2.6
325.10001	100.0
326.10229	1.0
331.40024	0.6
361.09949	1.1
379.10965	5.1
380.87445	0.6
391.11124	1.3
436.13260	7.8
437.15314	10.1
454.14258	20.6
456.10214	0.6
509.17331	1.9
533.33588	0.6
548.18567	0.9
566.19470	8.8
584.20490	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	584.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20047	1.6
53.03943	4.1
53.69232	1.6
54.43259	1.7
55.05510	11.5
57.07083	13.3
59.05008	3.1
65.03947	2.3
66.08990	1.7
67.05507	25.9
69.03422	4.2
69.07075	13.7
70.06583	4.8
71.08625	2.6
78.54652	1.9
79.05481	21.7
81.07061	35.1
82.07392	3.5
83.04984	5.0
83.08615	7.3
85.06528	5.1
85.10159	2.1
88.07636	2.7
89.06041	4.1
91.05482	41.6
91.35841	1.6
92.05800	2.3
93.07045	50.3
93.73234	2.1
94.07335	2.6
95.04970	11.4
95.08607	32.9
96.08925	2.3
97.06537	4.2
97.10194	2.3
98.20792	5.6
99.08103	1.7
103.05428	2.8
105.07033	62.6
106.07346	4.4
107.04913	1.9
107.08597	37.6
108.08900	4.3
109.06565	9.0
109.10148	18.1
111.08080	2.2
115.05466	5.2
115.11575	1.9
117.07063	13.2
119.08583	61.0
120.08849	1.9
121.06514	5.8
121.10143	32.8
122.10458	4.8
123.08081	14.5
123.11685	5.7
124.08344	2.3
124.11933	2.4
125.09627	1.8
128.06227	11.4
129.07030	14.4
130.07762	4.4
131.08577	33.7
132.10220	2.6
133.08589	2.7
133.10136	36.3
135.08058	10.0
135.11725	14.1
137.09666	9.1
139.11182	2.7
141.06999	6.6
141.43626	1.9
142.07785	19.3
143.08562	32.2
144.09277	7.6
145.06500	2.5
145.10130	50.8
147.08064	13.9
147.11691	16.3
148.08452	4.9
149.09641	6.8
149.13280	4.6
151.07558	13.0
151.11211	3.1
152.07932	4.4
153.07008	3.2
154.07680	3.5
155.08575	12.9
156.09351	15.5
157.10136	38.8
158.10677	7.5
159.08028	12.7
159.11699	24.9
160.12192	3.4
161.08493	2.5
161.09579	11.5
161.13272	8.1
162.13583	2.4
163.11166	5.7
164.11497	2.3
165.07019	5.8
165.07831	2.0
165.09119	21.6
165.12831	2.3
166.09474	5.9
167.08582	8.2
167.10713	3.3
168.09282	6.0
169.10136	19.3
170.10806	6.8
171.11687	27.2
172.12230	4.4
173.09650	3.6
173.13229	21.4
174.13847	2.9
175.11192	6.0
175.14856	11.4
177.12784	2.6
179.08551	6.9
180.09305	5.3
181.10121	15.6
182.10866	9.1
183.11694	22.2
184.12250	3.5
185.09595	2.5
185.13255	14.0
186.13708	5.7
187.11134	4.4
187.14839	8.3
189.12726	7.1
190.13312	2.1
191.14310	3.2
192.09262	2.3
193.10121	10.4
194.10837	8.7
195.11705	15.6
196.12328	8.5
197.13271	18.6
198.13799	3.8
199.11192	3.4
199.14864	10.9
200.15263	2.3
201.12749	3.6
201.16458	4.4
203.14362	7.2
204.14603	4.5
205.10095	2.2
206.10890	2.8
207.11717	12.3
207.13747	5.0
208.12350	6.1
209.13264	18.1
209.15157	2.9
210.13818	6.4
211.11356	2.6
211.14825	10.5
212.15302	4.0
213.12843	4.0
213.16428	5.2
217.16006	3.0
219.11694	6.2
219.17487	2.3
220.12372	3.3
221.13260	12.1
221.15425	29.7
222.13940	3.4
222.15746	16.1
223.11302	2.3
223.14835	11.9
223.35426	2.0
224.15411	6.2
225.12758	3.5
225.16417	5.1
226.16832	2.0
227.14252	2.2
227.17987	2.2
229.15779	2.7
229.59113	2.1
231.17419	2.3
232.12306	2.5
232.17920	2.0
233.13219	4.7
233.15431	7.8
235.14883	6.6
236.15218	4.3
237.16342	9.2
239.18053	5.1
245.13271	3.4
246.13972	2.3
247.14806	5.8
248.15399	3.1
249.16455	7.0
251.17993	3.9
253.15938	3.5
255.17331	15.0
256.26389	3.1
257.13321	3.1
257.19012	5.8
259.14771	3.3
261.16565	5.1
263.17941	4.0
265.16467	1.8
265.19513	5.1
269.19043	3.0
270.19681	3.0
271.14734	2.6
271.20493	2.7
273.16183	3.4
275.17828	3.7
277.19470	2.3
279.17471	2.6
279.21155	2.4
281.19131	2.1
283.20535	2.9
283.26593	2.8
285.21988	2.5
291.20923	2.7
295.20639	2.6
296.20996	2.4
297.22284	4.9
298.22443	2.7
300.29034	7.7
301.19421	2.9
305.18985	2.3
311.29370	10.0
319.20877	2.5
328.32083	2.3
335.23697	1.9
345.22162	2.5
347.23672	2.3
360.24362	1.9
360.49478	2.1
365.24902	2.0
367.26392	3.2
403.29974	2.5
404.30399	5.8
492.36005	5.0
504.35510	4.3
548.39819	2.5
566.40833	30.9
584.41895	100.0
584.55676	31.0
585.41443	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	583.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01869	3.6
55.05515	20.7
57.03429	6.5
57.07070	7.0
59.04979	2.4
63.81742	1.7
65.03951	2.1
67.05502	39.4
69.03436	1.7
69.07067	20.5
69.65564	12.0
71.04997	4.2
71.08638	2.1
79.05495	43.4
81.03417	2.5
81.07056	51.8
81.07518	3.7
83.04967	1.8
83.08607	9.3
85.06546	3.1
85.10195	2.7
88.92316	1.9
91.05476	47.7
91.06004	3.1
93.07044	54.1
95.04961	9.7
95.08602	43.4
97.06526	4.1
97.10182	3.7
99.08102	2.2
103.05516	2.2
105.07030	51.2
107.04979	2.0
107.08595	32.4
109.06524	4.7
109.10173	16.7
111.08092	2.5
111.11768	2.1
115.05495	3.6
117.07005	17.2
119.08578	47.7
121.10139	41.9
123.08058	12.3
123.11712	7.3
125.09686	3.7
128.06236	4.5
129.07014	13.1
130.07802	5.1
131.08560	28.0
133.08604	2.3
133.10129	34.3
135.08081	5.1
135.11679	18.4
136.74886	1.7
137.09657	4.7
137.13246	3.3
137.15605	1.9
139.11223	2.2
141.07008	5.5
142.07759	9.0
143.08568	19.6
144.09332	2.2
145.10123	36.8
147.08086	6.3
147.11694	23.4
149.09708	4.4
149.13290	6.4
151.07568	7.1
155.08539	8.5
156.09431	2.9
157.10146	25.2
159.11684	24.2
161.09663	2.9
161.13249	11.6
163.11156	3.9
163.14761	2.6
165.09145	6.9
167.08606	3.5
167.10696	17.7
169.10109	10.9
170.10939	3.2
171.11684	18.9
173.13231	17.3
175.14899	7.7
179.08653	3.3
179.14407	2.5
181.10184	6.5
181.12350	2.8
182.10960	3.7
183.11739	10.1
185.13210	12.9
187.14819	8.9
189.12837	2.7
193.10193	4.3
194.10918	2.3
195.11769	7.9
196.12560	2.2
197.13268	11.0
199.14896	8.4
201.16432	4.6
203.14345	4.7
207.11824	5.1
209.13347	8.0
211.14951	5.5
213.16537	7.2
215.18062	4.2
217.16037	3.3
221.13387	4.3
221.15474	16.2
223.14928	6.6
225.16389	3.0
227.17935	2.0
229.15973	2.1
231.17458	4.1
233.15422	3.4
235.15015	2.1
237.16493	2.9
239.18051	2.7
241.19598	8.0
243.21141	1.9
245.13329	2.8
247.14833	3.1
253.15797	2.0
257.19147	5.4
259.20547	10.7
261.22052	2.4
263.17972	2.5
265.19693	2.2
283.20523	3.1
289.12976	5.5
307.22800	14.0
311.20392	2.2
321.87390	2.1
333.24463	8.7
335.25922	5.6
403.30225	2.6
483.86121	2.0
487.34155	1.9
491.38925	6.9
509.40134	3.7
554.80878	1.9
565.41797	12.0
583.43353	100.0
584.43909	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12218	1.3
51.02372	1.9
52.93900	1.2
53.03949	5.8
55.01876	2.3
55.05513	22.6
56.45888	1.3
57.03440	7.2
57.07078	6.6
65.03934	3.6
67.05505	54.3
69.03433	2.0
69.07071	19.3
70.14800	1.5
70.98370	1.5
70.98691	2.5
71.04985	2.0
77.03918	2.1
79.05495	50.2
81.07062	55.9
82.07378	1.5
83.04997	2.1
83.08619	12.2
84.87467	1.2
85.06536	3.3
89.06041	2.0
91.05487	49.6
93.06458	3.1
93.07050	54.3
95.04974	7.1
95.08611	41.0
97.06528	3.1
97.10174	5.1
98.20996	1.5
99.08110	1.3
103.05479	1.8
105.04513	1.8
105.07034	46.7
107.08602	30.0
107.09280	2.2
109.06561	4.1
109.10168	17.8
111.08125	2.1
115.05492	2.9
117.07011	19.2
118.06597	1.6
119.08586	37.0
120.04163	1.4
121.06499	1.3
121.10152	25.4
121.11011	1.8
123.08096	4.8
123.11713	4.8
124.35041	1.2
125.09622	1.4
128.06248	4.9
129.07013	12.7
131.08563	28.3
133.06560	1.4
133.10141	33.2
134.10583	1.4
135.08055	3.5
135.11719	16.3
137.09677	3.4
139.11180	1.9
141.06964	3.8
142.07796	3.6
143.08574	20.1
144.09357	1.8
145.10129	28.8
147.08127	1.8
147.11685	21.3
149.09631	3.2
149.13312	9.5
151.11159	1.6
153.06967	1.6
155.08574	7.1
157.10127	16.2
158.10872	1.7
159.11699	19.1
161.09683	2.0
161.13255	10.5
163.11230	3.0
163.14853	2.0
167.08551	2.4
169.10127	10.2
171.11673	14.1
173.13274	14.5
175.14874	5.1
177.12756	2.2
177.16441	1.4
179.08437	1.5
181.10152	2.9
182.10960	3.2
183.11690	10.2
185.13269	14.1
187.11115	1.9
187.14807	9.0
189.16438	1.5
195.11752	6.2
197.13263	8.3
199.14857	7.4
201.16374	2.6
207.11655	1.7
209.13330	5.7
211.14868	6.3
213.12895	1.4
213.16563	7.1
215.18011	5.3
217.15921	1.5
221.13374	2.0
221.15436	3.0
225.16420	2.1
227.18207	3.1
229.15962	2.4
229.19641	2.6
231.17445	4.0
231.21147	2.1
233.13225	1.6
233.19121	1.7
237.16502	1.9
239.17923	2.6
241.19571	7.3
251.18176	2.2
255.21190	1.6
257.19156	5.4
259.20566	15.0
273.18530	2.3
275.20062	1.7
299.23798	1.4
307.22659	18.2
315.23550	2.3
323.23373	1.8
333.24182	13.8
335.25937	3.5
353.28448	2.2
363.15152	1.4
366.83963	1.6
441.55844	1.9
473.38049	2.4
491.39322	8.4
509.40103	3.0
513.36218	1.6
527.38574	1.7
565.42432	9.5
583.43536	100.0
584.43842	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	583.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	20.0
57.03432	4.9
57.07081	5.0
59.15944	2.5
65.03922	3.3
67.05511	44.5
69.07079	19.4
70.06842	11.3
79.05494	37.0
81.07063	43.5
83.08616	13.6
85.04301	2.9
85.06583	2.6
86.07275	2.7
91.05490	33.5
93.07051	35.6
93.28020	2.6
95.04985	5.2
95.08614	33.0
97.10198	4.1
98.21136	6.7
101.75523	2.9
105.07037	32.9
107.08597	25.3
109.06507	4.1
109.10163	16.7
116.41151	2.7
117.07059	18.4
119.08597	37.4
121.10142	21.6
123.11725	6.0
129.07004	12.7
131.08572	25.5
133.10130	26.8
135.08023	3.1
135.11710	10.6
142.07802	3.7
143.08563	19.8
145.10143	27.2
147.11703	17.4
149.13239	3.7
155.08543	7.7
157.10120	21.5
159.11707	17.9
161.09680	3.3
161.13293	6.1
165.09111	2.6
167.08603	2.8
169.10106	14.6
171.11673	14.6
173.13272	11.8
175.14868	4.5
181.10120	3.3
183.11758	8.3
185.13295	11.7
187.11269	4.6
187.14856	10.5
189.12784	2.7
189.16415	4.1
195.11719	5.3
197.13264	8.1
199.14848	9.2
203.18074	5.7
206.79143	2.7
209.13301	5.7
211.14754	6.5
213.16367	12.3
215.18005	4.6
229.19489	3.3
231.17465	8.6
237.16589	2.6
305.21048	4.0
335.26028	3.5
415.93839	3.2
491.39511	6.1
509.39352	4.0
565.42432	7.2
583.43524	100.0
584.43585	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	583.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03940	4.3
55.01857	2.5
55.05512	23.8
57.03439	7.8
57.07071	4.9
60.56156	1.2
65.03938	3.4
67.05507	54.8
69.03421	2.3
69.07073	23.1
69.78181	7.6
71.04967	2.6
71.08636	3.1
79.05496	46.7
81.07060	57.2
83.04984	2.9
83.08605	11.8
85.06531	3.8
89.06029	5.6
91.05482	45.8
93.07050	61.2
95.04979	6.4
95.08608	41.9
95.09220	1.6
97.06533	5.7
97.10172	7.1
98.20776	2.4
98.21440	2.6
99.08093	2.5
101.03059	1.4
103.05485	2.1
105.04489	1.4
105.07036	49.4
107.08593	29.4
109.06534	3.0
109.10168	18.4
111.08118	2.1
115.05451	3.1
117.07024	18.9
119.08584	45.7
121.06526	1.7
121.10146	33.0
121.11027	1.9
123.08070	5.5
123.11720	5.5
125.09635	2.0
128.06194	2.8
129.05505	1.6
129.07007	13.5
130.07831	2.2
131.08575	31.4
133.08556	3.0
133.10138	36.6
135.08087	3.7
135.11684	21.2
137.09612	4.3
137.13200	1.8
139.11148	2.2
141.07013	4.1
142.07813	5.9
143.08572	19.9
144.09319	2.5
145.06537	1.8
145.10129	31.1
147.08029	3.4
147.11693	28.6
149.09634	3.5
149.13222	9.2
151.07574	3.1
151.11322	1.2
152.16632	1.2
154.07724	1.6
155.08527	10.6
155.85887	1.3
156.09357	4.4
157.10138	21.8
158.10980	1.8
159.08101	1.4
159.11688	23.1
161.09615	2.0
161.13266	14.3
163.11192	3.5
163.14854	3.3
165.07034	2.4
165.09099	6.0
167.08583	3.5
168.09395	2.2
168.33292	1.3
169.10155	12.3
170.10934	2.2
171.11696	18.4
173.13248	15.8
175.11191	1.7
175.14806	11.8
177.12701	1.6
179.08601	1.7
180.09375	1.8
181.10124	4.5
181.12251	2.5
182.10936	2.1
183.11716	13.4
185.13298	11.6
187.14816	9.2
189.12784	2.3
189.16447	2.8
191.14258	1.8
193.10147	2.0
195.11673	6.9
196.12410	1.5
197.13248	8.1
199.14804	10.4
201.16464	4.8
203.14345	3.4
207.11711	3.8
207.13721	1.6
209.13245	6.9
211.14783	9.4
213.16434	8.8
215.17990	6.8
221.13319	2.9
221.15393	9.0
223.14833	3.5
225.16464	3.6
227.18002	2.2
229.15891	2.9
229.19586	1.7
231.17487	4.7
231.21140	1.6
232.12154	1.5
233.19096	2.5
235.14862	1.5
237.16454	2.5
239.18102	2.4
241.19579	10.4
243.21114	1.5
249.11034	10.7
249.16388	2.7
251.17978	1.9
253.19525	1.6
257.18924	3.5
259.20563	17.1
261.22235	1.9
265.19751	1.6
271.20596	1.8
283.20569	2.9
285.22119	1.8
287.19958	1.5
299.23672	1.4
305.13538	4.5
305.21179	1.4
307.22714	22.8
311.23611	2.6
315.23291	1.5
325.25226	3.0
333.24326	10.9
335.25790	4.5
353.28690	1.6
375.26822	1.6
380.52380	1.4
393.31613	1.6
435.33081	1.6
473.37939	1.9
491.35394	8.9
509.39917	3.7
541.24719	1.7
547.42206	1.3
565.42596	9.1
583.35693	41.0
583.43256	100.0
584.43823	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	583.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.7
55.01870	2.1
55.05514	18.5
57.03450	4.9
57.07069	3.7
64.03936	0.9
65.03934	2.0
67.05509	37.4
69.03429	1.2
69.07071	17.4
71.05000	2.6
79.05494	30.0
81.03439	0.9
81.07059	35.5
83.04973	2.3
83.08611	7.2
85.06540	3.4
91.05481	34.5
93.07052	34.7
94.07401	1.0
95.04979	3.9
95.08611	32.8
97.06538	2.9
97.10180	4.0
98.20927	5.6
99.08100	2.1
103.05494	1.5
105.04534	1.2
105.07039	30.9
107.08599	20.0
109.06487	2.1
109.10162	14.5
111.08095	2.5
115.05485	2.0
117.07026	13.0
119.08586	28.4
121.10148	17.6
123.08091	1.8
123.11714	3.3
125.09677	1.3
128.06154	4.6
129.05507	2.2
129.07008	12.2
130.07835	1.5
131.08578	23.4
131.09514	1.9
133.10138	28.2
135.08054	2.0
135.11707	10.6
137.09622	2.7
137.13286	1.5
141.07021	3.4
142.07805	3.0
143.08569	17.0
144.09325	1.6
145.10138	25.2
147.11703	20.2
149.09654	2.6
149.13239	5.2
151.07622	1.0
154.07793	1.6
155.07442	1.3
155.08565	8.4
156.09389	2.4
157.10139	16.5
159.11708	15.9
161.09692	1.3
161.13321	5.5
163.11240	1.9
163.14870	2.2
167.08609	2.7
168.09474	1.7
169.10112	9.3
171.11696	17.1
173.13266	11.1
174.73207	1.2
175.11205	1.4
175.14874	4.1
177.12730	1.7
177.16423	1.3
179.08546	1.5
181.10187	4.5
182.10938	1.0
183.11725	8.7
185.13304	10.1
187.14856	6.6
189.16423	4.4
194.10907	1.3
195.11639	4.9
196.12514	1.7
197.13306	8.8
199.14874	7.3
201.16428	4.4
203.14311	1.0
203.18013	4.2
207.11810	1.2
209.13322	4.1
211.14856	7.0
213.16399	14.9
215.18062	2.7
217.19563	1.5
219.17445	1.1
221.13380	2.4
221.15283	1.7
223.14859	2.5
225.16489	2.9
227.18027	3.4
229.15871	2.2
229.19537	1.1
231.17458	11.2
235.14771	1.3
237.16418	2.4
239.18016	4.0
241.19547	2.4
245.18822	1.2
251.17963	1.3
253.19662	1.4
257.19159	2.4
259.20575	2.0
261.22461	1.4
263.17752	1.2
265.19626	1.3
271.20300	1.0
283.20810	1.2
297.22229	1.7
305.21167	2.7
307.22940	1.7
309.22070	1.1
311.23590	1.7
335.25836	8.4
393.31720	1.1
421.30536	1.1
473.37964	1.5
491.38785	7.6
509.40247	2.1
513.36316	1.4
565.42572	7.0
583.43561	100.0
584.43518	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	583.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.5
53.03941	4.4
55.01871	2.8
55.05262	1.9
55.05512	27.2
56.68623	1.1
57.03434	9.9
57.07077	5.0
65.03930	5.9
67.05505	64.9
69.07069	23.2
69.85598	5.3
69.86021	2.0
71.04980	4.6
71.08646	1.2
74.41473	1.2
79.05492	57.3
81.03423	1.4
81.07054	63.7
82.07384	1.9
83.04970	2.6
83.08623	13.4
85.06536	3.2
89.05989	1.5
91.05482	50.1
93.07047	61.5
94.07392	1.1
95.04974	7.4
95.08607	45.9
97.06528	4.9
97.10181	4.0
98.20860	2.3
98.21402	1.4
99.08104	2.9
103.05469	2.7
105.04534	1.8
105.07029	51.7
107.08591	32.8
109.06554	2.9
109.10155	18.9
111.08084	1.7
115.05480	1.6
117.07006	21.4
119.08583	43.3
121.10143	32.0
123.08081	2.9
123.11707	5.2
125.09601	1.5
128.06241	4.8
129.05490	1.8
129.07018	13.9
130.07829	1.3
131.08559	29.6
133.08594	1.7
133.10133	35.6
135.08089	3.1
135.11682	20.6
137.09619	2.6
137.13193	3.2
139.11183	1.8
141.06976	4.8
142.07780	5.2
143.08563	20.7
144.09305	1.9
145.10120	31.1
147.08084	1.8
147.11687	21.9
149.09610	3.4
149.13263	8.3
151.11163	1.9
155.08528	7.6
156.09317	2.7
157.10146	19.5
159.11687	24.2
161.09654	1.3
161.13246	14.3
163.11142	2.4
163.14819	3.3
167.08591	3.7
168.09311	1.5
169.10092	11.1
170.10876	1.3
171.11691	17.1
173.13252	15.5
175.11215	1.8
175.14809	8.4
179.08594	2.0
181.10146	5.7
181.12183	1.3
182.10818	1.3
183.11676	11.9
184.12419	1.8
185.13255	14.7
187.14841	8.3
189.12729	1.4
189.16386	3.1
193.10097	1.3
195.11687	5.0
196.12483	1.9
197.13254	10.2
199.14789	8.9
201.12851	1.1
201.16389	5.0
203.14383	2.2
203.17938	2.0
207.11781	1.8
209.13248	4.9
211.14825	7.3
213.16379	8.5
215.17967	4.2
217.19392	1.4
221.13310	1.5
221.15326	2.2
223.14786	3.0
225.16397	3.2
227.17964	3.1
229.15854	2.3
231.17471	2.9
231.21172	1.5
233.19016	2.5
235.14922	2.2
237.16376	1.6
239.17981	3.8
241.19533	10.7
243.21001	1.5
249.10976	44.7
249.16350	1.4
251.17998	2.2
253.19516	1.3
255.17380	2.6
257.19028	4.6
259.20581	16.6
261.22180	2.7
275.20172	1.2
279.21289	1.4
283.20325	1.5
305.13504	4.1
305.21106	1.8
307.22684	21.2
323.23892	1.6
331.22681	1.4
333.24234	11.1
335.25809	6.3
353.28351	2.2
367.30008	1.4
389.27145	1.4
473.37802	2.3
485.36230	2.2
491.39117	9.2
499.34378	1.3
504.37738	2.1
509.39896	3.2
513.35510	2.2
548.39349	1.4
565.42468	10.9
583.35760	100.0
583.43579	91.6
584.36072	5.6
584.44019	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.05513	17.2
57.07067	10.4
59.04985	5.8
62.82317	4.0
65.03932	2.8
67.05504	26.5
67.10162	2.0
69.03418	8.5
69.07061	16.4
71.04980	3.2
71.58437	3.3
79.05498	24.5
81.07053	39.3
83.04974	7.0
83.08615	11.2
85.06512	7.0
91.05479	43.1
93.07047	45.4
95.04941	11.4
95.08611	36.5
96.91940	2.5
97.06523	7.3
103.05476	2.9
104.16634	2.4
104.20499	2.2
105.07034	59.9
107.04933	2.7
107.08595	41.4
109.06529	9.4
109.10160	21.0
111.08060	4.2
113.09618	3.1
115.05456	5.8
117.07034	16.2
119.08584	70.0
121.06515	5.2
121.10145	46.5
123.08064	14.3
123.11704	2.6
125.09609	3.1
128.06247	6.9
129.06989	14.9
130.07809	5.5
131.08578	32.3
131.75131	2.4
133.06450	3.3
133.10129	46.5
135.08061	8.6
135.11728	15.2
137.09602	9.4
139.11261	5.3
141.06958	7.4
142.07767	18.4
143.08559	31.8
144.09355	3.7
145.10141	46.1
147.08073	12.5
147.11658	19.1
149.09616	10.0
149.13295	3.5
151.07542	12.5
153.07005	5.2
154.07802	2.6
155.08580	13.1
155.10677	4.5
156.09344	11.4
157.10127	42.7
158.10934	6.7
159.08031	4.2
159.11710	33.3
161.09657	7.5
161.13269	8.0
163.11186	5.6
165.07022	3.3
165.09114	22.6
167.08607	7.2
167.10684	6.2
168.09410	5.2
169.10124	24.2
170.10872	5.4
171.11690	25.2
173.09598	3.4
173.13277	17.7
175.11205	3.8
175.14865	11.1
179.08595	8.6
179.14319	4.9
180.09366	7.0
181.10147	11.2
181.12263	8.1
182.10939	5.8
183.11740	25.0
184.12422	4.1
185.13280	17.3
187.14853	9.8
189.16481	3.0
191.14345	2.7
193.10103	11.6
193.11929	3.3
194.10912	6.6
195.11685	16.3
195.13338	2.3
196.12439	5.2
197.13217	21.6
199.14769	11.9
201.16473	5.3
203.14386	8.8
205.10136	3.4
205.15970	3.2
206.10907	5.7
207.11717	11.4
207.13777	7.0
208.12471	6.9
209.13219	21.6
209.15179	4.0
211.14893	11.2
213.16405	3.1
215.14359	4.3
217.10345	2.4
217.15929	4.9
218.10858	2.8
219.11636	3.9
219.17450	2.6
220.12509	4.2
221.13246	12.8
221.15419	42.4
222.13943	4.1
223.14807	15.1
225.16507	4.1
227.14409	4.0
229.15955	3.3
230.10858	2.9
233.13260	5.2
233.15448	12.7
234.13977	2.6
235.14873	10.0
237.16428	4.2
239.18037	3.4
241.19513	3.2
245.13191	4.1
246.13940	3.2
247.14803	4.3
247.17078	5.0
248.15599	2.4
249.16391	5.6
251.18040	3.3
253.19525	2.7
255.17342	3.2
257.13303	2.9
257.18903	3.0
258.14133	3.4
260.15576	5.5
261.16339	5.5
263.17902	4.4
265.19684	5.9
267.17334	2.7
275.18005	4.3
277.19446	4.6
283.20544	5.5
287.20206	3.6
289.19586	4.4
293.19110	3.8
295.20660	3.0
305.22736	3.1
316.41730	2.5
335.23785	3.1
349.25079	5.0
361.25296	3.1
375.26959	5.0
385.27509	3.2
399.29099	6.3
425.30792	6.8
477.32858	3.7
491.35165	71.9
565.40533	14.1
573.61017	2.6
583.41455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58120	2.1
53.03951	4.8
55.01863	2.9
55.05512	16.9
57.07070	6.6
59.05009	3.4
65.03925	3.6
67.05502	21.0
69.03429	8.0
69.07076	15.3
69.25829	20.1
69.26232	5.3
79.05494	21.0
81.07058	34.1
83.04978	9.8
83.08618	15.6
85.02911	4.3
85.06530	5.8
91.05479	35.9
93.07047	48.9
95.04964	12.9
95.08610	35.1
97.06531	14.7
97.10195	2.7
98.21291	10.3
99.04440	3.2
99.93443	2.5
105.07030	55.6
107.04988	4.5
107.08599	44.0
109.06511	9.6
109.10168	25.4
111.08050	3.6
113.09637	5.6
115.05441	4.9
117.06985	12.9
119.08581	67.7
121.06536	3.8
121.10146	52.7
123.08073	15.2
123.11706	5.3
125.09634	6.8
128.06247	9.8
129.06990	10.6
130.07826	7.0
131.08566	29.3
133.10136	35.6
135.08061	7.0
135.11676	17.1
135.22238	2.4
137.09612	7.3
139.11198	8.3
139.69493	2.2
141.07001	9.2
142.07790	17.6
143.08571	27.1
144.09340	6.4
145.10127	44.5
147.08051	9.9
147.11702	16.9
149.09639	8.2
149.13211	4.6
151.07571	6.8
155.08572	13.6
155.10674	7.0
156.09358	14.6
157.10118	45.1
158.10925	6.7
159.08064	4.0
159.11707	23.9
161.09633	3.9
161.13257	6.3
163.11205	5.5
163.18349	2.4
165.06958	5.4
165.09106	16.7
167.08572	7.2
167.10678	13.5
168.09340	3.6
169.10159	22.3
170.10947	7.7
171.11668	25.3
173.13275	22.0
175.11221	3.6
175.14888	9.0
178.07684	3.1
179.08585	11.4
179.14282	4.3
180.09338	5.1
180.72165	2.1
181.10167	15.0
181.12222	14.2
182.10953	8.6
183.11708	26.8
184.12552	2.7
185.13249	19.6
187.14836	9.3
189.12793	5.7
191.14365	9.0
192.09361	3.5
193.10149	14.1
194.10919	8.3
195.11726	22.8
196.12488	6.7
197.13252	19.3
199.14821	16.3
201.16492	3.5
203.14354	8.3
205.10129	3.5
206.10966	7.5
207.11739	16.7
207.13643	4.9
208.12527	7.0
209.13266	22.1
209.15138	3.2
210.14014	3.4
211.14882	9.7
213.12881	2.6
213.16417	5.2
215.14343	5.4
217.15866	4.4
218.11000	2.8
219.11758	5.7
220.12436	6.4
221.13268	12.7
221.15428	36.8
222.13977	3.6
223.14824	11.0
225.14702	6.2
225.16605	5.9
227.14423	4.7
230.10759	4.7
231.11641	3.2
231.17474	3.4
233.13309	6.3
233.15416	15.4
235.14864	9.5
236.94077	2.3
237.16435	9.7
239.17932	4.4
243.11729	2.9
245.13268	6.8
246.14005	6.3
247.14821	8.6
247.17058	4.4
249.16489	8.5
251.18034	9.1
253.19595	3.1
255.17662	2.9
257.13544	3.7
257.18976	4.2
259.14838	6.1
261.16443	8.0
263.18048	8.3
265.19666	7.0
269.19156	4.4
271.14917	4.3
273.16333	5.7
275.17944	6.3
277.19516	5.6
279.21115	2.6
281.19205	3.4
283.20581	6.5
287.17688	2.9
289.19467	5.6
291.20633	2.6
292.90570	2.4
295.20642	5.4
297.22418	3.0
301.19235	2.7
307.20575	3.0
308.29327	2.8
309.22421	3.1
331.24268	4.0
335.23773	5.0
337.25174	3.4
343.24442	5.2
347.23627	4.3
349.25278	5.2
355.24637	2.7
357.25671	4.4
361.25320	6.3
363.26819	5.4
375.26923	5.2
397.29169	7.0
406.54312	2.3
413.22107	2.5
415.30032	5.2
470.61737	2.5
483.36447	3.2
547.38873	5.0
565.40234	27.3
583.41431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28436	2.1
50.42259	1.9
53.03942	6.8
55.01866	3.3
55.05511	20.6
57.03404	2.6
57.07080	11.6
59.04990	2.2
65.03927	6.2
67.05501	32.3
69.03419	10.2
69.07072	24.8
69.38084	17.6
71.04984	2.8
71.08584	2.3
72.47356	2.1
79.05487	34.4
81.07051	49.0
83.04998	11.9
83.08616	12.2
85.06535	8.6
89.06026	6.4
91.05477	63.2
93.07037	71.7
95.04971	14.7
95.08600	42.0
97.06526	8.5
98.20889	6.8
103.05469	5.3
105.07029	90.0
107.04969	2.9
107.07872	3.0
107.08591	60.3
109.06516	13.3
109.10150	27.8
111.08131	3.3
113.09642	2.9
115.05438	6.5
117.07009	29.4
119.08575	100.0
120.86262	2.3
121.06495	8.2
121.10135	62.1
123.08065	16.1
123.11726	5.9
125.05980	4.3
125.09619	7.2
128.06242	15.3
129.06999	24.5
130.07767	6.6
131.08569	45.2
132.09283	4.5
133.06480	3.7
133.08626	4.2
133.10132	52.8
135.08095	13.9
135.11685	23.1
137.09610	10.6
137.13179	2.7
139.11162	5.5
141.06989	13.6
142.07790	31.5
143.08559	55.2
144.09325	8.2
145.10114	73.2
147.08031	17.2
147.11685	23.7
149.09628	9.9
149.13260	5.8
151.07558	12.4
151.11208	3.0
153.07005	7.0
154.07764	5.5
155.08575	23.7
156.09351	21.3
157.10126	65.0
158.10899	6.3
159.08072	7.0
159.11690	35.2
161.09605	10.3
161.13232	9.1
163.11189	7.3
165.07031	11.1
165.09100	23.9
166.07816	3.3
167.08551	12.0
167.10674	19.4
168.09373	11.4
169.10126	42.5
170.10927	11.6
171.11681	40.9
172.12425	4.3
173.09595	5.5
173.13251	31.9
175.11194	3.3
175.14803	15.4
179.08519	20.7
180.09346	12.0
181.10130	23.4
181.12134	10.7
182.10905	10.3
183.11678	34.4
184.12485	7.4
184.23035	2.4
185.09714	3.2
185.13277	24.5
187.14812	8.8
189.12737	5.0
189.16469	2.5
191.08627	4.7
191.14291	14.6
192.09311	7.0
193.10129	16.9
194.10905	11.9
195.11723	26.0
196.12497	6.1
197.13278	26.9
199.14818	18.8
201.12775	3.9
201.16454	4.5
203.08598	3.2
203.14278	12.3
204.09239	3.4
205.10129	7.1
205.15886	2.7
206.10884	8.7
207.11708	28.0
207.13773	6.7
208.12463	12.1
209.13271	33.8
209.15137	3.6
210.14030	4.9
211.14778	12.7
213.12776	3.4
213.16385	4.2
215.14360	3.2
217.10063	4.7
217.15805	12.1
218.10858	5.6
219.11665	10.4
219.13544	2.5
220.12466	8.6
221.13248	20.4
221.15401	49.1
222.13928	5.1
223.14799	23.1
224.15477	2.6
225.12843	2.5
225.16348	7.6
227.14365	4.5
230.10898	3.1
231.11722	8.0
231.17455	3.6
232.12415	7.9
233.13225	15.0
233.15407	7.7
234.14113	5.7
235.14809	16.0
236.15611	3.1
237.16347	11.2
239.17957	6.4
244.12491	2.5
245.13290	7.5
246.14003	6.8
247.14827	8.3
248.15700	4.2
249.16399	11.0
251.18034	8.5
253.19530	2.3
254.39200	2.4
257.18924	10.8
259.14868	6.9
260.15436	5.0
261.16431	13.7
262.17297	3.0
263.17810	12.9
265.19620	6.1
269.13275	3.4
269.19070	5.3
271.14642	3.3
271.20566	3.3
272.15564	3.1
273.16415	5.9
274.16922	2.8
275.17819	14.7
277.19537	6.6
281.18976	3.2
283.20560	19.8
285.16226	2.8
285.18970	2.9
287.20242	4.8
289.19418	4.4
293.19049	3.6
295.20468	2.7
300.20926	3.4
301.19284	3.0
303.20880	4.0
315.20978	3.7
331.20496	2.7
331.24170	6.8
349.25372	10.1
375.26752	4.6
401.28470	3.4
412.27734	2.3
491.35028	7.5
503.34866	4.0
547.39044	3.8
565.40320	20.0
583.41516	96.0
584.41205	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.9
57.03452	2.0
57.07082	8.7
59.05011	3.1
63.80666	1.7
65.03943	4.2
66.93454	1.9
67.05508	22.3
68.61806	1.5
69.03419	6.8
69.07068	17.3
69.73972	1.5
79.05502	19.8
81.03423	2.6
81.07059	27.4
83.04992	4.2
83.08618	9.5
85.06555	4.8
91.05486	29.8
93.07051	46.2
95.04969	9.1
95.08627	29.6
97.06521	6.7
98.20985	10.0
103.05482	3.6
105.07040	58.5
107.04982	2.2
107.08600	43.4
109.06522	7.7
109.10155	21.3
111.08099	1.9
111.11747	2.1
115.05462	3.3
116.06261	2.3
117.07053	12.1
119.08585	65.1
121.06538	4.7
121.09301	3.7
121.10154	51.1
123.08072	13.9
123.11710	6.1
125.09634	3.9
128.06239	9.6
129.07034	12.6
129.92159	1.6
130.07799	5.9
131.08575	27.8
133.06546	4.0
133.10136	37.8
135.08044	7.5
135.11734	12.1
137.09618	9.0
139.11192	2.3
141.06998	7.3
142.07782	19.2
143.08582	32.2
144.09306	6.1
145.06474	2.7
145.10138	44.2
147.08040	7.1
147.11691	13.6
149.09653	9.3
149.13240	2.2
151.07552	7.5
153.07025	3.8
154.07773	2.3
155.08568	12.3
155.10602	1.8
156.09346	12.9
157.10146	37.3
158.10843	3.3
159.08116	5.0
159.11699	24.8
161.09636	7.7
161.13309	6.8
163.11198	4.8
165.07051	4.1
165.09149	9.0
166.07692	2.6
167.08568	10.7
167.10693	32.5
168.09398	6.8
168.22014	1.8
169.10138	22.0
170.10928	5.7
171.11723	25.7
173.09651	3.4
173.13272	16.4
175.11230	3.4
175.14871	8.3
179.08649	9.5
180.09323	3.5
181.10162	16.0
181.12244	5.4
182.10944	7.5
183.11717	21.0
184.12457	4.8
185.09657	2.3
185.13266	15.3
187.11160	5.0
187.14795	9.7
189.12787	6.5
191.14319	5.2
192.09431	2.7
193.10176	10.7
194.10977	7.2
195.11708	24.0
196.12518	5.4
197.13315	19.4
198.13857	2.9
199.11191	2.6
199.14803	10.9
201.16444	5.2
203.14354	7.0
204.09268	2.6
205.10248	3.8
206.10951	8.0
207.11752	13.2
207.13805	5.9
208.12431	6.6
209.13287	22.4
209.15215	1.9
210.13995	3.5
211.14772	10.8
213.12636	2.3
213.16446	5.2
215.14372	4.2
217.10144	2.5
217.15906	6.0
219.11717	5.5
220.12325	4.2
221.13286	10.8
221.15416	24.4
222.14143	3.5
223.14836	11.7
225.12878	2.8
225.16266	4.7
227.14328	2.6
229.15877	2.4
230.11011	2.0
231.11674	5.5
231.17552	2.1
232.12450	3.7
233.13298	4.6
233.15479	12.1
234.14021	4.1
235.14761	8.4
236.15762	2.9
237.12793	2.5
237.16435	5.4
239.14290	3.1
239.17958	3.3
243.11800	2.2
245.13275	4.3
246.13989	4.1
247.14804	8.8
248.15572	2.6
249.16431	8.6
250.17244	3.0
251.18005	5.3
257.19095	4.9
258.14130	2.3
259.14856	5.0
260.15561	2.3
261.16428	7.0
263.18005	4.4
265.19547	5.2
269.19055	5.6
271.20755	2.4
272.15683	2.3
273.16458	5.1
275.18008	4.3
277.19580	4.2
281.18991	2.7
283.20618	7.6
285.18982	2.1
287.17780	3.3
289.19437	3.3
289.85950	2.1
291.20978	3.4
293.18857	2.7
295.20621	4.0
297.16257	1.9
299.20203	5.1
303.21051	2.5
307.20605	2.5
309.22101	3.3
311.19995	2.3
321.22067	2.6
333.21973	2.4
335.23727	3.6
343.24460	1.8
349.25266	4.9
361.25342	2.9
363.22382	1.7
373.25504	2.1
375.26770	3.1
377.24884	2.3
403.30051	7.5
491.35257	4.0
503.34592	2.2
547.39850	3.1
565.40356	16.3
583.41486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05511	8.8
55.50221	1.2
57.03429	1.3
57.07070	7.3
59.04984	3.1
65.03901	1.7
67.05502	18.7
69.03430	5.3
69.07068	6.9
69.83801	6.8
79.05497	12.1
81.07055	19.6
83.04996	2.9
83.08628	3.9
85.06539	2.8
91.05480	20.6
93.07041	28.1
95.04986	7.2
95.08598	21.4
97.06541	4.8
98.21017	3.3
103.05447	1.4
105.07030	36.2
107.08593	22.2
109.06499	3.6
109.10166	9.7
113.09669	2.0
117.07022	7.2
119.08585	36.1
121.06512	3.0
121.10143	27.0
123.08055	15.4
123.11697	3.2
125.09614	1.9
128.06238	3.7
129.07033	5.9
130.07761	3.0
131.08574	13.4
133.06499	1.6
133.10112	20.4
134.59630	1.4
135.08012	7.9
135.11644	6.7
137.09605	8.3
139.11179	3.8
141.06976	2.2
142.07770	9.4
143.08556	13.5
144.09380	1.7
145.06529	1.6
145.10112	25.6
147.08047	15.1
147.11697	7.4
149.09637	3.0
151.07535	14.0
151.11194	1.5
153.07047	1.7
155.08592	8.5
156.09319	7.7
157.10129	24.8
158.10878	3.5
159.08112	1.7
159.11703	15.4
161.09668	2.6
161.13277	6.7
163.11203	3.6
165.06985	3.1
165.09114	29.9
167.08560	5.2
168.09395	1.9
169.10124	10.5
170.10927	3.7
171.11678	13.8
173.09592	2.7
173.13235	10.2
175.11292	1.8
175.14822	4.7
179.08591	6.2
181.10162	6.4
181.12230	5.3
182.10892	2.7
183.11674	13.0
184.12393	1.4
185.09665	1.5
185.13237	12.0
187.11226	3.5
187.14833	4.8
189.12766	5.7
191.14348	2.4
192.09430	2.0
193.10153	4.1
194.10951	4.3
195.11710	12.9
196.12447	3.0
197.13234	13.5
198.13934	1.6
199.11179	1.8
199.14908	4.7
201.16452	4.0
203.14301	14.9
205.10272	2.0
206.10905	2.7
207.11716	8.4
207.13849	6.1
208.12469	4.4
209.13301	9.2
209.15068	1.7
211.14719	6.6
213.12920	2.3
213.16396	2.9
219.11766	3.0
219.17545	1.7
220.12460	3.1
221.13252	6.4
221.15331	50.6
222.13989	2.6
223.14871	5.8
225.16333	3.9
227.14325	1.4
227.17827	1.7
231.11667	2.1
231.17380	2.4
233.13321	4.4
234.14117	2.1
235.14902	3.8
236.15607	3.0
237.16409	3.9
239.18100	2.3
245.13382	1.6
247.14755	2.9
247.17007	3.1
249.16434	5.0
251.17973	1.6
259.14838	3.2
260.15436	1.9
261.16452	4.1
263.18002	2.9
265.19427	3.2
267.20877	1.7
271.20367	2.9
277.19550	2.4
279.21130	2.0
281.18893	2.0
283.20773	2.3
285.35910	1.5
287.20172	1.9
289.19608	2.2
291.21158	1.8
295.20505	3.2
297.22134	2.7
299.20212	2.5
301.19171	1.7
315.21152	1.9
349.25079	2.5
352.24014	1.7
357.25842	1.6
365.24692	3.2
375.26733	6.5
403.29822	7.4
467.31091	1.5
491.35345	1.9
503.35339	4.5
547.39154	3.6
565.40356	22.9
583.41473	100.0
584.41675	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20187	2.0
53.03941	6.2
55.05513	17.8
57.07082	12.8
65.03931	3.8
67.05511	26.3
69.03435	6.3
69.07072	26.0
69.38214	11.7
69.38638	6.9
71.08630	4.1
79.05497	22.1
81.07063	36.9
83.04984	8.5
83.08607	8.3
84.41496	2.1
85.06535	5.4
89.06033	8.7
91.05477	39.3
92.05737	2.1
93.07044	56.4
95.04964	12.3
95.08602	35.0
97.06529	4.6
97.10159	3.5
98.20898	7.9
103.05462	3.4
105.07034	66.8
107.08599	47.4
109.06542	10.0
109.10178	21.6
111.08082	4.3
113.09621	2.2
115.05428	3.9
117.07037	14.2
119.08586	78.8
121.06481	4.5
121.10147	59.0
121.11511	2.3
123.08070	15.3
123.11713	7.6
125.09637	4.8
128.06226	9.0
129.07016	19.0
130.07791	5.9
131.08569	33.2
133.08574	4.8
133.10127	39.3
135.08052	6.5
135.11699	18.4
137.09607	11.8
139.11237	4.1
141.06963	9.8
142.07784	23.7
143.08565	39.6
144.09312	8.3
145.10126	54.2
145.11247	2.6
147.08041	10.0
147.11682	17.9
149.09625	12.6
151.07559	9.2
151.11160	4.0
153.07016	5.2
154.07806	4.8
155.08575	17.6
155.10698	3.2
156.09346	20.9
157.10135	47.8
158.10880	6.1
159.08125	5.3
159.11708	34.8
161.09605	5.2
161.13246	5.4
163.11157	4.1
165.06992	6.9
165.09131	15.3
167.08513	7.3
167.10689	45.7
168.09402	5.0
169.10126	23.5
170.10867	7.5
171.11690	29.9
172.12305	3.4
173.13277	25.3
175.11208	4.0
175.14862	12.2
179.08601	11.9
180.09296	4.3
181.10178	15.3
181.12207	7.1
182.10902	9.7
183.11711	27.0
184.12433	4.5
185.13286	15.1
187.11343	2.5
187.14832	9.6
189.12759	6.9
191.14355	7.2
192.09363	3.1
193.10155	15.1
194.10893	9.7
195.11667	21.2
196.12440	5.1
197.13239	23.5
198.14059	3.1
199.14806	21.1
201.16336	6.1
203.14305	7.6
205.10184	4.5
206.10921	6.5
207.11708	12.5
207.13814	6.7
208.12500	6.9
209.13254	24.7
210.14059	3.4
211.14880	14.4
213.12752	3.1
213.16463	4.0
213.85294	2.1
215.14348	4.6
217.15878	14.6
219.11714	6.7
220.12421	5.8
221.13225	13.3
221.15404	34.2
222.13986	3.4
223.14873	11.8
224.15346	2.7
225.16441	6.6
229.10135	2.7
231.11743	6.1
232.12434	3.8
233.13231	13.2
233.15422	16.2
234.14020	4.9
235.14804	9.7
236.15538	2.5
237.16354	6.7
239.14351	3.0
239.17998	5.1
241.15950	2.8
245.13240	6.4
246.14105	5.2
247.14792	9.2
249.16426	7.9
251.18079	6.0
257.13281	4.7
257.19196	4.9
258.14108	3.4
259.14886	5.1
260.15665	4.4
261.16333	8.4
263.17996	5.8
265.19495	5.9
267.17789	2.2
269.18970	4.0
271.14670	2.3
273.16205	4.8
275.17929	8.0
277.19516	7.5
279.17453	2.4
281.19086	2.9
283.20541	12.3
285.16254	3.2
287.17847	4.1
289.19516	3.5
295.20355	4.9
299.20346	4.7
301.19241	4.6
327.21005	2.5
331.24152	4.0
335.23712	3.0
349.25418	4.8
361.25357	4.8
375.26950	5.2
391.52762	2.1
427.29684	2.2
437.30582	3.2
489.08942	2.1
491.35306	4.4
509.34430	3.1
547.38995	3.6
565.40399	20.0
583.32587	8.0
583.41339	100.0
584.41241	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.6
55.05516	17.5
57.07086	12.2
59.05008	3.9
65.03940	5.6
67.05510	26.8
69.03433	7.6
69.07076	19.6
69.65321	11.4
71.04960	2.2
71.08664	2.4
77.03941	2.3
79.05500	29.3
81.07061	39.0
83.04984	7.1
83.08636	11.0
85.06558	9.0
91.05486	52.0
93.06467	3.3
93.07050	56.2
95.04974	15.9
95.08611	43.6
97.06561	4.1
98.20895	4.1
103.05472	6.1
105.04578	2.9
105.07038	88.8
107.08599	49.2
109.06516	12.7
109.10165	24.2
111.08060	4.6
115.05498	5.7
116.06244	5.4
117.07019	22.2
119.08591	94.5
121.06516	4.5
121.10144	55.1
123.08075	19.3
123.11713	7.1
125.06009	3.5
125.09631	3.4
128.06255	17.2
128.65868	2.1
129.07001	20.4
130.07790	6.9
131.08574	42.3
133.06491	3.0
133.10129	45.7
135.08080	10.4
135.11710	16.8
137.09610	11.3
138.45169	2.3
139.11168	3.3
141.06982	11.6
142.07791	26.5
143.08560	50.8
144.09381	8.5
145.10129	52.6
145.11272	2.6
147.08040	24.4
147.11708	17.4
148.08789	2.3
149.09634	7.1
149.13260	3.1
151.07552	15.9
151.11131	2.8
153.07014	7.0
154.07800	6.1
155.08574	20.7
156.09341	20.0
157.10136	57.6
157.11432	3.1
158.10944	9.2
159.08099	2.6
159.11711	29.9
161.09682	7.1
161.13290	8.1
163.11203	9.6
165.07053	12.8
165.09137	42.5
166.07762	4.9
167.08554	10.7
167.10674	13.9
168.09341	6.5
169.10129	41.9
170.10934	14.0
171.11694	40.9
172.12486	2.7
173.09676	6.4
173.13264	30.6
175.11261	3.9
175.14848	8.9
177.12677	2.4
178.07906	2.6
179.08572	19.4
180.09337	8.6
181.10173	21.1
181.12242	7.0
182.10875	12.5
183.11717	35.9
184.12503	7.8
185.09682	2.2
185.13297	22.7
187.11244	2.8
187.14844	10.1
189.12737	9.5
191.08681	3.8
191.14328	9.4
192.09425	5.9
193.10146	19.6
194.10880	15.6
195.11690	29.2
196.12564	6.0
197.13298	25.1
198.13991	2.6
199.11278	2.6
199.14856	17.7
201.12880	2.2
201.16438	3.5
203.14323	18.2
205.10234	4.6
206.10942	10.8
207.11728	23.2
207.13834	8.6
208.12529	7.2
209.13280	33.9
209.15204	3.0
210.13860	2.8
211.14915	13.1
213.12939	2.5
213.16408	5.8
215.14296	4.4
217.10229	5.0
217.15894	11.5
218.10945	3.5
219.11732	8.0
220.12520	7.3
221.13297	19.2
221.15421	75.4
222.14015	2.6
223.14864	19.6
224.15526	2.8
225.16438	7.5
227.14357	3.3
227.18155	2.7
229.10112	2.4
230.10809	3.1
231.11717	6.0
231.17519	7.3
232.12552	5.9
233.13274	12.5
233.15457	5.7
234.14069	5.4
235.14781	19.0
236.15520	4.0
237.16466	9.1
239.17998	7.5
243.11754	3.8
244.12456	4.2
245.13283	7.5
246.14124	5.1
247.14848	11.3
247.17120	3.0
248.15662	5.3
249.16409	13.8
250.17105	3.0
251.17981	7.6
253.15903	3.0
253.19695	3.9
257.13440	2.9
257.19156	9.5
258.14102	2.6
259.14743	9.4
260.15747	5.5
261.16367	12.6
262.17160	4.4
263.18066	6.9
265.19598	10.5
269.18985	5.0
271.20514	2.5
273.16177	4.9
275.18027	13.0
277.16620	2.6
277.19510	5.1
281.19067	2.7
283.20618	20.4
285.16360	3.3
286.19629	2.9
287.20438	4.8
289.19620	5.5
291.20966	2.8
293.18958	2.5
295.20746	5.6
297.22217	6.5
313.19250	2.7
315.21335	2.8
331.24207	7.7
333.22290	2.8
347.24069	3.2
349.25305	10.7
352.23779	3.1
357.25500	3.1
361.25287	3.2
365.25064	3.0
375.26950	7.8
401.28244	2.5
403.29950	8.5
473.34378	2.6
491.34879	4.2
503.35455	4.4
565.40442	29.9
583.41504	100.0
584.41644	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.1
54.90705	1.6
55.05509	13.4
57.07082	10.6
59.04996	4.9
65.03930	2.4
67.05511	20.5
69.03437	11.2
69.07072	16.9
70.84585	2.9
70.84930	3.4
79.00556	1.8
79.05499	22.3
81.07063	27.0
83.04985	8.7
83.08618	9.9
85.06546	7.7
91.05489	45.9
93.07054	46.4
93.71237	1.6
95.04968	12.4
95.08613	37.3
97.06535	3.2
103.05482	4.0
105.07035	64.9
105.96398	1.5
107.08604	36.4
109.06519	7.1
109.10165	18.6
111.08066	3.2
115.05458	4.9
117.07023	12.8
119.08581	74.9
121.06556	4.6
121.10146	45.8
123.08080	16.4
123.11718	5.4
125.05998	4.0
125.09685	2.5
128.06218	9.8
129.07010	13.9
130.07808	5.3
131.08569	24.1
133.06522	4.1
133.10132	36.5
135.08029	7.8
135.11688	11.3
137.09665	10.8
139.11198	2.8
141.06995	9.1
142.07784	22.7
143.08563	34.4
144.09325	6.5
145.06512	2.9
145.10123	48.6
147.08051	19.8
147.11694	16.4
149.09631	7.7
149.13210	2.9
151.07562	19.2
153.07002	6.8
154.07817	3.2
155.08537	13.8
156.09357	19.3
157.10141	46.1
158.10916	7.1
159.08101	2.9
159.11707	23.9
160.08794	1.9
160.12511	2.6
161.09645	5.7
161.13280	10.6
163.11192	4.4
165.06998	6.7
165.09122	36.9
166.07806	3.4
167.08543	8.9
167.10703	8.2
168.09317	10.0
169.10120	28.9
170.10966	7.4
171.08124	2.1
171.11690	28.4
173.09657	6.1
173.13290	21.4
175.11172	2.5
175.14874	7.5
177.09178	2.1
178.07782	2.2
179.08531	15.3
180.09377	6.7
181.10162	15.8
181.12242	4.3
182.10913	10.1
183.11699	27.1
184.12479	5.0
185.09624	2.5
185.13232	15.9
187.11243	3.4
187.14906	4.6
189.12764	8.8
191.14352	7.3
192.09380	4.8
193.10170	14.8
194.10938	12.1
195.11694	19.4
196.12544	6.9
197.13278	16.2
198.14093	3.0
199.11142	2.2
199.14833	9.7
201.12823	2.0
201.16423	1.8
203.08640	2.5
203.14328	14.5
204.09409	2.4
205.10182	4.5
206.10928	5.1
207.11745	19.6
207.13864	10.0
208.12503	6.9
209.13280	24.0
210.13937	2.8
211.11177	2.2
211.14838	12.1
213.16501	4.5
216.09386	2.1
217.10208	4.6
217.15938	6.5
218.10977	3.7
219.11676	6.4
219.17593	1.8
220.12553	4.9
221.13297	13.7
221.15329	64.2
222.14087	5.5
223.14857	15.4
224.15637	3.0
225.16496	5.5
227.14362	3.3
229.15958	2.7
230.10887	3.9
231.11722	6.5
231.17514	3.4
232.12480	4.5
233.13280	10.2
233.15390	4.3
234.13954	2.7
235.14825	12.3
237.16446	6.5
239.17995	3.8
241.15923	3.0
241.19626	2.1
243.11655	3.4
243.17639	2.1
244.12570	2.3
245.13432	6.9
246.14073	4.9
247.14885	7.1
248.15599	3.3
249.16368	9.0
250.17337	2.5
251.17990	6.7
253.19615	3.4
255.17601	2.0
257.13229	2.8
257.19180	5.1
258.14120	3.1
259.14838	5.9
260.15610	2.7
261.16446	6.0
263.18076	4.8
265.16583	2.2
265.19614	6.5
269.18961	3.9
271.14688	4.4
271.20581	2.9
272.15518	3.0
273.16473	4.8
275.17844	7.8
277.16104	1.9
277.19580	4.6
279.21143	1.8
281.19180	3.6
283.20578	11.2
287.20340	3.6
289.19516	3.8
293.19302	2.5
295.20578	3.7
297.22238	6.8
303.21048	2.1
312.21030	2.1
315.20981	2.2
316.21799	2.7
331.24280	5.1
347.23645	2.7
349.25256	6.3
352.24033	2.9
361.25235	2.7
365.24857	3.7
375.27042	6.3
385.28787	2.4
403.29987	7.9
491.34857	5.2
503.35248	5.7
547.39246	3.1
565.40546	24.7
583.41473	100.0
584.42065	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
55.01872	1.7
55.05509	13.8
57.07082	7.9
59.04995	2.7
65.03944	2.7
67.05508	19.4
69.03428	5.0
69.07078	14.8
69.09631	1.6
72.94617	1.5
79.05496	22.7
81.07060	28.2
83.04973	7.1
83.08178	1.7
83.08603	7.9
85.06536	5.3
86.06940	1.6
91.05489	36.4
93.07049	50.9
95.04983	9.4
95.08608	29.1
97.06531	6.9
98.21313	9.9
102.91618	1.5
103.05472	2.8
104.21123	1.4
105.07034	60.5
107.08601	36.0
109.06528	7.3
109.10168	18.9
111.08100	3.7
113.09660	2.0
115.05448	3.9
117.07027	13.4
117.83086	1.6
119.08588	61.9
120.53843	1.6
121.06519	4.7
121.10144	47.9
123.08084	17.0
123.11710	6.4
125.09642	2.4
128.06194	7.9
129.07010	13.3
130.07822	4.5
131.08580	28.8
133.06604	1.6
133.10133	33.9
135.08054	8.8
135.11708	12.4
137.09627	6.9
139.11191	3.7
141.07014	7.4
142.07796	17.1
143.08562	31.2
144.09352	7.2
145.10132	45.4
145.11284	2.6
147.08047	9.2
147.11684	14.1
149.09647	8.2
149.13249	4.2
151.07532	10.8
153.07040	2.9
154.07834	2.3
155.08582	15.7
155.10683	2.3
156.09372	12.0
157.10138	42.7
158.10924	5.2
159.08102	5.8
159.11688	22.9
161.09641	7.2
161.13237	9.6
163.11215	6.1
165.07008	4.3
165.09138	14.4
166.07870	3.2
167.08563	7.4
167.10657	33.4
168.09366	7.4
169.10129	24.1
170.10930	7.4
171.08145	1.9
171.11708	23.4
172.12318	2.3
173.09682	2.7
173.13271	19.4
175.11200	3.8
175.14899	8.5
177.12779	1.9
179.08557	14.9
180.09358	2.5
181.10136	13.8
181.12280	3.1
182.10927	6.8
183.11696	22.2
184.12515	5.1
185.13263	16.2
187.11182	3.1
187.14859	6.5
189.12772	6.6
191.08617	1.7
191.14331	4.9
192.09425	3.3
193.10091	12.8
194.10945	7.3
195.11713	16.3
196.12476	5.1
197.13264	18.7
198.14020	1.8
199.11183	2.1
199.14876	11.4
201.16425	2.9
203.14403	7.5
205.10176	4.4
206.10950	6.2
207.11720	12.9
207.13846	5.4
208.12462	5.6
209.13272	20.2
210.14044	3.1
211.11340	2.1
211.14816	10.1
213.16490	2.8
215.14386	3.1
217.10179	3.2
217.15900	4.8
218.10902	2.1
219.11661	6.2
219.17473	1.9
220.12505	6.5
221.13300	14.3
221.15422	24.0
222.14069	3.5
223.11432	2.6
223.14821	12.1
225.12756	2.6
225.16405	5.6
227.14435	3.3
231.11694	4.8
231.17497	2.8
232.12537	4.6
233.13271	8.2
233.15454	12.0
234.14084	2.4
235.14783	9.2
236.15498	2.4
237.16385	5.7
239.17950	2.2
244.12518	1.7
245.13371	7.7
246.14148	4.2
247.14816	9.4
247.17075	2.8
249.16399	9.8
250.17166	2.6
251.18002	6.2
253.19788	2.2
255.11702	1.7
255.17508	3.0
257.13251	2.0
257.19012	5.6
259.14874	5.7
260.15707	4.3
261.16400	8.2
262.17245	3.9
263.17902	3.5
265.19598	6.6
267.17471	2.3
269.19028	5.9
273.16412	3.2
275.17899	9.4
277.19543	2.8
281.19110	2.0
283.20572	9.6
285.16257	1.8
287.17841	3.1
289.19608	3.5
291.21350	1.9
295.20596	3.8
297.22021	1.9
303.20911	2.1
307.20728	2.4
313.19406	1.9
319.20383	2.0
327.21335	2.1
331.24329	3.0
333.22018	2.0
343.24136	2.5
347.90552	1.7
349.25336	4.6
357.25705	2.7
375.26923	3.7
377.24841	2.3
401.28555	2.0
403.30054	6.6
427.29849	2.1
437.30325	1.8
491.34979	3.4
509.34344	3.8
547.38928	4.5
565.40436	21.7
583.41516	100.0
584.42120	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	582.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65739	1.1
53.03933	3.0
53.98304	1.1
55.01864	2.8
56.05021	2.4
57.03428	2.4
57.98799	1.2
58.99311	1.6
58.99587	13.3
59.62798	1.1
66.06668	1.5
67.05499	3.0
69.03443	1.6
69.07053	1.7
70.06569	4.5
71.04961	1.5
76.02230	88.4
76.03989	4.2
79.05489	4.8
81.03421	100.0
82.03754	1.6
83.04968	3.1
84.04041	1.4
84.04509	20.6
84.08136	1.6
85.02907	2.7
85.85597	1.3
86.09701	2.3
86.99058	3.9
91.05476	13.8
93.07028	4.8
95.04958	2.5
95.08595	4.3
97.02847	1.9
97.06535	1.5
102.05562	1.5
103.18444	1.4
105.06998	1.8
107.04935	1.6
109.06567	1.3
109.10162	1.3
114.03755	1.1
114.35841	1.3
116.01683	22.1
117.06998	1.6
119.04938	2.3
119.08573	11.0
120.08101	3.5
121.06493	4.3
123.08063	12.2
129.06645	1.4
130.05023	14.8
135.07994	1.7
136.06136	1.5
136.07565	2.4
137.09644	13.9
142.03252	8.2
144.01166	13.0
145.06210	1.1
147.04413	7.1
147.08041	5.2
149.88361	1.1
151.07646	1.2
155.05257	1.9
162.02205	45.9
163.07523	2.0
165.09122	37.3
165.10490	2.4
170.02693	3.0
177.03294	2.8
179.04866	81.1
183.10115	2.2
187.05414	2.5
188.03929	1.3
197.06320	1.7
204.34261	1.1
205.08369	1.2
215.04771	1.6
231.04433	5.9
233.05940	18.4
239.12776	12.8
240.10526	1.6
245.05887	4.5
254.88071	1.3
257.13834	5.1
265.64102	1.2
288.05923	1.7
289.11194	2.0
291.06485	2.5
291.72513	1.2
308.09116	98.1
332.15222	2.6
417.17148	2.2
420.22330	2.5
435.17941	13.5
471.17920	1.8
489.18652	1.5
507.19528	2.3
546.20990	2.2
555.78790	1.3
564.21991	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	581.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01863	4.2
55.05507	22.7
57.07076	3.1
59.05022	2.3
65.03965	2.1
67.05500	21.0
69.03418	8.3
69.07071	12.2
69.46327	11.6
71.04988	4.8
74.92017	2.1
79.05491	21.6
81.07062	19.3
83.04976	7.6
83.08616	27.0
85.02913	2.1
85.06548	3.2
89.06026	2.3
91.05476	28.0
93.07043	30.6
95.04982	12.3
95.08608	30.7
97.06527	27.5
98.21039	7.5
99.08041	2.3
103.05450	2.9
105.07028	38.2
107.08595	41.6
109.06531	4.9
109.10158	18.1
109.80260	1.8
111.08081	6.2
113.09629	16.0
115.05454	4.1
117.07021	11.4
119.05013	2.0
119.08576	40.1
121.06520	6.9
121.10124	25.6
123.08083	8.7
123.11727	3.4
125.09613	11.4
128.06210	10.1
128.75172	1.8
129.06993	22.8
130.07755	4.4
130.76762	1.8
131.08549	25.2
133.10115	23.9
135.08070	2.9
135.11678	5.7
137.09624	4.7
139.11163	14.7
141.06976	6.7
142.07777	16.2
143.08563	30.8
144.09338	19.1
145.10121	41.7
147.08090	4.7
147.11679	10.3
149.09558	4.3
153.06969	4.0
153.12752	5.3
154.07776	4.2
155.08559	12.9
155.10649	12.2
156.09364	13.8
157.10123	42.4
157.11302	3.5
158.10951	3.1
159.08064	5.5
159.11684	16.3
161.09543	4.0
161.13255	4.3
163.11183	2.5
165.07040	8.2
165.12798	1.8
166.07803	2.8
167.08585	12.4
168.09364	4.2
169.10115	21.6
170.10883	4.3
171.11693	26.6
173.09590	4.2
173.13298	11.6
175.14938	2.3
178.07813	2.3
179.08528	12.5
179.14328	4.8
180.09349	7.2
181.10114	16.1
181.12222	18.7
182.10909	9.1
183.11731	22.7
183.38329	2.1
184.12355	2.4
185.09616	3.1
185.13303	15.1
187.11166	2.4
187.14877	4.0
189.12706	2.8
191.08586	2.4
191.14328	3.2
192.09340	7.3
193.10120	12.1
194.10904	13.5
195.11711	29.9
195.13800	6.4
196.12431	5.2
197.13257	15.4
199.11186	2.3
199.14839	6.0
201.12674	2.7
201.71977	1.8
205.10179	5.4
206.10966	7.1
207.11703	17.4
208.12544	6.5
209.13257	28.6
210.14066	3.7
211.14816	12.1
213.12723	2.2
213.16396	2.9
217.10172	3.1
218.10913	3.3
219.11700	6.5
220.12561	5.7
221.13239	15.4
221.15401	14.4
222.14090	3.5
223.11263	2.3
223.14828	14.4
225.16412	6.7
227.14276	2.7
229.10164	2.8
229.15871	3.2
230.10965	2.0
231.11729	4.3
232.12469	3.6
233.13293	8.5
233.15407	3.6
234.14015	4.0
235.14752	13.2
236.15639	4.3
237.16399	4.1
239.14345	2.3
239.17924	4.0
243.11745	3.6
244.12617	2.3
245.13269	6.7
245.15491	2.2
246.14091	3.9
247.14775	7.0
247.16991	11.6
248.15547	3.3
249.16440	6.3
251.17929	18.9
255.17366	4.3
257.13248	3.5
257.18991	3.1
258.13959	2.4
259.14841	5.3
261.16348	8.2
262.17328	2.7
263.18036	6.4
265.19672	2.8
269.18976	20.6
271.14752	3.6
273.16095	3.4
273.18744	4.8
275.17847	3.9
277.19623	5.5
279.17551	3.1
281.18964	4.0
283.15018	2.4
283.20645	3.7
285.18665	4.9
287.17795	2.6
289.19498	4.7
293.19028	3.5
295.20486	3.9
297.16251	2.4
299.20413	12.5
303.04959	2.9
307.20773	4.0
311.20081	9.3
312.20981	12.6
315.20990	3.2
317.22644	5.5
321.22528	3.1
335.23700	2.8
344.76956	2.3
355.24103	2.5
359.23874	2.7
363.23148	2.7
365.18765	2.1
373.25137	8.4
395.27325	6.8
413.28409	13.5
479.32965	3.8
523.36005	3.3
563.39056	17.5
581.39862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06947	1.3
56.29121	1.3
56.64775	1.4
56.96568	2.3
67.05502	3.8
69.07068	1.4
70.06468	7.1
72.11611	1.5
79.05505	3.7
81.03398	1.8
81.06626	1.3
81.07072	4.4
84.08129	1.6
86.68743	1.2
90.33847	1.5
91.05490	4.2
93.07056	1.9
97.42004	1.3
98.21024	2.5
105.07015	2.0
107.08601	2.7
110.10425	1.5
117.07060	1.5
119.08632	1.6
121.10189	2.4
130.06538	3.1
149.04915	1.6
197.01453	1.4
231.73610	1.5
253.07504	4.0
265.03943	2.3
271.08496	2.8
279.05667	2.4
297.06372	7.3
303.04999	4.3
317.08060	1.4
317.22510	1.4
324.89548	1.5
438.04144	1.5
486.10770	1.8
495.15372	19.3
525.65472	1.6
537.17389	52.2
538.17554	2.1
581.16345	100.0
581.31787	6.7
582.16638	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	581.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.4
55.01842	2.9
55.05509	23.8
57.03412	2.2
57.07073	6.0
59.04995	3.3
67.05508	22.8
69.03415	10.2
69.07065	15.5
71.05000	3.4
73.08291	2.2
79.05494	29.0
81.07059	32.3
83.04971	12.4
83.08620	23.2
83.12817	2.2
85.06546	3.7
87.04521	2.0
91.05475	36.9
93.07049	47.5
95.04977	13.8
95.08614	34.2
97.06522	15.2
98.21105	11.2
103.05469	4.6
105.07028	55.8
107.08597	44.5
109.06522	11.6
109.07153	2.0
109.10139	19.5
111.08073	4.9
113.09643	5.5
115.05434	4.5
116.06245	3.0
117.07019	15.3
119.08577	61.4
121.06526	9.9
121.10136	53.8
123.08066	19.4
123.11691	9.5
125.09635	7.1
128.06244	7.6
129.07022	15.6
130.07816	5.5
131.08585	29.8
133.06560	3.6
133.10127	45.1
135.08066	10.8
135.11674	15.1
137.09630	8.5
139.11195	8.6
141.06999	9.1
142.07782	18.5
143.08568	28.9
144.09344	5.2
145.06567	2.3
145.10132	44.7
147.08083	12.2
147.11673	17.4
149.09624	15.9
149.13312	2.4
151.07545	13.7
153.07016	5.8
153.12819	2.7
154.07881	3.3
155.01041	4.1
155.08525	11.7
155.10690	4.9
156.09370	11.2
157.10132	49.2
158.10909	6.2
159.08067	8.1
159.11682	18.4
161.09654	4.6
161.13258	4.8
163.11143	5.4
165.07013	8.2
165.09105	19.3
166.07701	4.2
167.08595	9.7
167.10689	33.9
168.09360	4.5
169.10130	26.1
170.10918	6.4
171.11671	22.0
172.08859	2.0
173.09656	5.8
173.13242	23.7
175.11307	2.7
175.14919	6.9
179.08563	9.5
179.14250	2.9
180.09340	4.5
181.10098	15.9
181.12277	11.0
182.10945	7.0
183.11705	21.7
184.12474	5.1
185.09695	5.3
185.13252	12.5
187.11192	5.0
187.14755	10.0
187.46519	2.5
189.12737	6.0
191.14285	4.4
192.09421	3.5
193.10153	15.1
194.10944	9.8
195.11702	20.5
196.12479	9.1
197.13287	16.8
199.11295	3.1
199.14822	15.3
201.16447	3.5
203.14323	9.3
205.10126	6.5
206.10941	8.0
207.11746	17.1
207.13750	4.6
208.12527	6.9
209.09789	2.3
209.13275	21.4
210.14063	3.0
211.11243	3.4
211.14861	12.4
213.12769	4.0
213.16385	4.9
215.14410	4.2
217.10117	3.4
217.15945	5.2
219.11751	4.9
220.12483	4.6
221.13268	15.7
221.15416	44.8
222.14061	3.0
223.11295	3.1
223.14832	11.1
224.11635	2.6
225.12845	3.0
225.16409	3.4
227.14490	3.4
229.10080	3.5
231.11746	6.0
232.12500	3.9
233.13216	10.7
233.15456	14.6
234.14008	3.1
235.11095	2.4
235.14784	11.5
237.16496	6.9
239.14436	3.7
239.18024	6.3
241.19539	3.0
243.11777	4.2
244.12329	2.8
245.13332	7.1
246.14047	4.7
247.14807	7.1
247.17049	3.7
248.15688	3.0
249.12744	2.6
249.16418	5.3
251.14323	2.5
251.18010	6.8
257.13370	3.0
258.14093	2.3
259.14822	5.7
260.15649	2.4
261.16394	6.9
263.18024	5.4
265.19699	3.5
267.17365	2.8
269.13211	2.8
269.19095	5.2
271.14944	5.9
273.16318	4.1
275.17899	5.5
277.19479	2.4
279.17776	2.6
281.19122	3.4
283.14828	3.8
283.20560	3.9
285.15939	2.7
285.18710	3.1
287.17743	3.5
291.17270	2.3
295.14655	3.3
297.16068	3.0
299.17465	3.2
299.20419	3.3
307.20465	2.4
312.20932	9.3
313.19333	2.5
315.21341	2.6
319.20853	3.2
321.21701	2.2
329.22849	3.3
331.24609	2.3
347.23633	2.9
373.25293	3.4
383.26642	2.6
393.24316	2.4
395.27628	3.6
407.29599	2.8
413.28534	4.1
553.40216	2.5
563.38721	17.2
581.40015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
65.31641	0.2
67.05494	0.3
69.03427	0.3
71.57436	0.2
71.57830	0.3
79.45853	0.2
83.34531	0.2
88.81117	0.2
93.07029	0.3
95.08570	0.2
97.02900	3.9
100.01175	0.2
115.92692	0.2
119.03560	0.7
130.06538	0.2
136.06187	100.0
137.04576	0.8
137.06586	0.3
137.14682	0.3
153.91519	0.2
159.83185	0.2
168.30788	0.2
245.58418	0.3
246.77814	0.3
248.73953	0.2
250.09448	0.2
348.07034	26.7
368.24738	0.4
475.06354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98931	2.3
55.05514	21.6
57.03444	13.5
57.07072	3.6
59.97663	2.7
65.03947	3.4
67.05162	5.1
67.05509	58.6
68.10794	2.2
69.04346	2.2
69.07075	28.5
71.04989	4.3
79.05500	40.0
81.03426	4.3
81.07066	61.6
83.04990	7.1
83.08619	19.5
91.05495	18.5
93.07048	45.7
93.12719	2.5
95.04982	10.2
95.08614	60.0
96.02075	2.3
97.02921	4.1
97.06532	6.4
97.10166	8.5
98.21248	12.1
99.04489	3.5
103.05571	2.3
105.07038	13.8
107.04964	7.7
107.08601	30.7
109.06538	3.7
109.10182	15.7
111.08086	4.1
117.07050	7.7
119.08569	14.8
121.06508	6.1
121.10149	11.6
122.74461	2.6
123.08067	2.8
123.11774	3.5
133.10164	7.5
135.08095	3.3
135.11703	43.9
137.13290	2.8
145.10133	29.4
147.11740	4.3
163.11186	46.7
181.12286	8.2
209.11734	2.6
227.12811	74.7
246.49915	2.7
283.15421	62.1
285.17126	5.2
308.04279	2.3
335.25830	8.6
337.27371	100.0
347.61002	2.3
463.48184	2.5
530.39099	3.5
545.38446	64.7
580.39642	4.7
580.52954	3.5
581.27454	4.1
581.40637	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	581.1499
Annotation	Quercetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
57.03424	0.5
61.02926	1.2
68.99779	0.4
69.03454	0.4
71.01349	0.3
71.03689	0.6
71.04999	0.5
73.02924	7.6
85.02905	1.2
87.68386	0.3
89.81490	0.3
93.03423	0.4
94.67986	0.3
111.00787	0.8
115.03918	0.9
121.02895	0.8
135.29785	0.3
137.02299	2.2
149.02383	0.6
153.01822	2.6
161.06175	0.3
163.03838	0.4
165.01869	1.8
183.02962	0.5
195.02864	0.5
201.05537	1.4
229.04993	2.7
247.05998	0.8
257.04471	2.5
274.04776	1.1
285.03970	1.0
303.04999	100.0
304.05331	0.9
420.24811	0.3
449.10800	9.9
497.64154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.15
Annotation	Leucoside
Peak:m/z	Relative Intensity
50.55826	0.1
51.37639	0.1
55.01841	0.2
57.03417	0.3
61.02930	1.0
68.99788	0.3
69.03402	0.5
69.32592	1.4
70.06573	0.4
71.01360	0.3
73.02918	7.2
79.03846	0.1
85.02893	0.8
86.09706	0.3
87.04457	0.2
95.04977	0.2
97.02865	0.2
107.04989	0.2
109.02877	0.2
110.07131	0.2
111.00797	0.6
115.03969	0.9
120.08081	0.3
121.02863	2.1
127.03885	0.2
133.02812	0.4
133.04945	0.2
137.02330	0.6
147.04411	0.5
153.01822	2.6
157.06477	0.2
163.14774	0.2
165.01859	1.5
171.04366	0.2
174.24838	0.2
183.02910	0.5
185.05957	0.2
203.03616	0.2
213.05426	0.9
231.06570	0.6
241.04942	0.7
258.05228	0.6
259.05975	0.3
266.36487	0.2
269.04623	0.2
287.05496	100.0
288.05798	0.7
318.19208	0.2
329.06598	0.2
383.07486	0.2
431.31262	0.2
449.10794	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
68.99780	0.3
70.06586	0.6
71.04994	1.4
71.58708	0.3
72.08171	0.3
73.02917	0.4
75.04488	1.2
83.04984	0.3
84.08113	0.4
85.02905	8.4
86.09687	0.7
86.87129	0.2
111.00781	0.5
120.08105	0.3
121.02872	1.8
129.05492	0.9
129.10211	0.3
130.06593	0.3
133.02852	0.4
137.02341	0.5
147.04428	0.3
153.01807	2.5
165.01851	1.4
165.03030	0.2
183.02933	0.7
185.05978	0.3
206.01120	0.2
213.05577	1.0
221.97797	0.2
231.06578	0.5
241.04886	0.6
258.05240	0.8
259.06088	0.3
287.05493	100.0
288.05804	2.0
289.06210	1.3
312.43738	0.3
329.06528	0.2
371.59171	0.2
424.33347	0.2
433.11292	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	579.2603
Annotation	Phellophyll a
Peak:m/z	Relative Intensity
51.26167	1.0
54.28868	1.1
65.49380	1.0
67.05503	3.6
70.19018	3.3
81.07063	1.4
98.21111	2.2
109.10150	2.6
110.86176	1.1
140.83325	1.2
150.46207	1.1
196.43871	1.2
247.61253	1.1
261.13959	1.6
261.41290	1.2
389.17654	1.7
390.18546	1.5
391.19550	1.7
393.20789	1.8
406.17902	1.7
407.22672	2.4
421.20108	7.0
433.16513	2.2
434.17062	2.0
435.18030	4.7
435.22797	2.5
436.22665	14.2
447.22171	1.7
448.18903	2.5
449.19266	9.9
449.29745	1.5
450.24307	2.1
458.24875	1.4
459.22079	1.3
463.21155	8.9
464.21750	1.6
467.37231	3.8
475.20981	11.5
477.22937	5.8
491.24380	3.6
492.21539	15.6
503.24503	3.2
507.27103	1.9
519.23883	2.5
523.27222	9.7
533.25702	1.6
535.27325	2.7
546.06281	1.5
551.26630	24.2
561.25482	1.4
579.26019	100.0
580.26428	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
55.05519	3.2
57.03431	1.7
57.07069	3.4
67.05515	3.1
68.04996	1.6
69.07070	4.6
70.99580	8.9
71.08632	1.5
71.58515	2.2
79.05469	1.6
81.03437	3.1
81.07063	3.8
83.08629	4.0
85.01135	2.7
85.02916	1.2
87.02695	2.4
91.05495	3.1
93.07030	3.0
95.08638	2.3
96.04482	1.4
97.02901	2.7
97.10172	2.1
103.69849	1.1
117.07029	1.3
119.08567	1.7
121.10182	1.7
127.03953	2.3
129.46220	1.4
130.03236	43.0
131.03612	8.3
178.03586	4.8
179.03862	2.3
213.11922	1.1
223.51305	1.4
240.24194	1.4
245.91772	1.4
251.12585	2.7
265.86252	1.1
269.13684	6.3
293.92102	1.2
311.25824	1.6
325.16376	3.5
384.28241	1.7
423.33145	1.4
527.39813	1.4
561.37537	4.5
579.38715	100.0
580.38940	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	578.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01868	4.0
55.05514	19.3
57.03442	10.8
57.07074	3.0
65.33927	1.7
67.05506	45.1
69.07064	15.2
71.04990	2.8
79.05494	39.4
81.03379	1.9
81.07065	43.9
83.04981	4.8
83.08617	13.7
89.74786	1.8
90.28203	1.9
91.05479	17.7
93.06469	3.4
93.07053	61.4
95.04954	8.8
95.08611	61.1
97.02858	3.6
97.06533	4.8
97.10146	2.2
98.21275	14.9
99.04448	3.0
105.07034	15.8
107.04922	5.9
107.08599	43.6
109.06487	2.5
109.10168	12.2
110.22132	1.8
111.04474	2.6
115.30075	1.9
117.07012	10.1
119.08564	15.8
121.06483	6.7
121.10169	22.2
125.05969	3.2
130.07764	2.3
131.08568	4.9
133.10126	6.2
135.08055	3.5
135.11700	52.0
145.10124	29.2
147.11719	2.9
159.11642	3.0
163.11192	61.9
173.09583	2.3
176.24500	1.8
181.12181	9.3
209.11815	3.1
217.53793	1.7
227.12785	100.0
235.75182	2.1
261.22083	5.6
269.40698	1.9
282.42786	2.0
283.12354	4.1
283.15411	76.9
335.25806	96.1
336.26465	2.9
408.24402	2.0
543.36774	57.1
578.39252	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	578.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97035	1.5
53.02069	1.7
53.03944	2.5
53.08516	1.5
54.46814	1.4
55.01873	2.4
55.05508	13.4
57.03445	8.0
57.07079	3.1
65.03934	1.9
65.57370	1.5
66.92493	1.8
67.05508	43.6
69.03415	2.0
69.07061	11.9
70.99568	3.2
71.04987	4.0
71.08666	1.7
72.37527	1.5
75.95512	1.5
79.05058	2.7
79.05492	39.5
81.03426	3.1
81.07059	42.8
83.04974	2.1
83.08601	6.3
85.10162	1.8
87.02666	2.8
91.05488	15.4
93.07040	47.9
95.04962	5.9
95.08606	49.4
97.02903	3.9
97.06549	3.0
97.10139	1.9
99.04430	3.1
99.08069	2.1
105.07027	11.2
107.04935	4.6
107.08598	27.4
109.10143	12.9
111.08062	2.3
117.07036	8.2
119.08585	12.6
121.06511	3.6
121.10151	17.8
123.11684	1.6
125.06033	2.7
125.09561	1.8
127.03957	1.7
130.03217	37.2
131.08507	2.1
133.10089	5.4
135.11696	31.9
139.07533	1.9
145.10112	21.6
147.11694	2.8
152.82756	1.6
159.11639	2.7
163.11177	33.9
173.13275	2.6
178.03548	6.7
181.12233	5.3
187.14941	1.6
197.68437	1.6
227.12770	64.4
261.22162	4.9
283.15381	34.6
314.53757	1.7
317.24786	2.9
335.25784	100.0
358.40842	1.9
366.00427	1.6
543.36810	47.9
579.38489	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	579.1706
Annotation	Kaempferol-3,7-O-di-rhamnopyranoside
Peak:m/z	Relative Intensity
51.41174	0.4
57.03432	2.6
61.02938	0.6
62.79945	0.5
70.98741	0.5
70.99094	0.8
71.04997	16.7
75.04513	0.6
82.20132	0.4
85.02428	0.9
85.02911	13.2
95.99289	0.5
111.00829	0.6
112.89948	0.4
121.02856	2.2
129.05458	3.1
147.04390	0.5
147.06528	0.7
153.01831	3.1
165.01826	1.3
183.02942	0.6
213.05455	0.9
231.06551	0.6
241.04955	0.5
243.19412	0.5
252.33739	0.5
258.05310	0.8
287.05511	100.0
433.11288	6.6
440.41458	0.5
457.76984	0.5
459.59076	0.5
605.35046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57055	0.2
68.99806	0.5
70.76825	0.4
71.04990	0.3
73.02914	5.3
79.05460	0.2
80.71507	0.2
85.02900	0.7
87.04450	0.6
105.03378	0.2
109.02921	0.2
109.58337	0.2
111.00801	0.5
121.02888	1.6
129.05518	0.2
133.02858	0.5
137.02312	0.4
147.04401	0.5
153.01823	2.2
157.06497	0.3
158.02278	0.2
165.01837	1.4
181.84138	0.2
183.02888	0.7
185.06059	0.3
213.05540	0.8
231.06506	0.5
241.04878	0.6
258.05258	0.8
259.06082	0.4
269.04453	0.2
286.04550	0.3
287.05490	100.0
288.05957	1.1
395.07242	0.2
413.08646	0.3
431.09671	1.3
433.11313	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	577.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83020	2.8
60.79500	2.6
69.03416	4.1
70.06583	9.0
70.26046	5.2
70.26395	8.4
72.08149	3.5
84.08165	5.4
86.09709	8.9
98.23007	2.6
110.78846	2.6
118.56401	2.7
129.10246	4.1
130.05019	3.1
131.04945	4.4
137.05962	4.8
146.07272	2.7
158.06100	3.5
160.07610	4.4
161.48460	2.6
172.07553	18.5
279.05411	2.9
355.07428	2.7
500.20700	7.0
577.16754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	16.0
57.07069	9.1
61.02913	4.5
67.05505	34.3
69.03432	19.7
69.07068	46.5
70.06578	8.7
70.88670	4.3
71.57690	6.5
79.05479	10.9
81.03399	10.1
81.06642	5.8
81.07060	80.9
83.08611	21.5
84.04506	6.7
85.02910	40.2
85.06534	14.3
87.00830	20.9
91.05447	6.9
93.07037	14.4
95.04991	5.6
95.08041	6.8
95.08613	100.0
97.02875	15.2
97.10170	15.9
99.04440	8.0
99.08096	8.2
105.01857	16.7
105.07022	7.8
107.08589	22.0
109.02858	9.3
109.10168	52.1
111.08067	6.4
111.11720	13.3
119.08566	6.0
121.10146	9.0
123.11711	21.0
125.13246	5.8
127.03944	33.5
130.05008	5.8
130.06520	15.6
131.06921	5.3
133.10078	6.5
135.11665	10.2
135.50957	3.4
137.13255	12.7
145.04866	5.0
145.10086	7.1
146.06114	3.7
149.13243	13.6
151.14836	19.5
163.14775	5.7
165.16417	13.9
195.65042	4.7
237.21944	4.5
261.95010	4.4
275.27249	8.6
281.28354	4.7
293.28375	16.0
311.29333	16.5
362.20303	4.9
383.29376	4.6
392.72714	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	576.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14773	0.3
51.95825	0.3
53.29745	0.3
56.05019	0.5
57.07072	0.5
58.06596	0.6
60.07879	0.5
60.08165	6.8
67.05491	0.7
71.07378	3.1
71.58678	0.5
74.70844	0.3
81.07042	0.6
84.08151	0.6
86.09707	30.7
91.05461	0.4
93.07050	0.4
95.08591	0.4
98.20938	0.3
98.98469	2.9
104.10749	3.0
107.08542	0.3
109.06499	0.4
123.65865	0.3
125.00008	21.4
130.08632	0.8
177.05489	1.3
184.07346	100.0
393.29834	0.3
435.00574	0.3
495.30243	0.3
535.34827	0.3
558.35632	1.1
576.36298	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	576.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.4
56.00401	7.0
57.03424	17.2
57.07080	43.3
67.05501	25.0
69.07048	14.0
71.08624	21.7
73.84065	6.8
79.05479	10.2
81.03423	64.3
81.07050	32.1
83.08607	24.4
85.10188	9.6
87.04462	8.1
89.06010	10.2
91.05464	14.8
93.07049	10.2
95.04972	17.5
95.08597	27.5
97.10231	7.4
107.08586	7.3
109.10144	13.5
110.67046	6.6
119.08537	12.2
132.01155	7.7
142.90074	6.5
193.12215	20.7
255.03932	7.0
267.15906	91.5
278.77740	8.2
313.27344	100.0
443.52536	9.0
505.38959	78.9
576.50623	16.6
580.65833	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	577.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21507	0.1
57.01586	0.1
68.99805	0.2
69.92682	0.4
69.93102	0.6
70.06577	0.4
71.04975	0.6
73.02920	5.1
74.73000	0.2
84.08147	0.2
85.02914	0.9
86.09700	0.5
87.04453	0.5
88.14423	0.2
98.21000	0.5
107.04968	0.3
111.00791	0.6
120.08063	0.2
121.02868	1.5
127.03906	0.2
133.02829	0.4
137.02396	0.4
144.31552	0.2
147.04388	0.4
153.01839	2.7
165.01817	1.3
183.02888	0.8
213.05420	1.1
231.06554	0.4
241.04857	0.8
258.05258	0.7
259.06131	0.4
269.04361	0.2
287.05496	100.0
288.05795	1.0
395.07565	0.3
413.08685	0.2
431.09778	1.3
433.11292	3.8
596.16553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	14.2
55.01856	6.9
55.05497	21.6
57.03432	9.9
57.07064	8.3
58.48527	4.5
65.03919	6.8
67.05506	79.8
69.03434	41.1
69.07070	25.0
71.04977	13.0
73.02911	6.3
79.05493	100.0
81.02970	7.3
81.03417	77.3
81.07051	77.9
83.04967	15.2
83.08611	17.6
85.02917	24.3
85.06527	5.4
87.04485	7.1
87.50687	4.4
91.05475	65.1
93.07043	86.6
95.04961	19.0
95.08610	64.1
97.02905	36.1
97.06495	13.3
98.21565	7.0
99.04427	6.4
99.08117	6.3
99.97311	5.1
105.07023	50.5
107.04956	8.4
107.08599	41.6
108.04487	33.0
109.02898	22.6
109.06521	10.9
109.10175	30.1
111.08121	6.8
117.07043	23.9
119.08587	39.5
121.10145	58.4
123.08088	9.1
123.11703	13.6
125.09622	5.6
126.05491	11.0
127.03907	14.5
129.06976	15.4
131.08572	31.5
133.10146	45.7
135.08089	6.9
135.11702	29.8
137.09564	5.4
141.07069	6.7
142.07793	6.6
143.08504	9.8
145.06509	7.5
145.10117	37.9
147.11682	22.8
149.09586	8.3
149.13277	8.9
151.11166	4.5
157.10135	15.9
159.08118	4.5
159.11676	23.5
161.09628	9.7
161.13266	7.2
163.14809	5.4
165.09166	6.8
169.10135	12.9
171.08110	5.2
171.11723	13.5
173.13239	19.8
175.11189	10.2
183.11690	11.0
185.13219	6.4
187.11293	8.4
187.14838	12.0
197.13208	4.9
213.16319	6.3
215.17984	22.3
231.17363	8.2
233.19014	13.2
243.13808	5.9
249.18585	9.2
261.18405	6.8
263.20004	6.2
275.20099	10.2
284.60083	4.7
287.20090	6.0
299.19983	6.7
313.21432	6.1
327.89163	4.8
341.21054	18.4
359.22162	18.9
377.23172	20.3
398.64719	4.8
409.08157	4.9
576.50653	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	575.6125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.05262	2.3
55.05512	39.1
57.03432	2.5
57.07077	79.9
57.20454	1.5
58.07409	3.1
65.03952	2.0
67.05505	60.6
68.05840	4.2
68.07464	1.7
68.09288	1.5
69.03387	1.3
69.07068	74.0
69.82895	5.2
69.83311	2.7
70.03229	1.8
70.07413	2.1
71.04988	7.6
71.08633	66.7
72.08959	2.3
79.05500	14.2
81.07059	100.0
82.07407	7.8
83.08620	62.1
84.08975	1.8
85.06540	2.7
85.10182	38.3
85.11275	1.7
85.84171	1.7
86.10521	1.9
87.04462	7.0
91.05505	8.7
93.07053	12.0
94.07377	1.9
95.08608	97.6
96.08935	4.9
97.06544	3.0
97.10172	47.6
98.20921	3.8
98.21452	2.5
99.11748	5.8
105.07025	6.1
107.08582	7.9
109.10159	61.5
110.10499	2.0
111.11716	38.3
113.13302	1.9
119.08554	2.5
121.10164	5.4
123.11699	25.7
124.12047	1.8
125.13248	14.4
127.14819	2.6
131.08510	2.0
133.10136	7.1
134.10515	1.9
135.11699	3.4
137.13258	11.0
139.14796	3.2
149.13290	2.5
151.14792	10.9
153.16335	2.3
161.13275	1.6
165.16367	8.3
179.18024	4.9
241.47810	1.9
242.70947	1.8
252.50584	1.6
252.80292	1.6
271.41400	1.8
291.30518	3.0
301.20209	4.3
302.20566	3.1
305.32153	2.0
311.25568	2.0
313.27444	7.3
314.27698	5.9
323.49338	2.1
361.38336	2.9
481.38644	3.7
482.39291	36.7
496.40851	2.4
508.41034	2.5
540.43433	18.3
557.60376	14.0
573.33575	1.8
575.41565	2.8
575.49823	26.0
575.60864	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.05506	18.8
57.03429	10.3
57.07067	14.0
65.14843	2.3
67.05492	12.3
69.07064	17.5
70.00737	9.9
70.01167	4.9
71.08623	7.2
79.05506	12.5
81.03416	58.2
81.07047	9.9
83.08627	25.5
85.10178	3.1
85.77968	2.6
86.00365	2.9
87.04469	26.2
87.77090	2.9
91.05480	10.5
93.07050	5.1
95.04955	17.3
95.08603	7.2
97.10136	16.7
105.07026	9.5
107.05012	2.8
107.08604	3.2
109.10157	3.8
110.30965	3.1
111.08098	4.1
111.11723	4.4
119.08572	8.2
121.10101	8.1
129.06979	4.0
131.08566	2.8
133.10149	4.6
142.07867	3.9
147.11745	5.0
149.02678	3.1
155.67981	2.8
157.10109	8.3
161.41637	2.7
165.11539	2.8
167.27644	3.0
175.11168	7.0
193.12218	18.7
218.36827	2.6
229.65150	3.0
267.15930	100.0
309.12936	3.6
311.25769	56.7
349.69638	3.1
467.73492	2.7
503.37283	43.4
574.38904	3.0
574.48590	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	574.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57881	1.4
54.23840	1.8
55.05515	10.8
57.03426	5.5
57.06821	2.0
57.07080	31.4
67.05173	2.4
67.05506	37.4
69.07080	10.0
70.71423	3.6
70.71782	2.5
71.05000	17.8
71.08632	23.3
79.05492	11.4
80.24407	1.5
81.07057	63.1
83.05003	2.3
83.08636	11.8
85.06531	6.4
85.10191	12.9
87.04468	14.5
87.49404	1.6
91.05468	18.2
93.07052	11.9
95.08617	23.1
96.08968	1.6
97.06552	3.7
97.10147	5.4
98.06120	1.5
100.15410	1.5
105.07020	6.2
107.08595	8.6
109.10163	13.8
117.06998	2.0
121.10156	4.2
122.86849	1.5
123.11712	13.0
131.08626	2.6
133.10136	8.7
135.11722	3.9
149.13275	3.4
151.11189	4.2
159.11627	2.8
161.13304	2.3
183.13730	2.6
187.13332	4.6
195.13762	1.7
197.73222	1.6
213.44112	1.6
239.23705	1.7
269.17349	3.7
283.26205	3.3
298.10693	1.7
301.20010	20.7
313.27356	27.6
423.75299	1.6
481.38901	100.0
482.39380	2.3
495.40268	5.4
507.40417	3.6
539.43121	44.1
574.40222	3.2
574.48865	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	575.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.3
55.05512	20.3
57.07074	11.0
59.04994	6.8
65.15979	3.5
65.62579	3.4
67.05499	23.9
69.03439	17.8
69.07072	100.0
69.59196	3.5
70.06594	6.0
71.04993	9.1
71.08631	5.1
71.57590	5.6
79.05504	19.1
81.03419	11.2
81.07058	78.4
82.55022	3.4
83.04960	5.3
83.08616	26.7
85.02885	17.8
85.06550	11.8
87.00809	5.9
91.05492	7.5
93.07023	28.0
93.08916	3.4
95.04991	8.1
95.08611	56.8
97.02901	12.5
97.06525	5.4
97.10182	10.7
98.21104	4.3
99.04485	5.8
99.08072	17.8
103.90884	3.6
105.01894	6.1
105.07041	12.7
107.08594	18.1
109.02876	7.8
109.10179	35.3
110.78931	3.9
111.08117	6.7
111.11710	13.5
119.08564	10.2
121.10127	17.5
123.11716	14.7
127.03926	12.5
130.06522	7.7
133.10158	8.5
135.11684	6.6
137.13275	21.0
139.11182	11.3
143.00117	3.7
147.11649	4.0
149.13266	13.3
158.40741	4.0
163.14812	6.4
167.14359	6.9
291.26935	10.8
295.30200	3.6
297.27869	89.8
309.27887	52.1
327.28943	9.3
387.40448	4.1
575.24695	5.7
586.52362	4.2
595.12042	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	574.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46801	1.6
55.05511	6.0
57.03433	3.9
57.06824	2.9
57.07080	35.4
63.22797	1.6
66.54110	1.9
67.05509	14.2
69.07064	11.6
69.53214	13.3
71.08634	29.2
73.02900	1.7
75.04475	1.8
79.05497	2.8
81.07058	15.7
83.08620	11.9
85.06583	2.2
85.10178	14.7
87.04474	2.7
91.05446	2.0
93.07037	4.0
95.08600	24.1
97.10146	5.5
98.20740	2.7
98.21349	5.2
109.02888	3.6
109.10139	10.6
109.56843	1.8
123.11713	4.5
191.00072	2.1
239.23721	31.7
256.26334	6.0
313.27383	100.0
314.27524	2.2
331.28400	10.5
401.55026	2.0
539.28705	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	574.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	17.4
57.07061	22.5
67.05491	17.5
69.07056	22.5
71.08601	12.4
71.62520	8.1
74.71296	7.6
79.05478	18.9
81.03423	55.5
81.07043	21.2
83.08611	31.0
87.04463	95.5
90.54964	7.0
91.05513	17.3
93.07057	10.0
93.90114	7.3
95.04961	20.9
95.08602	13.5
97.10175	20.4
98.21094	9.5
100.89080	7.4
105.07023	11.3
111.08104	6.9
119.08539	8.8
121.10154	13.6
131.08519	10.4
157.10115	11.9
174.20444	7.5
193.12268	18.1
267.15955	100.0
311.25729	54.1
373.15826	7.6
470.19696	7.9
503.37238	31.2
574.39667	11.3
574.48853	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	574.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19070	1.0
53.03935	2.4
54.40591	0.9
55.01862	1.6
55.05503	6.5
56.05027	1.7
58.99585	11.4
60.33852	1.0
62.67693	0.9
67.05164	1.3
67.05499	16.7
69.03400	1.0
69.06786	1.1
69.07075	12.5
70.02939	1.4
70.06583	4.4
70.11532	3.4
71.04988	2.5
72.08134	1.1
74.00658	8.0
76.02228	21.4
76.03988	2.8
77.84030	1.1
79.05495	21.9
80.05009	1.4
81.03399	1.7
81.07056	20.4
83.04967	3.3
83.06088	3.3
83.08615	2.1
84.04498	13.7
84.08132	1.3
85.02900	1.0
85.04036	0.8
85.06518	2.6
86.09703	2.5
86.99043	5.2
88.02216	2.8
91.05475	21.3
93.06467	1.8
93.07043	32.1
95.04964	2.8
95.08607	14.3
97.06519	2.4
99.05554	2.6
105.07033	17.9
107.07871	1.3
107.08591	21.8
109.06517	1.9
109.10142	5.8
114.03725	1.7
116.01678	28.0
117.07027	7.4
119.08575	19.7
120.08089	1.1
121.06483	1.2
121.10137	12.3
122.11900	1.0
123.08059	2.3
123.11711	2.4
129.06731	4.3
130.05019	4.9
130.06500	1.7
131.08591	10.7
133.10120	21.2
135.08031	1.8
135.11691	17.1
137.09631	1.3
142.03252	5.1
143.08569	5.1
144.01154	12.2
145.06078	3.4
145.10095	8.6
147.08044	1.0
147.11678	17.0
149.09604	2.1
149.13261	4.7
151.05713	1.2
151.11203	2.2
157.10147	5.4
159.11720	4.9
161.09628	4.3
161.13243	3.3
162.02202	50.6
163.05693	1.1
163.11168	3.4
165.12704	1.7
170.02696	2.3
171.11717	4.8
173.13275	1.1
174.04031	1.1
175.11172	3.2
177.03349	2.3
179.04871	16.6
179.10661	2.7
181.12251	1.2
181.43828	1.3
185.03868	1.5
185.13255	2.7
187.05345	1.3
187.14775	3.4
189.12706	2.6
189.16377	4.5
193.12192	3.0
196.13330	1.5
199.14764	1.0
201.16353	2.3
203.14323	2.6
203.17943	3.0
207.13809	2.3
213.16418	5.9
229.15750	1.5
231.04417	2.0
231.17429	12.4
233.05844	1.6
245.05942	3.0
247.16936	3.8
249.18494	100.0
263.14523	1.0
267.19522	2.5
273.18683	1.1
279.14154	3.2
281.15671	3.6
306.18811	4.0
307.17175	1.7
308.09113	4.7
324.19955	6.5
334.18170	1.2
342.20978	28.4
392.19040	1.6
410.19736	4.3
427.22662	15.7
428.20972	11.1
445.23657	24.0
481.23560	1.3
499.24811	14.5
556.26581	2.7
574.17975	2.2
574.27692	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	573.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.2
55.01863	5.3
55.05261	1.7
55.05510	20.0
56.05044	2.0
57.03432	4.8
57.07066	5.3
59.04981	3.5
61.02909	3.8
67.05505	19.4
68.99792	2.1
69.03432	28.6
69.07069	100.0
70.06590	8.8
71.04980	5.7
71.58141	2.6
72.08162	2.9
73.02906	3.7
79.05478	10.5
81.03418	26.9
81.07056	57.3
82.06580	1.9
83.04968	4.0
83.06116	2.6
83.08615	11.4
84.04523	8.5
84.08149	4.6
85.02422	2.9
85.02908	45.2
85.06528	6.9
86.09698	4.6
87.00830	17.2
87.04426	2.4
91.05480	11.1
93.07047	21.9
94.06545	1.9
95.04971	10.8
95.08607	46.7
97.02890	13.9
97.06524	6.9
97.10168	6.5
99.04459	11.4
99.08094	8.6
101.02359	1.6
101.06026	1.7
105.01861	10.3
105.07028	18.2
107.04892	2.8
107.08601	18.8
109.02875	22.1
109.06493	7.3
109.10155	28.1
110.39567	1.6
111.08079	5.5
111.11731	28.3
112.07607	1.5
117.05106	1.4
117.06989	4.8
119.08568	13.1
120.08109	1.5
120.71117	1.6
121.06448	2.9
121.10154	16.9
123.08094	3.6
123.11713	21.7
125.09622	2.8
127.03920	35.4
127.11169	5.3
129.06683	2.2
130.04971	5.8
130.06548	6.0
131.08554	5.3
131.31027	1.6
133.10123	8.8
135.08058	3.8
135.11697	9.4
136.07538	2.3
137.05995	1.9
137.09619	2.0
137.13263	4.7
138.09177	2.1
139.11179	26.1
143.08566	3.3
145.04985	7.6
145.06548	1.9
145.10126	7.1
147.07776	2.5
147.11690	9.1
149.09593	3.4
149.13301	9.0
151.11192	2.7
151.14796	8.0
153.12695	3.3
155.10771	2.0
157.10121	3.3
157.12222	10.1
159.02892	6.3
159.11684	6.8
161.09639	2.7
161.13263	7.5
163.03886	8.7
163.14790	3.4
165.12749	4.0
167.14310	3.2
171.07896	1.8
171.11597	2.0
173.13283	3.7
175.14876	4.0
177.12726	3.6
179.14259	6.7
182.15427	2.1
185.09451	1.9
187.14772	2.4
189.16240	2.1
190.02086	1.6
207.17416	2.3
213.03900	3.3
215.18132	3.2
231.04977	5.6
237.18672	1.9
243.17719	1.8
251.19943	1.9
259.11172	4.5
271.24307	2.0
277.25281	2.4
289.25372	10.9
291.26782	1.8
291.53165	1.6
295.26358	9.1
307.26306	73.1
325.27383	15.2
397.27435	2.2
433.29425	3.5
459.68558	1.9
509.35077	1.9
519.29529	2.4
537.29938	1.8
555.23584	2.1
555.31525	9.7
558.01489	1.8
573.26074	7.2
573.35541	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	573.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
56.05036	2.0
57.07066	0.5
69.07075	0.7
69.45519	0.4
70.06589	2.9
72.08160	1.2
73.02933	0.6
84.04507	1.7
84.08161	1.2
85.06555	0.6
86.06068	100.0
86.09706	2.7
87.06399	0.6
98.06052	18.0
99.00837	0.6
101.07160	0.4
102.05533	0.8
113.06018	1.5
115.08693	75.0
120.08145	0.5
121.18974	0.5
124.07597	1.1
125.07116	5.9
129.10226	0.6
130.06549	0.5
130.08629	0.9
132.94081	0.4
141.06599	0.6
142.08656	2.6
143.03365	2.5
148.73279	0.6
149.00525	1.5
161.04424	0.5
165.00012	1.1
183.09523	0.5
184.09669	1.0
192.99551	9.8
195.01088	2.3
195.04805	0.6
206.02719	1.3
217.23416	0.5
221.02664	1.1
227.13873	4.3
238.05229	0.6
266.04800	1.7
309.09045	5.0
421.14328	1.0
439.15305	3.1
443.11234	32.0
444.11343	0.6
528.91968	0.5
555.16321	11.7
596.04443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01866	1.4
55.05507	1.1
57.68380	0.5
67.05499	2.0
68.05014	0.8
69.07058	0.6
70.06590	2.9
71.04974	0.6
71.58569	0.5
72.08143	1.6
74.00661	1.2
76.04002	1.7
76.70838	0.6
79.05486	1.7
80.05008	2.6
81.07054	6.4
83.06089	1.3
84.04510	8.8
84.08134	1.3
85.02909	1.0
85.04043	3.2
86.09694	2.7
91.05479	1.4
92.01674	1.0
93.07033	0.9
94.06553	1.0
95.08620	4.3
97.01105	2.1
97.06583	0.8
98.00719	0.7
99.05555	1.3
101.04233	2.1
101.07088	0.6
102.05531	1.1
105.07070	1.3
110.06030	1.6
110.07178	0.8
112.02188	8.0
112.03953	1.7
113.00631	0.7
113.03500	1.5
117.06989	0.6
118.06577	0.7
120.08109	1.8
121.08433	0.6
123.08092	2.9
124.01317	1.2
124.02180	18.4
126.03741	1.0
128.01672	2.0
129.06592	1.2
129.10233	0.9
130.05016	8.8
130.06483	2.9
131.04543	3.2
132.08104	1.1
135.02635	0.7
136.02194	2.7
137.04228	0.7
138.03714	1.5
138.05515	6.5
140.01617	1.0
142.03217	10.0
145.06071	1.2
146.09662	0.6
147.02660	0.6
150.03758	3.9
152.01646	2.9
153.06587	1.0
158.02702	2.3
159.02197	0.8
159.09229	1.1
161.04184	1.2
163.05733	0.9
164.01643	2.1
164.05412	0.6
164.07021	0.8
170.02718	62.8
171.03166	0.6
172.11241	0.9
177.03320	11.4
178.03239	1.3
178.06914	0.9
178.08553	1.3
181.06119	1.4
182.02684	2.7
184.04272	1.2
185.03868	4.6
194.02678	3.2
196.04269	4.1
206.09956	1.5
216.08435	1.7
218.11758	3.5
219.12517	0.7
220.13278	1.0
222.02173	2.0
222.09427	0.7
223.07967	1.2
224.10994	1.6
228.10153	0.8
229.10962	1.5
230.11780	0.8
231.04352	9.0
234.09503	10.3
236.07298	2.3
236.12814	3.8
242.12044	2.2
245.90704	0.6
246.11440	0.8
252.10544	14.7
260.11130	1.5
262.09006	4.9
266.13956	8.5
268.15466	2.2
270.11652	1.9
278.12100	1.8
280.10031	22.3
288.06558	0.8
298.11081	100.0
299.11368	1.7
300.12766	0.7
306.08093	0.8
306.11563	6.5
320.48538	0.7
323.14206	3.8
324.12610	19.4
325.12671	0.6
334.11111	8.9
341.15298	9.6
351.13638	4.1
352.12088	5.2
352.80045	0.6
369.14856	4.7
389.15347	1.2
407.16708	0.8
444.17999	24.0
445.17908	0.7
480.17880	0.8
498.19266	4.2
573.13013	1.8
573.22760	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	572.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
53.17622	2.0
54.68828	1.5
55.05265	2.0
55.05512	36.6
57.03421	5.5
57.07078	14.9
61.04813	1.8
61.24332	1.5
67.05170	2.9
67.05508	46.7
67.87055	1.7
69.07074	38.7
71.04992	18.5
71.08648	7.9
73.06564	1.6
79.05492	18.0
81.07060	70.5
83.04986	1.8
83.08147	2.0
83.08627	31.2
85.06541	9.4
89.06016	2.6
91.05488	18.5
93.07032	16.8
95.04961	2.2
95.08619	11.0
97.06528	3.1
97.10165	24.9
98.21116	9.7
105.07052	11.0
107.08620	10.4
108.60638	1.6
109.06499	2.3
109.10159	10.0
111.11710	7.4
112.12163	1.5
117.06986	2.1
119.08565	2.8
121.10138	6.9
123.11704	9.5
131.08528	4.3
133.10146	11.0
135.11679	5.0
140.88966	1.6
145.10188	3.6
147.11671	2.0
149.13255	5.7
151.11183	4.7
159.11700	6.1
177.12782	2.5
183.13741	2.1
187.13275	3.4
188.47530	1.7
198.80939	1.8
257.17496	2.3
269.17334	4.2
301.20166	17.4
311.22565	2.9
311.25845	30.6
479.37347	100.0
480.37619	3.4
493.38977	4.5
505.38718	6.1
537.33801	3.2
537.41504	52.0
572.47998	16.5
573.48926	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	570.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69183	0.7
53.03947	1.7
55.01887	1.9
55.05510	15.0
56.05043	5.2
57.03429	0.7
57.07079	7.4
58.06571	0.9
60.04527	100.0
65.03938	1.2
67.05508	20.0
68.05033	0.9
69.03416	0.9
69.07069	17.5
70.06602	3.9
71.05034	0.8
71.08634	4.5
71.32352	1.5
72.04520	5.8
73.31915	0.6
74.06084	2.8
79.05492	14.4
80.05008	1.0
81.03426	4.8
81.07058	23.2
82.06586	4.0
83.04989	1.9
83.08623	11.3
84.08144	1.4
85.02953	1.0
85.10197	1.8
85.32291	0.6
86.06076	3.6
88.07630	0.9
89.06047	5.1
90.05553	3.8
91.05484	13.5
93.07048	11.9
94.06570	7.4
95.04990	3.3
95.07362	2.6
95.08608	19.5
96.08144	2.7
97.06550	2.4
97.10177	6.8
98.06055	2.3
99.04457	0.9
105.07025	9.2
107.08594	7.3
108.08127	2.1
109.06544	1.8
109.10162	8.3
110.09711	1.5
111.08117	2.6
111.11740	1.8
112.07648	1.3
117.07031	0.7
119.08588	9.5
121.10132	6.9
122.09702	2.9
123.08087	1.5
123.11722	3.1
133.08617	3.4
133.10117	7.0
133.10927	0.7
134.09639	1.0
135.11674	4.4
136.11305	0.8
137.09631	2.1
137.13286	1.2
145.10165	0.9
147.11699	3.0
149.13306	2.3
153.09129	0.8
161.13322	1.9
162.67978	0.6
163.14816	0.8
175.14812	1.0
177.11278	1.6
183.21448	0.6
201.06865	0.7
219.21100	1.5
233.22664	1.8
234.22276	0.8
245.22635	5.6
250.25293	3.5
252.26898	1.1
254.24899	1.0
262.25311	46.1
263.23608	8.9
266.24847	1.5
268.26477	2.4
272.25885	8.7
276.91043	0.7
280.26370	37.0
281.24609	1.1
298.27429	16.2
314.27045	2.9
316.28510	3.1
322.86148	0.7
328.28516	0.7
337.48322	0.6
344.27847	1.8
371.22809	2.4
403.29031	0.7
471.71201	0.7
504.47690	1.2
516.47784	4.9
534.48877	17.1
534.56848	1.1
552.49884	99.1
553.50818	1.7
565.91125	2.4
570.51117	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	572.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01870	2.0
55.05508	2.2
57.03434	0.7
57.07046	0.4
67.05505	4.5
68.05012	1.7
69.03421	1.5
69.07050	1.1
70.99578	15.9
71.58746	0.5
73.58954	0.3
74.55360	0.4
78.03436	0.7
79.05488	4.0
81.03411	3.2
81.07053	3.5
82.06576	0.5
83.08627	0.5
85.01121	4.4
85.02888	0.8
87.02692	4.7
91.05487	2.0
92.90639	0.3
93.07040	3.8
95.04977	0.5
95.08630	2.1
96.04505	3.0
97.02901	1.6
97.10172	0.4
98.06045	0.6
99.04414	0.4
101.04311	0.5
105.07036	2.3
105.76572	0.3
107.08606	1.7
109.02905	0.5
109.10167	1.6
112.02190	0.5
114.03737	0.5
117.07004	0.7
119.08557	1.2
121.10146	2.1
123.08052	0.4
127.03932	0.7
129.07013	0.4
130.03227	100.0
131.03511	0.4
131.08582	1.2
133.10132	1.2
135.11720	1.0
137.09666	0.6
145.10117	0.9
147.11700	0.9
149.13278	0.6
159.11694	1.0
171.11713	0.5
178.03555	21.0
215.17970	0.8
224.95715	0.4
233.18987	0.6
383.24274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26648	1.7
53.03936	2.4
55.05510	24.6
56.05027	6.8
57.07069	10.0
58.22606	1.7
59.18472	1.8
60.04525	100.0
67.05502	29.6
69.06728	1.8
69.07070	25.3
69.88981	2.6
69.89290	10.2
70.06595	3.7
71.08626	6.1
72.04501	7.2
74.06075	3.6
78.40795	1.6
79.05495	21.4
79.65746	1.7
80.05013	2.6
81.03423	4.9
81.07047	27.0
82.06580	5.2
83.08616	17.3
86.06071	5.7
89.06025	14.8
90.05542	3.0
91.05486	18.6
93.07031	19.8
94.06579	6.9
95.04974	3.8
95.07383	2.1
95.08604	28.2
96.08127	3.8
97.06550	3.9
97.10139	12.2
98.21509	2.1
105.07040	13.6
107.08582	10.6
109.10165	8.4
111.08097	2.6
111.11735	3.3
117.06942	2.3
118.97408	1.7
119.08598	11.9
121.10137	6.6
122.09612	3.2
123.08077	3.9
123.11727	3.4
131.08531	1.7
133.08604	9.4
133.10124	5.0
135.11699	6.2
137.09602	2.1
147.11720	2.9
148.31177	1.7
149.13303	3.2
161.13295	1.7
177.11165	2.4
205.19514	2.1
234.90034	2.0
245.22705	5.0
250.25313	4.1
262.25293	41.4
263.23605	9.5
269.21545	1.9
272.25778	9.6
276.90851	2.7
280.26376	40.5
298.27438	18.7
314.26874	2.5
316.28583	3.8
371.22659	5.2
447.44077	2.0
453.67264	2.1
516.47876	4.3
534.48846	22.7
552.49890	98.8
565.91162	4.1
570.50555	5.4
571.47241	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.9
55.01876	1.8
55.05513	14.5
56.05035	5.8
57.07074	8.0
58.02960	0.9
58.06606	1.8
60.04528	100.0
60.39743	0.5
65.03941	1.3
67.05505	22.0
68.05028	0.5
69.03413	0.6
69.07069	19.6
70.02972	0.7
70.06596	3.6
71.05013	0.7
71.08631	4.6
71.12498	1.0
72.04516	5.5
74.06087	2.6
79.05499	13.6
80.05022	1.7
81.03419	5.1
81.05795	0.8
81.07059	22.3
82.06587	4.6
83.04986	1.2
83.08620	13.3
84.08157	1.4
85.02916	0.7
85.06561	0.8
85.10154	2.6
86.06070	4.2
88.07660	0.7
89.06020	4.5
90.05553	4.5
91.05482	14.4
93.07046	12.3
94.06568	7.1
95.04980	4.0
95.07385	1.8
95.08607	22.6
96.04514	0.7
96.08133	3.5
97.06552	2.7
97.10183	6.4
98.06069	2.2
99.06915	0.8
100.07629	1.1
105.04558	0.8
105.07028	8.7
107.08597	6.9
108.08143	2.5
109.06566	1.5
109.10165	7.4
110.09702	1.4
111.08096	1.3
111.11742	1.8
112.07616	1.6
114.09201	0.9
116.07099	0.8
117.07078	0.6
119.08584	10.1
121.10139	7.4
121.84335	0.5
122.09708	2.5
123.08083	1.2
123.11751	2.2
124.11264	0.6
126.09102	0.6
133.08647	2.8
133.10138	7.2
134.09691	0.9
135.11667	3.3
136.11232	0.9
137.09645	2.2
137.13264	0.9
145.10152	0.5
147.11694	3.0
149.13274	1.3
151.11247	0.6
151.14856	0.6
161.13324	2.1
163.14838	1.2
175.14841	1.3
177.11267	0.8
180.48871	0.6
185.66675	0.5
219.21085	1.2
233.22699	1.4
234.22165	0.7
238.25339	0.8
245.22614	5.9
250.25336	4.1
252.26921	1.0
254.24875	1.8
260.23752	0.6
262.25308	41.8
263.23663	8.2
266.24835	1.0
268.26486	1.6
271.15552	0.6
272.25851	9.0
280.26352	39.8
298.27432	17.0
298.30676	0.8
314.26929	4.3
316.28415	2.8
326.26950	0.9
344.28015	1.8
365.41315	0.5
371.22827	1.4
378.78595	0.5
416.00562	0.7
516.47736	4.6
534.48865	20.8
552.49890	92.4
553.50262	2.2
565.91150	1.4
570.51086	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	568.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99160	1.6
53.03941	4.6
54.73462	1.7
55.05509	17.0
57.03432	6.5
57.07079	8.9
59.85511	1.6
65.03945	3.2
67.05505	61.8
69.07059	7.5
69.74706	1.9
70.06586	4.6
70.98826	2.7
71.04626	2.3
71.04991	17.8
71.08614	3.8
79.05492	46.0
81.07057	85.8
83.04981	2.3
83.08632	8.6
85.06532	7.2
87.04464	2.2
88.07621	5.5
91.05470	26.5
93.07047	48.2
95.04972	5.3
95.08604	28.9
97.06507	3.8
97.10161	2.9
102.09174	5.3
105.07024	16.9
105.79443	1.6
107.08601	16.8
109.06490	2.2
109.10164	8.7
117.07014	4.7
119.08594	7.0
121.10137	24.6
123.11687	8.9
129.07004	2.8
131.08578	8.3
133.10132	16.3
135.11713	7.9
145.10077	5.4
147.11681	4.6
149.13257	6.2
151.11142	3.7
159.11684	6.2
173.13222	2.6
183.13828	2.0
187.13336	4.6
195.13914	1.8
215.17969	2.9
240.26961	1.8
269.17441	6.2
283.26334	16.2
284.29556	10.2
301.20084	16.5
307.22696	42.7
311.29333	15.2
312.32544	3.4
457.32849	2.1
475.34183	100.0
476.34155	2.2
489.35025	3.4
501.35608	6.1
533.38379	47.0
568.42670	3.0
568.56610	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	568.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.1
53.03933	3.9
53.89632	1.0
54.11938	0.9
55.05300	1.0
55.05512	10.1
56.04135	0.9
57.07079	8.0
59.05000	1.5
65.03928	3.0
67.05500	16.3
69.03402	2.9
69.06726	1.0
69.07069	12.3
69.28181	1.4
69.28584	7.5
70.06562	1.3
71.04993	1.1
71.08620	2.1
77.03915	2.0
79.05048	1.7
79.05487	23.3
79.78868	0.9
80.06277	3.3
81.06570	1.6
81.07055	32.9
83.04971	4.2
83.08602	4.2
85.06530	4.1
88.07623	2.3
91.05476	43.4
92.06291	2.3
92.27935	1.0
93.07040	53.7
94.07838	2.0
95.04355	2.0
95.04965	39.9
95.08047	1.8
95.08606	27.9
97.06518	2.4
97.10127	1.6
98.20771	1.6
102.09123	1.7
103.05448	4.0
105.07027	83.9
106.07806	3.0
107.08589	41.3
108.05782	0.9
108.09380	2.0
109.06522	4.6
109.09444	1.4
109.10149	18.5
111.08090	1.9
115.05434	5.2
116.06237	2.4
117.07018	26.3
118.07768	3.3
119.08574	100.0
120.09380	8.3
121.06464	2.0
121.10137	31.2
123.08072	14.3
123.11750	4.6
123.75675	0.9
124.74565	0.8
125.09610	2.1
128.06219	11.5
129.07002	18.6
130.07774	7.5
131.08568	49.0
132.09381	9.9
133.10124	55.2
134.10942	5.7
135.08067	5.5
135.11696	14.9
137.09619	5.6
138.10373	7.7
139.11208	1.9
140.81967	0.9
141.06984	8.3
142.07773	18.0
143.08554	43.9
144.09338	14.7
145.10120	88.8
146.10912	6.0
147.08018	2.9
147.11671	21.8
148.12331	1.1
149.09654	4.6
149.13228	4.0
151.11142	2.9
151.14885	1.0
152.06232	1.0
153.06978	3.2
154.07738	3.8
155.06003	1.1
155.08551	14.1
156.09341	17.2
157.10123	50.9
158.10934	9.6
159.08000	2.0
159.11691	39.5
159.13022	1.9
160.12459	3.8
161.09622	6.8
161.13257	7.6
163.11172	4.1
165.06963	4.4
166.07782	3.2
167.08543	9.1
168.09349	6.3
169.10120	25.6
170.10930	8.3
171.11681	33.0
172.12445	6.5
173.09604	1.5
173.13263	24.9
174.14056	2.1
175.11148	1.5
175.14822	19.1
177.12732	5.0
179.08554	9.2
180.09312	4.9
181.10130	13.9
182.10884	8.8
183.11688	27.4
184.12508	4.4
185.13255	25.2
186.14014	6.7
187.11205	1.9
187.14798	12.9
189.12624	4.3
191.14290	9.0
192.09305	2.8
192.15181	2.0
193.10097	8.2
193.15865	2.2
194.10878	8.4
195.11685	20.8
196.12428	7.7
197.13255	25.1
198.13989	6.2
199.11105	1.8
199.14832	11.1
200.15445	1.7
201.12708	3.9
201.16399	6.7
203.14285	2.7
205.10045	2.7
205.15846	2.9
206.10884	4.0
207.11678	12.5
208.12451	4.4
209.13237	26.7
210.13962	3.5
211.14795	18.8
212.15518	2.0
213.16367	4.9
215.14294	2.5
217.10100	1.2
217.15935	4.6
218.16579	1.0
219.11676	2.7
219.17418	1.3
220.12318	2.2
221.13271	9.5
222.14055	3.0
223.14789	13.6
224.15596	4.8
225.16330	8.8
226.17203	1.8
227.14346	1.3
227.17888	2.1
229.15948	1.3
231.11650	2.0
231.17421	2.4
233.13174	3.4
234.14015	1.5
235.14786	6.0
236.15518	1.8
237.16299	7.6
238.17157	1.5
239.17911	5.6
241.04976	0.9
241.15933	1.1
241.19539	2.2
245.13272	1.3
247.14850	2.5
248.15501	1.9
249.16438	4.2
250.17134	1.2
251.17941	3.5
253.19492	2.5
255.17459	2.6
257.19073	2.8
259.20609	2.7
261.16382	3.5
263.17859	4.3
265.19485	4.1
267.17410	1.1
267.21011	1.8
269.18924	1.6
270.19626	1.3
272.21164	1.4
273.16379	1.5
275.17990	2.1
277.19504	4.1
279.21014	2.4
281.19052	1.2
283.20517	3.5
283.26212	1.8
284.29419	3.8
285.22012	2.6
289.19452	1.2
291.20828	1.4
295.20490	1.0
296.21396	1.1
297.22113	3.0
305.22620	2.5
311.29401	3.0
312.32578	1.3
323.23663	7.1
324.24631	1.8
331.24146	1.3
333.25897	1.3
337.25256	2.6
338.26025	40.7
349.25262	1.8
351.26761	1.8
397.28467	1.1
402.28687	1.2
420.30142	2.6
429.31406	1.6
430.32285	14.6
458.35468	1.3
476.30231	1.8
476.36484	16.3
568.42786	23.3
568.56354	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	568.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.05513	10.7
57.03436	7.3
57.07074	4.3
65.03942	1.6
67.05507	36.6
67.05869	2.2
69.03426	2.1
69.07071	10.3
70.06582	3.3
71.04993	13.0
71.08633	1.8
79.05492	28.0
81.03439	1.6
81.07058	27.3
83.04971	2.3
83.08602	4.6
85.06538	1.8
85.10172	1.3
87.04467	1.6
88.07642	4.4
91.05474	13.8
93.07047	30.5
95.04958	2.8
95.08610	100.0
97.06516	3.0
97.10149	3.0
98.20748	3.0
98.21469	2.9
102.09156	3.4
105.07031	11.0
107.08593	12.7
109.10143	4.2
117.07012	3.2
119.08601	5.5
121.10147	15.1
123.08066	9.4
123.11717	0.9
125.09662	2.6
131.08563	7.8
133.10132	4.1
135.11703	4.4
139.11180	1.4
141.09103	4.3
145.10135	3.7
147.11673	3.6
149.09612	2.1
149.13203	2.5
159.10172	4.0
159.11707	2.6
167.10646	1.2
173.11818	1.0
173.13251	2.0
187.14684	1.1
199.13245	1.5
229.14375	1.6
241.14386	2.2
251.85188	1.0
259.20416	1.3
261.22067	2.9
273.16974	19.3
283.26343	3.5
284.29465	9.9
302.30698	1.4
311.29437	8.4
312.32416	2.6
327.61902	0.9
335.25784	17.9
365.28479	1.4
383.29562	1.5
401.30212	0.9
457.33081	2.6
468.22153	1.0
475.34195	66.6
489.35333	1.1
501.35577	3.1
533.38458	16.3
568.56702	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17707	3.5
53.03936	5.6
55.01870	6.1
55.05500	26.8
57.03440	13.8
57.07067	7.6
60.24422	3.5
60.92878	3.2
67.05503	70.0
69.07066	18.9
79.05058	5.3
79.05495	79.3
81.03420	9.3
81.07056	83.7
83.04975	5.6
83.08608	10.8
88.07633	4.3
90.14901	3.6
91.05476	53.5
93.07049	58.2
95.04974	11.6
95.08045	5.2
95.08608	63.7
97.02901	22.1
97.06516	13.2
97.10176	6.6
102.09155	4.2
105.07040	39.9
107.04952	10.6
107.08595	39.5
109.06498	9.0
109.10168	21.7
111.08070	8.5
117.07014	28.7
119.08587	30.4
121.06498	12.7
121.10135	20.1
122.10351	3.8
123.08052	15.9
123.11723	9.8
125.09579	7.8
129.06998	11.0
131.08571	26.0
133.06473	4.5
133.10133	24.5
135.08049	40.3
135.11673	14.6
137.09596	7.0
141.07024	4.5
143.08525	13.3
145.10118	14.3
147.11682	15.0
149.09573	6.0
149.13272	7.0
151.07524	4.8
153.09158	12.9
155.08507	4.7
157.10094	6.6
159.11699	12.0
161.13226	9.1
163.07561	37.6
169.10110	7.4
170.55548	3.8
171.11693	8.9
173.13242	11.9
175.79134	4.0
177.12857	4.9
181.08600	15.8
183.11748	6.5
185.13261	4.0
187.14703	6.1
189.12674	5.1
199.09666	7.0
199.13223	5.5
201.11180	7.3
255.12280	100.0
261.22125	4.9
273.13293	6.3
284.29425	6.9
299.20316	4.7
311.29608	5.1
315.23184	10.7
335.25745	15.6
363.25354	5.4
405.27502	9.1
423.29037	12.6
441.29831	6.6
487.33948	5.7
493.33383	3.6
497.32486	17.2
515.33630	51.5
533.34570	17.0
563.90887	4.5
568.41364	4.8
568.56836	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	568.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01865	2.6
55.05296	2.3
55.05511	22.2
57.03432	2.5
63.52399	1.5
67.05498	12.1
69.03408	3.5
69.07062	3.7
69.21630	1.7
70.06580	2.3
70.76862	2.8
70.77184	2.7
79.05498	15.1
80.05022	4.2
81.07051	16.6
82.06534	2.2
83.04966	2.4
83.08624	10.5
84.04506	2.5
85.02925	2.4
91.05480	8.8
93.07047	7.4
94.06572	7.7
95.04964	2.5
95.08607	15.8
97.10164	17.9
103.05448	2.8
105.07028	7.0
106.06545	6.3
107.07334	2.5
107.08610	9.0
108.08121	4.0
110.06049	1.9
117.06996	3.7
118.06553	3.1
119.08570	3.5
120.08078	9.8
123.08086	4.1
124.07544	2.3
125.09614	10.4
129.07036	2.6
130.06557	7.9
131.07298	3.6
132.08104	8.7
133.10127	1.8
134.06041	4.6
134.09663	5.6
135.08041	2.4
136.07590	4.7
136.62271	1.9
138.05499	1.8
138.09102	2.8
139.18771	1.7
140.07112	2.3
143.08537	2.1
144.08093	3.8
146.05983	2.5
146.09666	4.5
148.07579	6.7
150.09106	10.9
152.07063	13.5
158.09669	5.1
160.07649	4.1
164.07080	3.5
172.11220	2.3
174.05418	1.7
174.12822	2.6
176.07135	2.9
178.08670	2.6
180.06543	2.2
182.09642	2.2
184.11179	2.4
186.09225	2.2
189.11253	3.3
192.10222	2.5
194.08229	4.8
196.09663	3.2
196.11227	2.0
198.12833	4.7
202.12218	2.5
216.13928	5.0
218.11694	2.4
220.13361	3.8
230.15326	1.8
234.14966	3.4
242.15424	7.4
244.13405	6.9
244.17014	2.3
252.14072	1.9
258.14914	4.7
260.16483	11.7
262.14395	3.1
264.15912	2.3
270.14957	4.7
272.12894	3.4
274.18311	2.3
276.15955	3.1
278.17636	3.6
288.15991	7.7
290.14206	2.7
290.17590	3.8
302.17636	2.8
308.14874	3.2
318.16934	3.9
320.18661	3.9
322.16455	3.3
328.98776	2.1
336.18054	2.6
346.16595	4.2
364.10406	1.9
364.17618	18.6
366.19119	2.7
368.22263	3.7
382.18448	5.0
383.04294	1.6
384.25174	2.3
385.46545	1.7
394.23743	4.0
412.24957	12.7
430.26147	8.8
440.24396	9.3
448.27002	6.4
458.00903	1.8
458.25336	35.7
475.08957	1.7
476.26462	28.2
494.27405	10.6
504.29520	2.3
522.30176	2.5
524.20624	3.5
532.28809	8.6
550.21643	2.3
550.30139	48.1
568.20056	5.9
568.31134	100.0
569.30524	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	567.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90213	3.7
56.96560	14.8
69.03436	4.8
71.95259	5.0
73.70827	3.4
77.97515	3.4
79.11516	3.5
88.29091	4.0
94.70664	3.7
97.02905	5.6
98.97006	5.5
98.97585	39.0
116.98628	46.4
119.01948	17.9
134.99690	32.6
137.02917	7.2
152.49881	3.5
153.00699	4.7
158.24133	3.4
168.20459	3.3
177.00951	30.8
178.01057	8.9
179.00673	6.9
198.84123	4.1
217.04111	6.7
219.02019	30.2
220.02217	8.7
221.01891	7.6
243.02037	8.0
258.99902	24.2
259.99905	5.2
261.00238	7.6
261.03055	100.0
262.03259	33.2
263.02927	31.4
264.03061	6.5
274.97614	12.6
276.98138	3.6
277.00812	25.8
279.00772	4.6
283.00031	14.7
283.99786	4.5
300.98010	4.1
301.01080	22.9
302.01208	6.4
303.00864	5.4
318.98676	5.1
327.85794	3.8
397.94824	4.3
443.02692	5.7
444.02835	4.4
498.37665	5.7
502.32047	3.9
519.91284	4.9
524.95270	3.8
525.85516	4.1
537.92798	5.7
543.38837	6.1
545.96588	3.9
550.37030	5.4
550.86963	4.9
551.22882	4.4
555.37305	4.7
563.89325	8.5
566.98810	6.0
570.87744	6.1
584.99548	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	566.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58529	0.8
55.05500	1.2
56.05034	29.1
61.01151	24.2
65.03927	0.9
67.05490	1.2
69.03398	1.0
69.07074	1.1
70.02381	3.5
70.02953	9.8
70.06593	2.8
79.05479	1.5
81.03413	1.3
81.07053	2.1
83.08642	1.1
85.02901	1.2
86.09703	9.0
87.05591	87.9
88.04008	2.7
91.05486	7.2
93.07047	2.3
95.04973	1.2
98.02421	1.7
98.06055	17.9
98.21262	1.8
103.05441	6.5
104.05332	56.8
105.07032	1.7
107.08566	0.9
109.06536	1.1
109.10170	1.0
120.08102	100.0
121.06480	0.9
130.06528	12.4
132.10271	1.1
135.08006	1.2
136.06145	1.4
144.91101	1.0
146.06348	40.0
146.99626	0.9
148.07574	1.7
172.07515	4.8
173.07484	2.1
174.05841	48.7
175.08691	5.4
182.06013	1.5
184.07506	1.0
189.10219	2.7
199.08730	1.6
200.07063	5.1
215.45244	1.2
217.09755	7.8
233.06061	1.0
234.12386	25.4
245.09239	2.8
262.11923	12.5
270.09052	1.8
279.17026	12.5
286.14523	2.2
287.05536	2.6
288.06577	2.6
288.10110	61.5
304.15369	1.5
330.18094	4.7
358.17657	1.4
359.16040	1.2
376.18753	3.3
390.14694	3.2
396.18982	1.1
407.17459	7.3
435.17032	5.2
502.27771	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	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32187	2.0
53.03938	6.0
55.05513	14.9
57.03419	2.3
57.07074	4.9
67.05502	26.8
69.03423	5.3
69.07066	15.3
70.00775	9.6
79.05495	20.1
81.03420	2.5
81.07055	31.2
83.04974	3.1
83.08624	9.1
85.06525	3.5
91.04949	4.3
91.05476	36.6
93.07045	34.1
95.04960	7.4
95.08604	29.9
97.06533	5.9
98.20882	5.0
98.21475	3.6
103.05480	2.7
105.07033	61.4
107.08587	35.7
109.06499	5.6
109.10155	25.0
115.05417	3.5
117.07019	16.2
119.08582	55.8
121.10136	39.2
123.08094	9.9
123.11745	6.1
125.09634	3.7
128.06239	8.9
129.07022	10.1
130.07790	6.1
131.08559	24.9
133.06529	3.0
133.10138	33.5
135.08080	7.9
135.11665	10.9
137.09622	4.4
137.13242	2.6
139.11298	2.4
141.06999	6.1
142.07779	20.2
143.08557	28.9
144.09343	3.9
145.10121	35.8
147.08066	7.7
147.11662	11.1
149.09644	8.0
151.07594	4.4
154.07834	2.5
155.08603	9.4
156.09323	11.7
157.10130	37.2
158.10953	6.4
159.08087	4.3
159.11702	16.3
161.09624	2.5
161.13290	4.9
163.11211	7.1
165.07060	4.9
165.09084	15.6
167.08583	8.1
167.10689	6.1
168.09354	3.7
168.92813	2.6
169.10124	20.0
170.11003	5.1
171.11670	20.2
173.09622	3.6
173.13274	23.1
175.11182	4.0
175.14824	10.7
179.08611	10.8
180.09386	5.3
181.10101	12.0
181.12288	4.7
182.10951	6.2
183.11697	13.8
184.12476	3.0
185.13292	17.2
187.11163	2.9
187.14784	10.2
192.09413	2.8
193.10146	12.5
194.10916	9.2
195.11716	17.4
196.12495	4.4
197.13217	17.8
199.14853	10.3
203.14326	8.0
205.10306	4.8
205.17859	1.9
206.10979	7.8
207.11748	15.1
207.13644	3.4
208.12485	7.9
209.13258	14.5
210.14134	2.1
211.14832	9.0
213.16420	4.4
217.10136	3.3
218.10951	3.0
219.11856	5.7
220.12521	4.9
221.13293	12.1
221.15424	29.3
222.13965	3.6
223.14900	9.5
225.16373	6.3
230.10889	3.0
231.11816	5.8
232.12463	3.1
233.13260	9.6
233.15456	5.1
234.14085	2.3
235.14920	7.4
237.16405	5.0
239.18102	4.1
243.11475	2.2
245.13350	5.4
246.14146	3.7
247.14886	6.9
248.15553	5.8
249.16525	5.1
251.18021	4.7
253.19725	3.3
257.13208	4.1
258.14133	3.4
259.14835	4.7
261.16412	9.4
263.17960	5.5
265.19632	7.1
267.15686	2.1
270.13898	3.1
271.14792	2.6
273.16449	5.8
275.17892	5.3
277.19595	3.9
282.28033	7.1
287.05704	6.0
287.17694	3.4
289.19284	3.5
299.17896	3.3
299.30484	2.8
300.18857	2.3
301.19397	3.7
309.32867	2.6
310.31107	9.3
315.21136	2.8
325.19482	2.3
331.24387	6.0
357.25745	5.2
473.34082	14.8
529.39166	8.3
547.39667	16.7
565.40448	100.0
566.40338	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.05505	8.7
57.07066	6.2
59.05008	2.2
65.03938	2.3
67.05505	15.5
69.07069	12.0
69.91519	9.6
79.05491	13.7
81.07063	19.7
83.04974	3.7
83.08618	6.2
85.06544	4.0
91.05492	21.5
93.07039	29.3
95.04985	7.5
95.08606	17.9
97.06542	3.5
97.10186	2.6
98.20984	4.2
105.07035	42.9
107.08603	27.6
108.98085	1.7
109.06503	3.1
109.10167	14.4
109.19144	1.8
115.05482	3.6
117.07044	6.8
119.08578	45.9
121.06496	2.8
121.10141	32.7
121.11018	2.1
123.08121	8.3
123.11731	3.7
125.09624	2.0
128.06232	4.4
129.06984	9.3
130.07787	5.5
131.08572	20.1
133.06558	2.9
133.10129	28.5
135.08080	5.2
135.11717	8.9
137.09615	5.9
141.07074	2.5
142.07779	13.5
143.08562	21.4
144.09349	4.8
145.10155	28.8
146.10933	2.0
147.08058	7.0
147.11723	8.7
149.09663	7.2
149.13255	3.0
155.08577	8.9
156.09340	11.8
157.10141	31.6
158.10896	3.3
159.08116	4.1
159.11682	16.4
161.13272	4.5
163.11270	5.3
165.07002	4.3
165.09148	8.4
167.08611	6.9
167.10648	9.2
168.09363	5.5
169.10130	15.8
170.10982	4.8
171.11673	21.6
172.12561	2.7
173.13290	14.3
175.11189	2.9
175.14922	5.1
179.08618	8.3
180.09309	3.4
181.10175	8.0
181.12242	2.8
182.10922	4.9
183.11662	10.4
184.12576	3.8
185.13290	14.3
187.14877	7.8
189.12842	3.2
192.09427	3.8
193.10197	9.7
193.11797	1.9
194.10938	7.1
195.11697	13.4
196.12486	5.4
197.13214	13.4
199.14856	12.1
201.12616	1.9
203.14351	3.1
206.11038	3.0
207.11719	15.0
208.12495	3.5
209.13284	15.1
211.14824	9.6
213.16415	3.9
215.14323	7.1
217.10228	2.8
217.15984	2.9
218.10922	2.7
219.11760	5.6
220.12463	3.2
221.13303	7.7
221.15414	16.8
222.14023	3.8
223.14812	10.2
225.16499	3.3
229.10052	2.0
229.15913	2.5
231.11713	4.4
232.12445	2.4
233.13300	5.8
233.15431	4.6
234.14073	3.7
235.14847	8.2
237.16426	5.5
239.17993	4.5
247.14897	5.6
248.15576	2.6
249.16469	5.4
251.18016	7.0
253.19493	3.4
256.27927	2.0
258.14209	2.1
259.14978	5.0
260.15659	3.3
261.16476	4.9
263.18021	4.5
265.19556	5.7
275.17944	5.0
277.19659	5.2
279.21054	3.0
283.20483	3.4
287.05649	5.7
287.18030	2.7
289.19275	2.5
296.15076	2.1
299.17941	2.8
301.19522	3.8
307.20447	2.2
309.16815	2.2
315.21179	2.4
319.24417	2.3
339.21301	2.4
341.23010	2.4
343.24222	5.6
347.23935	2.6
357.25732	2.9
393.30524	2.2
473.34216	4.3
509.33997	2.2
547.39368	16.7
565.40399	100.0
566.40753	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93224	1.3
53.03941	5.2
55.05515	9.0
57.07071	5.1
59.04993	1.6
65.03925	1.8
67.05498	15.2
69.03442	6.5
69.07061	11.5
70.13847	3.7
71.04996	1.9
71.95701	1.4
78.08472	1.4
79.05488	22.7
79.47594	1.2
81.03432	1.4
81.07056	23.1
83.04971	5.0
83.08613	6.4
85.06549	2.1
85.64346	1.6
91.05479	29.4
93.07045	37.3
95.04968	11.2
95.08603	21.0
97.06506	2.3
102.98199	1.3
103.05459	3.1
105.04527	1.8
105.07031	57.3
107.08590	31.1
109.06520	4.8
109.10165	18.7
111.11777	1.5
115.05444	4.7
117.07026	11.6
118.67200	1.4
119.04898	1.4
119.06014	1.2
119.08580	55.2
121.06500	4.5
121.09305	2.8
121.10146	44.1
123.08027	9.2
123.11668	7.2
125.05941	1.9
125.09644	1.4
128.06232	6.1
129.07008	13.1
130.07787	3.8
131.08562	20.6
133.10126	38.1
135.08070	6.2
135.11697	12.8
137.09642	4.9
141.07010	4.9
142.07788	15.2
143.08554	31.1
144.09366	5.4
145.10121	33.8
147.08049	5.8
147.11684	13.1
149.09589	6.9
149.13376	2.1
151.07556	3.6
153.07028	2.0
154.07762	3.1
155.08578	13.7
156.09351	14.4
157.08943	1.4
157.10132	34.4
158.10919	5.1
159.08070	3.2
159.11703	19.7
161.09636	4.3
161.13278	5.1
163.11192	4.5
165.07027	5.9
165.09096	10.1
166.07788	3.2
167.08595	9.5
167.10669	19.3
168.09389	5.2
169.10126	21.7
170.10948	5.5
171.11694	21.2
172.12413	1.7
173.09619	3.3
173.13255	18.5
175.11195	3.2
175.14836	5.2
178.07735	2.5
179.08508	9.3
180.09360	4.8
181.10098	12.0
181.12259	3.3
182.10939	6.1
183.11684	16.7
184.12521	2.2
185.09634	2.3
185.13275	11.4
187.11212	1.6
187.14780	6.5
189.12744	3.6
191.14375	2.2
192.09320	3.4
193.10110	12.4
194.10928	8.5
195.11705	16.2
196.12462	5.4
197.09714	1.8
197.13251	13.9
199.14804	15.0
201.16440	2.9
203.14302	6.3
205.10129	4.3
206.10922	8.0
207.11713	14.5
207.13628	1.9
208.12486	4.8
209.13248	17.1
210.13995	3.2
211.14777	8.9
213.16347	3.9
215.14340	3.5
217.10194	3.2
218.10864	2.9
219.11723	5.2
220.12502	3.5
221.13266	13.4
221.15408	18.2
222.14008	2.6
223.14839	11.9
224.15665	1.6
225.16441	4.5
231.11786	7.7
232.12498	3.8
233.13382	9.0
233.15048	8.6
234.14050	3.3
235.14864	7.3
235.17059	1.9
236.15697	2.2
237.16376	6.8
239.17908	3.0
243.11665	2.8
244.12445	2.7
245.13277	6.3
246.14091	5.1
247.14867	8.5
247.17052	2.3
248.15736	2.7
249.16382	7.1
251.14110	1.5
251.17941	7.0
253.19582	3.8
257.13223	3.8
257.19296	1.5
258.13950	1.7
259.14624	6.3
260.15704	3.6
261.16360	9.0
263.17920	6.3
265.19623	5.6
270.14069	1.9
271.14783	3.1
273.16272	4.3
275.17978	5.8
277.19586	4.7
283.14816	1.9
284.15759	1.6
285.16254	2.4
287.05542	4.5
287.17947	3.7
289.19510	3.3
295.20499	1.9
297.16489	2.8
299.17801	3.0
301.19360	1.7
303.21121	1.7
307.20679	2.3
313.19348	1.6
331.20657	1.8
331.24332	4.5
343.24240	3.4
357.25745	3.8
383.27621	1.9
397.25101	1.8
399.26987	1.9
473.34390	9.5
485.34268	2.7
509.34024	1.6
547.39258	11.4
565.40399	100.0
566.40906	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	565.1553
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.05505	0.3
56.05049	0.2
57.03426	0.6
61.02910	0.8
65.96340	0.2
69.03416	0.5
70.06586	1.8
71.01368	0.3
71.04982	0.6
71.06929	0.2
71.58651	0.3
72.08148	0.7
73.02918	7.0
84.04466	0.5
84.08116	0.8
85.02911	1.2
86.09717	1.1
97.02906	0.3
97.95355	0.2
107.04968	0.3
110.07159	0.4
111.00777	0.4
115.03934	0.9
120.08053	0.4
121.02866	1.8
129.10223	0.4
133.02786	0.3
136.07549	0.3
137.02277	0.3
137.05978	0.2
141.03850	0.2
147.04391	0.5
153.01836	2.3
165.01778	1.1
183.02924	0.7
185.05881	0.2
213.05452	1.1
231.06340	0.4
241.04881	0.6
255.06465	0.9
258.05249	0.6
259.05905	0.3
286.04608	0.3
287.05490	100.0
288.05911	1.1
299.52753	0.2
403.08899	0.3
419.09891	0.3
433.11298	5.9
561.63751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23699	0.6
55.51793	0.5
67.05511	1.1
69.07050	0.8
70.27465	1.4
70.27827	1.2
71.65283	0.6
73.02905	1.2
75.79727	0.6
95.71558	0.6
98.21288	1.3
117.06902	0.6
130.06535	0.8
131.08548	0.5
145.34061	0.6
149.02373	3.2
171.00502	0.7
245.07880	2.1
275.11142	1.5
287.05466	13.1
294.53412	0.6
299.12570	1.0
317.13623	15.5
345.13101	3.5
348.61630	0.6
359.14578	0.9
433.11533	1.0
445.49686	0.7
454.54031	0.8
461.17935	1.6
479.18860	17.5
521.19952	66.5
522.20483	1.7
565.18890	100.0
566.19519	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	565.1188
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.48360	0.2
53.03942	1.9
53.52403	0.2
55.01869	1.0
57.03421	0.8
61.02922	0.9
66.33588	0.2
68.99773	0.6
69.03072	0.3
69.03427	4.9
70.35260	0.2
70.35597	0.6
71.01330	0.2
71.04979	0.6
73.02922	1.4
81.03413	6.9
85.02901	7.9
87.00826	3.6
87.04427	0.2
91.03943	0.4
93.03407	0.2
95.04946	0.6
97.02900	2.8
97.99864	0.2
98.20712	0.2
99.04455	2.1
105.01871	2.2
109.02879	4.8
117.01887	1.1
118.60696	0.2
121.02869	1.2
123.04462	1.2
125.02332	0.6
127.03916	6.7
129.01846	0.5
134.34238	0.2
135.04362	0.3
137.02342	2.3
139.03862	0.2
141.05423	0.3
145.02895	0.2
145.04950	1.7
147.02876	0.2
149.02338	0.4
151.03908	0.9
159.02892	2.7
163.03905	0.8
167.03391	3.1
179.03410	1.3
179.17448	0.2
180.04150	0.2
187.07692	0.2
191.80904	0.2
197.04407	0.7
200.04639	0.4
215.07088	1.3
215.54927	0.2
219.03036	0.2
228.04138	0.3
231.05084	0.7
243.06535	3.3
256.03629	0.3
257.04379	0.3
261.07599	0.6
271.05878	1.7
273.03909	0.4
274.04721	3.1
287.05493	5.0
287.08414	0.3
288.06271	0.8
299.05423	1.0
302.04175	2.4
317.06549	100.0
318.06882	1.2
449.07138	0.3
478.02090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.155
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
50.32354	0.3
52.67283	0.3
57.03437	0.3
61.02912	0.9
69.26971	0.3
69.27528	2.8
69.27872	0.5
71.01331	0.3
71.05008	0.4
71.84190	0.3
73.02554	0.5
73.02924	7.1
75.17543	0.3
85.02895	0.6
98.20779	0.5
111.00843	0.5
115.03915	0.7
121.02834	1.5
133.02893	0.3
135.04420	0.3
137.02448	0.3
147.04384	0.3
153.01836	1.9
165.01866	1.1
183.02930	0.8
213.05507	1.0
231.06526	0.4
241.04991	0.4
258.05237	0.6
287.05515	100.0
288.05859	1.2
398.29282	0.3
421.31546	0.3
433.11288	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	564.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.4
56.29028	6.0
57.03442	13.2
57.07095	5.4
67.05510	79.3
69.07072	23.3
69.68016	13.0
69.68417	28.7
72.26619	5.5
77.99677	6.0
79.05498	49.8
81.07063	100.0
81.83312	6.9
83.08626	19.1
85.06557	8.0
91.05473	31.6
93.07055	68.6
95.04928	6.7
95.08606	44.0
97.28616	6.5
98.20792	14.8
98.21439	12.5
105.07030	16.1
107.08594	28.4
109.10160	19.8
117.07011	12.6
119.08601	18.0
121.06500	8.2
121.10135	27.2
131.08586	16.9
133.06496	6.8
133.10114	11.2
135.11685	13.3
136.65944	6.3
145.10115	6.9
149.13258	25.6
159.11752	7.8
175.11223	21.7
177.12758	61.9
195.13824	11.1
195.95404	5.7
207.13823	9.4
219.13831	47.4
241.12222	8.2
261.22269	8.9
269.17499	77.4
271.13205	8.8
305.89984	6.2
327.19592	16.8
335.25751	48.4
529.38892	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.9
55.01863	6.5
55.05524	27.6
57.03424	11.6
57.03682	3.7
65.03928	6.1
67.05172	6.6
67.05508	96.7
69.03438	48.4
69.07066	26.8
69.25860	35.7
71.01369	3.5
71.04987	10.5
72.58949	3.4
73.02930	5.1
77.03896	3.6
79.05495	77.4
80.38056	3.1
81.03422	67.0
81.07060	100.0
82.07397	4.4
83.04979	13.9
83.08620	11.5
85.02910	34.2
91.05484	56.7
93.07050	98.7
95.04978	21.8
95.08050	5.8
95.08615	76.6
97.02893	30.6
97.06539	8.6
97.10177	6.3
99.04460	9.8
99.08086	3.7
103.05452	5.6
105.07033	79.1
107.04955	6.9
107.08604	46.4
108.04464	4.2
109.02900	17.6
109.06540	9.2
109.10160	35.2
111.04428	9.9
111.08076	6.7
111.10917	3.3
117.07011	26.3
119.08592	41.6
121.10156	51.1
123.08033	7.0
123.11687	12.7
127.03915	17.3
128.06210	3.8
129.05486	7.4
129.06993	14.3
131.08588	37.6
133.06485	8.7
133.10118	29.9
135.08032	7.7
135.11711	24.2
137.05893	4.0
137.09627	4.0
137.13199	4.6
139.11211	4.0
141.06926	5.9
143.08562	11.4
145.06602	5.1
145.10147	25.4
147.08092	9.0
147.11717	24.0
149.09604	7.9
149.13266	14.7
155.08566	9.4
157.10107	12.4
159.08061	4.1
159.11699	31.8
161.09604	3.3
161.13303	16.6
163.11029	5.1
163.14836	8.5
169.10107	9.9
171.08138	4.0
171.11650	10.1
173.09587	6.2
173.13327	17.6
175.14842	8.3
177.12729	4.1
183.11674	5.5
185.09544	6.8
185.13284	10.0
187.11136	3.4
187.14891	7.2
197.13380	4.6
199.14847	5.9
201.12758	5.3
209.13248	4.1
211.14847	5.4
213.16371	3.4
225.12788	3.3
227.17961	3.8
235.13266	6.8
259.20432	5.9
261.22055	20.0
271.17117	4.5
273.18674	3.6
273.22067	4.7
275.23572	3.9
277.21643	6.6
284.60168	3.5
285.22238	5.1
289.21622	9.9
291.23218	6.2
301.21585	4.4
303.23041	17.1
313.21881	4.2
315.23331	7.7
319.22647	5.5
323.23581	4.7
327.23221	6.0
333.21857	3.8
341.24738	9.4
345.24164	5.2
351.23239	12.9
369.24292	37.4
387.25339	35.0
405.26306	19.6
423.27374	9.8
538.12823	3.4
544.37061	4.7
562.41052	4.2
566.53979	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	562.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21424	2.7
55.05495	3.7
57.27702	2.9
60.07104	2.2
67.05492	10.9
67.31474	2.4
70.06579	9.9
70.14014	2.4
71.33614	5.5
77.70290	2.5
79.05496	8.1
81.07050	9.6
83.08607	2.5
89.03908	8.6
91.05463	7.3
91.06857	2.4
93.07046	8.2
95.08590	7.2
97.06532	3.1
100.49039	2.2
105.33198	2.5
107.08585	4.7
116.07095	14.6
117.03374	23.3
119.08591	5.6
145.02849	53.4
149.05965	8.2
177.05478	100.0
186.05499	2.9
267.16034	3.3
273.29471	2.3
284.15891	2.9
376.34509	2.6
527.30115	5.4
548.12946	3.2
562.39301	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	562.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40786	1.7
53.70609	1.6
65.03946	1.9
67.05488	5.4
71.57999	2.5
79.05488	5.9
81.07039	6.0
89.03917	7.8
91.05500	2.2
93.07028	7.2
95.08582	5.0
98.21120	2.4
103.34753	2.0
104.55213	1.8
105.07017	3.2
107.08585	1.9
117.03381	20.0
135.11667	4.0
145.02855	47.6
145.10112	2.0
149.05986	5.4
157.19583	2.3
177.05481	100.0
186.05495	2.2
227.12741	2.0
230.93019	2.0
336.26334	2.1
467.36948	1.8
475.20892	2.2
497.45441	1.9
527.30182	3.6
544.37372	3.2
562.24084	5.7
570.70831	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04786	0.8
56.05036	10.3
57.03411	1.6
58.06599	6.9
60.83637	0.8
68.05007	0.9
68.84113	0.8
70.02965	1.5
70.06601	3.8
70.18410	2.9
72.08160	3.8
74.06078	52.5
76.40156	0.7
83.06063	1.0
84.04510	6.6
84.08132	2.3
85.03542	1.3
85.04029	18.9
86.06020	2.0
86.09695	4.6
88.03997	8.3
91.04960	1.2
91.05477	13.3
96.04480	0.9
98.02407	3.0
98.21487	1.3
101.07111	1.4
102.05544	1.1
107.04955	12.1
113.07147	2.1
119.04951	14.5
123.04433	6.0
129.10233	1.1
130.04984	1.9
131.04878	1.0
134.05994	1.0
135.04379	0.8
135.06801	10.3
136.07573	100.0
145.06480	1.4
146.06010	29.2
147.04408	4.5
148.07555	0.7
152.05714	1.0
160.07573	10.0
162.05521	1.5
162.09175	1.6
163.03862	1.6
163.08691	1.4
165.05487	15.6
168.07764	0.9
174.09138	2.7
182.08118	27.2
188.07085	10.2
191.08199	6.5
192.06563	1.2
192.10185	2.7
197.29277	0.9
197.44783	0.8
202.08632	7.8
206.08131	11.9
208.09702	1.2
210.64844	0.8
216.06567	1.3
219.11282	1.9
229.15508	0.9
233.09218	5.4
234.07553	2.7
237.12283	5.1
247.10744	2.6
251.10260	67.8
265.11810	23.9
273.03967	1.0
279.09747	35.7
283.12881	54.4
284.13010	1.0
293.11270	2.2
316.12943	2.3
318.14087	0.9
332.12405	1.8
334.13937	8.2
352.14917	1.8
362.13461	4.8
380.14606	13.8
385.60568	1.0
399.10522	1.8
399.21030	1.4
408.13989	2.8
428.18140	2.9
525.19458	1.7
543.21075	9.9
561.19232	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.2
53.03943	0.2
55.01874	0.4
55.05305	0.2
55.05517	2.1
57.03435	0.4
57.07072	2.0
61.02887	0.3
61.21522	0.2
65.03938	0.8
69.00292	0.2
69.03423	0.7
69.27032	1.8
73.02898	0.2
73.06543	0.6
73.94088	0.2
81.03402	0.7
82.04758	0.2
85.02906	1.9
87.00821	0.8
93.03423	0.3
95.39227	0.2
97.02888	0.5
98.21091	1.0
99.04461	0.4
105.01878	0.5
109.02869	0.5
112.48859	0.2
121.02866	2.3
121.03938	0.4
127.03122	0.2
127.03909	1.3
145.04935	0.3
149.02345	100.0
150.02707	0.7
159.02928	0.2
167.03412	1.4
190.05031	0.4
203.07089	0.2
205.08604	20.9
206.08891	0.2
221.08067	0.8
277.14368	10.2
295.15387	0.7
313.23535	0.2
536.47815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07066	0.4
70.06580	1.3
71.58582	0.4
72.08148	0.5
77.48607	0.3
84.08138	0.9
85.02908	0.5
86.09697	1.2
102.04631	0.3
103.05476	1.0
119.08528	0.4
122.07098	0.4
122.20839	0.3
129.10229	0.4
130.06526	100.0
131.06850	0.7
142.81015	0.3
151.03812	0.3
152.47899	0.3
156.64964	0.3
182.06030	0.5
278.49194	0.3
344.84265	0.3
361.02515	0.5
399.10657	1.0
561.28784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
70.06593	1.2
70.12009	0.2
71.58499	0.2
72.08151	0.3
74.94118	0.2
76.02248	0.1
77.03922	0.2
79.03371	0.2
79.81485	0.2
84.04490	0.3
84.08131	0.4
86.09695	0.5
95.04927	0.2
96.88403	0.2
103.05453	1.0
110.07122	0.2
120.08123	0.2
122.07169	0.1
129.10281	0.2
130.06522	100.0
131.06845	0.7
151.03986	0.4
154.06497	0.4
163.04065	0.2
182.05905	0.4
187.26878	0.2
189.29726	0.2
251.11841	0.2
278.11780	0.2
322.49731	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	2.4
70.56279	2.8
81.03416	2.3
91.05504	1.7
98.21268	2.0
118.06546	14.4
132.08092	5.2
143.07317	2.5
144.08083	12.5
146.06018	57.2
159.09227	5.8
170.05986	3.3
172.07227	1.4
175.04318	2.9
176.23746	1.4
186.00241	1.3
188.07079	100.0
189.07423	1.9
205.09731	34.3
216.89748	1.4
216.97884	1.6
233.80573	1.5
258.22467	1.3
273.29343	1.2
355.11279	1.5
588.89703	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.6
55.01873	12.8
55.05510	24.7
57.03428	7.4
57.07063	10.9
67.05504	45.1
69.03436	36.2
69.07069	57.6
70.06588	9.3
71.04980	15.0
71.57829	9.0
73.02905	5.1
79.05498	27.6
81.03431	37.0
81.06584	5.7
81.07058	98.3
83.04987	7.8
83.08630	27.8
84.04511	7.2
85.02906	55.1
85.06535	21.6
87.00846	26.2
88.93745	5.3
91.05471	18.8
93.07021	24.6
95.04983	6.8
95.08045	7.9
95.08608	100.0
96.08873	4.4
97.02866	19.7
97.06532	5.8
97.10157	17.5
99.04445	11.7
99.08080	14.3
105.01860	19.0
105.07023	15.9
107.08588	18.8
109.02873	23.9
109.06496	6.9
109.10156	59.8
110.32475	6.0
111.11736	13.2
117.07084	6.4
119.08572	17.5
121.06512	5.7
121.10143	21.8
123.08041	4.9
123.11716	26.5
125.09616	8.0
127.03927	45.1
129.06947	4.9
130.06531	10.8
131.08575	5.8
133.10106	17.4
135.11700	12.6
137.05965	5.7
137.09605	7.8
137.13266	17.6
143.08556	7.5
145.04915	9.3
145.10213	8.0
147.11703	12.9
149.13242	18.1
151.14859	13.2
152.02858	6.2
159.11760	5.9
161.09554	8.1
163.14816	9.5
165.16441	8.1
184.04181	6.4
198.42155	4.9
211.14716	5.3
231.05045	14.3
275.27426	7.8
281.28525	8.6
293.20895	8.7
293.28336	15.6
294.21570	8.6
311.29370	28.1
401.30338	9.1
533.02625	5.6
559.28729	9.9
588.91925	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	558.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	1.0
60.04530	2.6
69.04545	0.9
70.01476	1.0
70.02954	0.3
70.06586	2.3
71.06923	0.2
72.08144	0.5
74.06080	2.2
82.06532	0.3
84.04510	0.7
84.08123	0.8
85.02909	0.2
86.09731	1.2
91.05508	0.7
93.07045	1.2
98.21406	0.4
98.73621	0.2
99.05595	1.3
102.05565	1.1
103.05463	3.7
116.07113	0.4
117.05862	0.3
117.06566	1.3
119.83646	0.2
120.06625	4.8
120.08106	100.0
121.08452	0.7
125.07131	0.4
130.05013	0.7
132.08070	0.4
135.19702	0.2
145.06082	2.6
160.06122	0.4
162.09161	0.6
171.07652	4.9
177.05464	0.3
177.10263	0.8
189.08701	2.1
199.07082	0.4
205.09723	1.7
207.09801	1.2
211.06989	0.3
212.25133	0.2
213.12485	0.2
217.08047	0.3
220.53282	0.2
222.12587	0.3
228.09805	6.1
228.13441	0.3
231.13437	0.6
232.13861	0.5
246.10847	4.1
264.11938	0.9
267.14926	17.1
268.15308	0.4
274.11938	0.6
292.12961	1.2
295.14426	9.0
309.15924	0.3
328.20596	0.3
332.45493	0.2
337.15225	0.2
352.16528	4.9
375.16907	0.5
393.17841	0.9
394.17657	0.9
411.19827	1.8
416.00064	0.2
421.18353	2.0
439.19778	1.9
475.25916	0.3
522.23547	1.5
540.24811	1.2
558.25494	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.05509	19.2
57.03443	8.2
57.07061	6.9
59.58274	2.9
64.10172	2.5
65.03934	4.9
67.05161	4.8
67.05505	52.4
69.07067	17.2
69.39667	2.2
69.39990	22.6
71.08662	2.1
77.09497	2.9
79.05502	34.4
81.07059	48.4
83.05045	2.7
83.08621	9.5
85.06529	4.6
89.06030	5.0
91.05483	27.1
92.36928	2.5
93.07051	45.7
95.04984	8.9
95.08613	44.2
96.37965	2.3
97.06552	5.9
97.10188	4.1
98.20737	3.8
98.21410	7.5
105.07032	29.1
107.08604	24.5
109.10162	22.9
110.84413	2.3
117.07033	11.1
119.08589	25.4
121.10156	20.1
123.11736	10.4
126.02790	3.1
129.07039	6.2
131.08580	20.4
131.77974	2.6
133.08607	3.7
133.10121	29.1
135.08124	2.7
135.11697	16.9
137.13277	4.3
141.06990	3.0
143.08575	9.0
145.10103	17.1
147.11690	15.7
149.13277	10.7
155.08530	3.6
157.10063	5.5
159.11664	15.8
161.13303	7.6
163.11208	2.6
169.10106	4.5
171.11728	11.1
173.13315	10.6
175.14876	8.1
183.11754	4.3
185.13293	8.4
187.14850	7.1
189.16425	2.8
197.13359	5.1
199.14807	6.0
201.16385	4.9
203.17970	3.8
205.19577	2.9
213.16396	8.2
215.17979	7.5
227.17957	4.7
231.17505	7.6
233.19112	9.0
236.94757	2.6
278.97470	3.1
293.29477	2.9
305.21170	4.3
307.22821	11.1
309.24265	6.6
355.78262	3.3
465.37167	5.8
531.03027	3.3
539.40991	9.0
557.42029	100.0
557.52289	5.2
557.53876	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	557.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
60.05645	4.5
61.02913	1.6
62.03350	0.6
68.99764	0.6
69.03426	1.9
69.07070	8.6
70.02952	1.1
70.06592	33.4
71.04993	2.1
71.58177	0.7
71.58530	0.8
72.08149	2.6
73.02920	1.5
81.03422	2.6
84.04488	1.0
84.08129	2.1
85.02909	6.1
86.03226	0.7
86.09704	93.2
86.93031	0.6
87.00805	1.4
87.05609	3.1
88.03997	5.4
91.03941	1.6
95.06085	1.2
97.02909	2.8
98.03496	0.6
99.04465	1.0
99.90964	0.6
106.73490	0.7
109.02850	1.4
112.08729	5.1
113.07151	1.2
115.08685	2.7
116.07079	5.2
119.06852	1.2
127.03915	3.3
128.04236	0.6
128.10719	12.0
129.10251	1.1
130.09763	1.7
131.04970	0.7
137.06009	0.7
140.04562	0.9
143.08154	0.8
145.04987	1.1
150.05550	0.9
152.03772	1.4
156.10191	1.5
156.11365	0.6
157.07230	2.1
157.10913	0.7
158.09235	4.8
159.02986	1.2
162.03722	23.7
163.04079	13.5
163.07518	0.7
164.03355	1.6
166.07259	1.2
169.13380	1.8
175.11911	10.4
183.11336	1.3
195.07706	1.9
196.07385	3.2
197.12871	0.9
212.10378	1.7
213.08630	1.3
223.33145	0.6
228.13531	1.6
238.08287	2.6
241.08705	0.6
251.17613	0.7
254.12569	1.0
255.10808	3.3
269.18588	0.7
272.13535	5.3
277.11414	1.0
289.16321	0.8
303.04980	3.7
328.22272	1.1
333.49652	0.6
368.19080	1.1
377.01776	5.2
385.22119	2.9
395.02902	1.6
400.04001	0.7
403.04938	3.2
410.08643	1.1
411.09399	1.8
539.33069	0.8
540.31812	1.9
557.34033	100.0
558.34412	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39145	3.5
53.03934	10.1
55.05510	28.5
57.03450	5.0
57.07070	5.5
59.05002	5.7
63.66586	3.7
67.05500	28.4
69.03432	35.0
69.06721	5.9
69.07074	100.0
70.06575	4.8
71.04997	7.4
71.08579	4.2
72.08154	3.7
79.05505	19.0
81.03423	28.7
81.07054	68.8
83.04992	4.9
83.08630	22.8
84.04508	5.9
84.08164	4.7
85.02404	5.7
85.02902	44.7
85.06527	11.5
87.00824	14.3
91.05488	15.5
91.37366	3.8
93.07035	30.7
95.04983	5.4
95.07991	3.3
95.08604	71.5
95.09221	5.2
97.02886	16.2
97.06531	10.4
97.10155	8.2
99.04479	9.4
99.08100	15.7
105.01888	8.9
105.07021	19.0
107.05002	4.8
107.08608	29.2
109.02875	25.8
109.06543	4.4
109.10156	32.0
111.08105	5.8
111.11726	28.6
119.08596	19.3
121.06514	5.2
121.10164	25.6
123.08069	5.4
123.11704	19.8
127.03918	35.1
129.01848	5.2
130.06558	3.7
131.08585	6.4
133.10144	10.9
135.04376	3.7
135.11708	12.3
137.13260	30.1
139.11185	25.7
145.10156	9.0
147.11705	9.7
149.09630	4.3
149.13261	15.5
151.14827	5.1
157.10147	4.3
161.13286	8.2
163.14795	8.0
191.10822	3.9
213.03935	4.8
213.18478	5.0
217.19522	4.3
227.20016	7.2
231.04973	7.1
291.26852	19.1
297.27948	13.2
309.27921	47.3
399.28961	9.1
417.30057	8.3
427.80008	4.0
503.30295	4.4
557.25366	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	556.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04283	1.4
53.03938	1.8
53.76997	1.3
55.01854	1.8
55.05509	10.5
57.03428	7.7
57.07076	39.1
58.06590	1.3
58.52034	1.2
62.44288	1.1
67.05499	18.2
69.07072	11.6
69.39332	12.2
69.83472	1.3
70.06586	14.1
71.05006	3.3
71.08634	22.3
72.08135	1.5
73.02911	3.2
74.79446	1.3
79.05495	19.7
81.07059	23.0
83.04981	3.3
83.08619	14.1
84.74454	1.2
85.10181	14.1
86.09716	2.1
88.07623	5.6
88.44719	1.3
89.06058	7.4
91.05486	4.9
93.07044	23.7
93.07620	1.8
95.04986	4.2
95.08609	41.9
97.02888	2.3
97.06537	2.9
97.10192	4.9
99.04469	3.3
102.09187	4.4
103.07608	1.7
105.07026	4.4
107.04954	5.7
107.08593	18.5
109.10174	7.6
117.07006	6.5
119.08596	6.8
121.06504	4.6
121.10119	9.2
123.11669	2.4
125.05990	2.4
130.07751	1.8
132.10210	4.8
133.08621	2.8
133.10146	2.2
135.11699	37.5
145.10123	19.9
146.11765	5.5
163.11180	39.6
181.12242	7.8
212.23744	1.9
227.12781	71.5
239.23720	3.9
256.26349	13.0
272.25864	2.7
283.15402	55.1
283.26306	38.5
283.29401	2.7
300.29022	23.8
311.29492	4.0
313.27356	89.5
371.22839	1.9
521.38379	60.9
522.38660	2.7
556.52985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00546	1.0
55.05507	4.7
55.88535	1.0
57.07077	57.4
59.04964	1.3
67.05482	3.8
69.07063	8.5
70.04794	5.0
70.06597	1.9
71.08634	42.6
72.07803	1.6
72.08161	20.8
73.06544	4.8
73.08485	2.2
76.08627	1.2
79.05490	3.5
81.07041	3.8
83.08598	4.7
85.10181	29.9
87.04474	5.1
89.06034	100.0
89.74376	1.2
91.05462	2.0
93.07043	1.7
95.08616	2.3
97.06431	1.4
97.10154	6.3
99.11732	9.3
107.07054	2.7
109.10101	1.8
111.11705	6.7
113.13280	4.4
117.09154	6.1
129.10237	3.3
130.06529	1.5
130.08627	3.1
133.08607	65.5
157.10039	1.2
169.19499	3.9
177.11229	27.0
177.12692	2.4
204.10213	1.2
213.22157	2.4
221.13797	6.2
239.14839	3.5
257.24789	7.3
283.17514	3.1
283.26392	2.4
288.14056	1.2
301.27448	5.3
307.22751	1.7
313.27231	2.7
327.20065	2.4
371.22681	9.4
376.46414	1.4
396.31781	1.4
539.41528	13.3
556.44238	3.4
556.52588	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	556.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01854	1.3
57.03412	1.0
61.02899	0.9
68.99763	0.4
69.03129	0.3
69.03431	3.9
70.06573	1.5
71.04991	0.6
71.58057	0.4
72.08141	0.7
73.02895	0.9
78.07799	0.3
81.03421	5.0
82.48900	0.3
84.04461	0.3
84.08135	1.0
85.02905	10.6
86.09685	1.0
87.00836	4.1
91.03932	0.6
91.05490	0.4
97.02902	4.7
99.04453	2.5
101.01731	0.7
103.05440	0.5
105.01863	3.2
105.07009	0.4
109.02879	5.8
110.07188	0.4
117.01841	0.8
117.05738	0.9
118.06548	4.4
120.36115	0.3
127.03921	8.1
128.04953	1.1
129.01839	0.7
129.10245	0.5
131.04901	1.1
132.08070	0.9
136.06181	2.9
137.05937	0.6
145.04947	4.9
146.06024	2.6
147.02200	0.4
159.02901	4.1
161.05984	1.1
162.03731	100.0
163.04053	1.1
163.07570	0.5
176.10663	1.7
177.11525	0.7
190.08647	2.7
213.03922	0.5
231.05049	1.6
231.88474	0.3
320.18604	3.9
394.21204	1.6
410.09064	9.2
464.21494	0.4
520.27997	0.4
556.18750	0.6
556.27545	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01869	4.7
59.55809	1.8
63.70159	1.6
65.03909	2.4
70.06586	4.5
79.05485	3.6
84.08149	2.0
85.02899	6.3
91.05479	37.4
95.04964	2.5
97.02886	1.9
103.05464	42.6
105.03379	6.8
105.07024	21.7
107.04935	3.0
109.06520	6.9
115.05482	4.2
118.29529	2.0
119.04948	47.8
121.06503	6.0
122.03633	3.5
123.08066	3.8
131.04930	100.0
133.02838	8.4
133.05560	2.4
133.06494	20.6
136.05203	2.3
136.06172	4.0
137.05986	76.2
138.56268	1.7
143.05989	2.4
145.06482	1.7
147.04407	18.4
147.08058	2.4
149.05983	6.0
151.07541	22.9
159.08017	3.6
160.05124	2.0
161.05981	81.8
162.03761	3.1
162.06723	6.9
163.07541	54.8
165.05479	3.2
175.07549	16.9
177.09061	2.0
179.07053	24.7
181.64975	1.7
185.96416	1.6
187.07527	10.7
191.08566	2.4
193.08539	5.0
205.08601	9.2
217.08675	2.8
219.07968	1.7
219.58841	1.7
227.24161	2.1
235.09628	3.1
247.07521	2.3
251.10760	2.6
279.10202	3.6
291.10196	2.7
309.11209	10.2
311.12738	13.8
311.20624	2.0
323.12665	3.8
329.13824	5.3
341.13773	6.9
394.20456	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3293
Annotation	6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone
Peak:m/z	Relative Intensity
50.96295	0.5
53.03940	0.6
55.05504	2.6
57.03435	1.3
57.07093	0.7
67.05503	5.8
69.07051	1.7
69.76317	1.1
69.76727	2.5
71.37035	0.6
77.73826	0.6
79.05490	4.9
81.07049	5.8
82.20630	0.5
83.08607	0.9
85.06550	0.6
91.05486	2.8
93.07049	5.6
95.04994	0.7
95.08605	3.4
98.20816	0.7
98.21364	1.2
105.07043	1.9
107.08589	2.2
109.10173	1.3
114.36598	0.5
119.08578	1.8
121.10155	2.4
131.08548	1.1
133.10155	1.3
135.11670	0.8
145.10129	1.1
147.11731	0.8
163.11263	0.9
173.13333	0.8
219.36023	0.5
249.10988	30.8
305.13525	4.6
307.22794	1.9
555.32941	100.0
556.33038	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	555.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.6
55.01863	7.2
55.05258	4.5
55.05512	55.6
56.05078	3.4
57.03432	3.4
57.07065	9.4
59.56936	3.3
65.03957	3.7
67.05508	37.4
69.03433	17.4
69.07071	46.2
70.06575	10.1
70.94330	7.5
70.94658	3.4
73.02927	4.4
75.80335	3.9
76.02254	3.4
79.05492	25.8
81.03434	17.6
81.07059	100.0
83.04986	64.6
83.08604	14.5
83.29191	3.3
84.04491	9.7
85.02903	26.8
85.06542	4.8
86.09704	4.6
87.00837	10.5
91.05470	20.9
93.07051	49.6
95.04992	8.6
95.08609	81.1
97.02888	10.3
97.06516	12.9
97.10154	4.8
98.21049	5.1
99.04453	4.8
105.01861	10.2
105.07037	29.6
107.08590	55.7
109.02879	12.9
109.06544	9.8
109.10157	50.3
111.08080	21.2
117.07035	3.8
119.08587	36.5
120.08086	4.7
121.06499	6.3
121.10148	38.5
123.04440	4.1
123.08061	6.4
123.11713	31.7
127.03915	17.5
130.05026	6.0
130.06561	9.0
131.08565	11.4
133.10112	23.4
135.08093	3.7
135.11703	58.2
137.09608	8.4
137.13245	26.4
139.11183	13.0
143.08542	4.6
145.04892	5.2
145.10162	19.0
147.11711	16.9
149.13231	17.5
153.12688	8.8
157.10181	6.2
159.08130	3.1
159.11699	22.9
161.13281	14.2
162.06975	3.4
163.14821	7.9
165.12785	4.5
171.11879	4.2
173.09650	4.4
173.13286	10.6
175.14870	8.7
179.18008	4.8
187.14767	6.7
189.16397	20.0
191.17986	64.5
201.16466	4.5
203.18190	3.9
209.39998	4.7
213.66962	3.8
215.17940	14.5
231.04816	4.2
233.18915	4.8
253.13805	4.2
262.00269	3.5
271.24222	16.0
289.18063	3.6
289.25311	18.3
307.26312	8.0
434.47272	3.6
555.25806	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	554.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56802	4.4
51.64840	4.2
53.03949	4.1
55.05506	23.4
57.03451	24.4
57.03662	4.1
57.07065	11.0
67.05218	5.6
67.05511	66.4
69.02402	4.6
69.07063	13.1
70.18670	12.1
70.19016	6.7
71.08649	7.4
79.05496	63.6
81.07065	45.8
83.04984	7.5
83.08607	8.6
89.06031	14.4
91.05456	22.3
93.07054	84.6
95.08608	100.0
97.06535	8.1
97.10149	5.0
98.20955	9.4
99.08112	6.1
105.07037	16.2
107.08614	32.5
109.10146	14.5
119.08583	10.0
121.10165	79.4
123.08070	9.2
127.04687	5.1
131.08583	19.8
133.08598	5.7
133.10156	8.0
134.61478	4.6
135.11702	10.7
139.11148	7.4
145.10109	5.4
149.09613	19.5
159.10226	11.1
167.10690	13.2
173.82816	4.9
202.16330	5.5
215.12885	23.5
221.23958	5.4
241.14381	42.0
255.23225	21.0
259.15414	60.3
261.22113	7.9
335.25800	65.3
348.30557	5.1
452.94128	5.3
475.34171	39.9
501.35468	6.4
519.36688	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08445	2.9
50.41860	3.3
51.94251	2.8
53.03936	6.5
55.01860	5.9
55.05267	3.2
55.05513	49.3
57.03439	20.2
57.07059	10.3
58.58596	3.7
60.04509	4.8
67.05502	61.0
69.07068	56.1
69.78722	16.3
71.05001	6.0
71.08624	3.9
79.05490	44.3
81.07057	75.1
83.08622	43.6
91.05466	21.4
93.07049	59.1
95.04960	9.5
95.08612	53.8
97.06518	11.2
97.10162	12.7
98.21620	3.0
105.07019	14.2
107.08601	38.9
109.10145	24.9
111.08086	7.8
111.11745	3.4
117.06984	5.9
119.08557	11.0
121.10154	25.8
123.11699	10.3
131.08562	7.5
133.10110	8.7
135.11713	22.7
137.13274	3.8
145.10112	12.8
147.11734	5.4
149.13249	36.7
159.11702	4.4
161.13298	4.1
163.11160	11.8
164.33731	3.6
167.14319	15.4
173.13203	4.8
177.16238	3.4
185.15323	7.9
187.14790	5.4
213.65105	4.2
227.12773	25.7
228.50639	3.6
241.17981	7.3
243.21019	6.4
259.19049	100.0
261.22131	26.6
278.05576	3.3
283.15408	9.2
311.25845	43.5
322.38904	3.3
335.25818	54.2
445.36566	5.0
491.62207	3.5
519.36731	19.5
519.40173	24.4
536.49835	5.1
554.42340	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	555.2602
Annotation	Rubriflorin C
Peak:m/z	Relative Intensity
67.05490	1.5
69.57327	4.1
79.05492	1.4
81.07105	0.7
91.05499	1.1
93.05797	0.6
93.07063	1.0
94.06547	0.7
95.04915	0.6
98.21335	1.5
120.08135	1.0
122.06066	1.0
130.06541	0.9
131.07333	0.9
136.07587	1.5
146.06007	0.7
146.09679	1.4
157.44778	0.6
169.08910	0.9
174.09180	3.2
183.09209	1.8
184.09935	1.0
185.10785	0.7
187.08739	0.8
188.10783	0.7
197.10782	5.4
198.11543	2.2
199.08755	1.1
199.12361	1.5
209.10826	0.9
210.11598	0.6
211.08765	1.7
211.12286	0.9
212.09435	1.1
213.10315	0.7
213.13829	4.2
223.12366	1.0
224.10765	0.8
225.10254	1.5
226.10945	1.4
227.11798	8.4
237.10292	2.0
239.11879	1.1
241.09711	1.0
241.13362	25.5
243.11322	1.5
251.11748	3.9
252.12631	0.8
253.13466	0.9
267.11301	0.6
269.12836	15.7
283.14215	0.9
287.13998	2.2
297.12350	1.2
302.12979	0.7
304.14584	0.9
310.15393	0.6
311.13898	17.8
316.10904	0.6
316.14468	0.9
317.11688	0.8
318.12537	0.8
330.12479	1.3
330.15988	0.8
331.13037	1.0
332.13727	0.8
344.13940	1.6
345.14890	0.7
346.15442	1.8
347.16205	1.3
348.17206	0.9
358.15424	1.0
360.16965	1.9
372.17334	1.1
373.17786	1.2
374.18707	1.2
402.18021	0.7
420.19553	1.7
421.20563	0.7
432.19510	3.3
449.19299	0.8
467.20981	2.0
482.23178	1.1
509.25388	1.9
513.25000	0.7
527.26447	4.4
537.25018	2.2
538.23315	1.0
555.26019	100.0
556.26532	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	25.5
57.03431	21.3
58.92232	6.5
65.03912	6.9
67.05496	63.3
69.03432	6.8
69.07058	20.3
69.36010	44.3
69.36418	10.7
77.75893	6.9
79.05491	62.5
79.65765	6.2
81.03420	58.4
81.07057	61.5
83.04964	12.5
83.08614	22.1
85.02906	18.0
91.05484	62.0
93.07040	62.3
95.04953	22.0
95.08592	46.3
97.10172	7.9
98.20772	15.2
105.07027	35.6
107.08606	24.1
109.10144	12.3
117.07014	14.3
119.08602	50.5
121.10152	23.2
133.10135	15.8
135.11674	10.8
137.09625	18.3
145.10210	7.9
147.11725	16.8
149.09734	7.7
157.10185	9.5
165.09094	20.3
193.12219	33.5
211.13309	43.8
230.33777	7.7
257.13882	17.2
267.15915	16.4
285.16980	48.1
307.22678	100.0
335.25797	19.9
499.33936	14.9
517.35284	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	552.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.05511	13.5
57.03438	10.4
57.07090	4.6
63.64224	1.8
64.68417	1.8
65.03909	2.6
67.05506	71.9
69.07066	19.7
71.04989	9.5
74.09719	3.2
79.05492	32.2
81.07057	100.0
83.08616	10.2
85.06551	15.6
90.37484	2.1
91.05484	17.5
93.07043	28.0
95.04961	2.5
95.08607	97.9
105.07031	13.0
107.08584	14.8
109.06524	2.8
109.10150	12.6
111.08051	2.7
117.06993	3.8
119.08603	13.2
121.10146	16.0
123.11707	6.4
131.08553	6.1
133.10152	7.3
134.23486	2.0
135.11685	8.7
137.13242	4.8
145.10115	3.4
147.11655	11.8
149.13243	4.8
159.11705	2.2
161.13214	2.1
165.12779	9.1
183.13789	5.2
201.14766	5.2
207.33542	2.2
218.38535	2.2
243.20978	2.9
255.15738	2.4
257.17484	79.6
258.78439	2.0
261.22217	10.1
282.51508	2.6
335.25787	78.5
343.64975	2.3
492.09714	2.3
517.38873	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	552.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	18.2
57.03424	12.5
67.05504	50.5
69.07058	22.2
69.37013	100.0
73.21936	9.5
77.40421	10.1
79.05483	33.6
81.07065	54.4
89.06031	12.0
89.89071	9.7
90.71487	10.5
91.05487	24.6
93.07039	23.7
95.08600	38.7
98.21110	50.8
105.07037	26.1
107.08622	19.1
112.94500	10.1
115.13328	10.4
119.08573	28.2
121.10178	22.0
124.96752	10.7
137.12270	9.4
145.10133	11.8
147.11691	17.4
197.62692	10.4
294.49368	11.4
305.08459	10.1
321.44745	12.2
335.25839	43.4
439.06619	12.8
499.38013	18.5
517.38611	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.7
55.05503	6.6
56.87151	2.4
56.87442	2.8
57.03431	11.2
60.04509	2.4
61.02916	2.8
67.05508	15.5
69.03416	5.3
69.07073	23.7
70.06593	26.9
71.05000	3.7
71.58154	4.7
72.08161	3.8
76.02228	3.0
79.05492	21.5
81.03419	25.8
81.07063	23.4
83.04992	4.0
83.08614	2.9
84.04506	7.0
84.08136	6.0
85.02923	14.7
86.09716	13.6
91.05489	28.4
93.07039	20.3
95.04957	6.9
95.08627	14.7
97.02897	7.9
97.06529	10.0
100.11244	10.0
103.05465	4.9
105.07033	9.3
107.04958	4.4
107.08620	12.4
109.06519	7.0
109.10173	12.3
113.24588	2.6
117.07014	4.3
119.08578	38.6
120.08107	24.8
121.06487	4.7
121.10144	10.2
122.07175	2.7
123.08067	11.8
125.09612	6.0
129.07030	4.4
130.05034	4.5
131.08574	6.8
133.10124	6.2
135.07982	2.9
136.06181	2.9
137.05983	10.0
137.09610	19.3
143.07014	5.5
145.10013	2.4
146.52649	2.7
147.08058	9.4
148.07568	4.9
149.09639	5.0
151.03860	2.8
153.09053	4.3
157.10164	4.3
157.13362	3.0
159.11696	3.6
161.09618	4.2
163.07603	2.9
165.09128	18.4
179.04852	4.2
182.15273	3.6
183.10233	3.3
191.10742	3.5
199.14818	4.3
201.05400	2.7
208.55670	2.6
215.06998	4.0
217.15862	4.8
233.08099	2.5
239.12715	5.2
245.15350	6.9
257.13818	11.0
263.16415	5.2
265.08633	3.9
292.07529	3.2
293.08014	3.0
307.09573	3.6
325.10663	13.1
337.20096	14.0
343.11844	4.5
355.21136	100.0
425.12613	3.4
487.30984	2.8
500.06461	2.6
552.19836	3.0
552.30774	3.3
552.44824	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	552.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01861	13.2
55.05514	37.1
56.05035	8.3
57.03439	56.6
60.60126	4.8
61.02912	15.6
67.05507	51.3
69.03409	15.2
69.06717	6.0
69.07067	76.0
70.06594	56.5
71.04987	30.1
71.58159	9.1
72.08153	98.7
73.02905	12.2
73.08486	9.7
74.06084	8.5
79.05493	81.2
80.05014	3.9
81.03420	48.7
81.07063	48.2
83.04975	13.2
83.08611	20.3
84.04501	12.8
84.08147	41.5
85.02900	20.4
85.06530	6.9
86.09712	47.6
91.03937	7.6
91.05476	70.7
93.07043	81.4
95.04961	15.9
95.08601	29.0
97.02880	13.1
97.06538	86.9
99.04472	5.8
99.08083	14.7
100.11260	23.1
101.07140	6.0
103.03919	14.4
103.05470	4.5
105.07037	40.9
107.04951	15.8
107.08607	37.0
109.02864	5.0
109.06554	22.8
109.10160	9.8
110.05997	5.0
111.04467	6.8
111.08070	6.3
113.06028	12.1
115.05406	8.6
115.07572	38.5
116.06209	5.5
116.07041	6.1
117.07060	31.5
119.08578	46.8
120.08128	11.4
121.06506	14.4
121.10146	55.0
123.04411	4.7
123.08067	16.5
124.07573	4.7
125.05943	7.3
126.09193	4.9
127.03887	7.0
127.08668	9.9
128.06187	8.0
129.05493	6.4
129.07060	30.6
129.10239	23.2
130.04996	8.7
130.07799	6.4
130.08672	6.7
131.07045	7.9
131.08563	48.6
133.06476	12.4
133.10159	25.0
135.08087	22.4
136.06154	13.6
136.07544	6.7
136.31177	4.4
137.05965	13.5
137.09610	12.4
138.65045	4.9
139.11172	17.4
141.07022	7.4
143.07019	5.5
143.08549	27.3
145.06470	5.2
145.10135	32.0
147.08011	20.9
147.11659	9.1
148.07541	5.6
149.06039	4.8
149.09605	50.7
153.09114	5.7
155.08469	9.9
157.10060	18.7
159.08066	12.6
159.11690	9.5
161.09631	16.8
161.13235	5.2
163.07463	5.6
163.11121	8.7
165.09070	23.4
167.10695	28.1
171.11716	26.2
173.04520	6.7
173.09590	8.7
175.11159	7.2
177.09138	13.0
181.09958	5.4
182.15399	16.2
183.11499	6.0
185.13287	17.5
187.11133	9.2
189.12747	18.7
199.14778	18.3
201.05537	5.2
209.13194	5.5
210.14954	8.1
217.15877	16.1
223.13402	5.7
225.16356	4.5
227.14279	19.0
239.12729	6.0
241.14363	100.0
244.16440	4.8
245.15359	51.6
257.13779	19.5
263.16446	21.6
269.13760	11.4
281.17715	5.7
283.81097	5.7
301.18341	6.2
313.11725	9.4
316.23148	4.7
319.19009	22.2
321.70862	4.4
329.08157	4.2
337.20099	57.5
353.37405	4.8
355.21194	32.3
361.14551	4.3
490.67258	5.3
495.53369	4.7
499.25046	5.7
552.19617	8.0
552.30975	20.2
552.40222	7.2
552.44733	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	552.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.0
55.05510	9.6
56.05039	9.8
57.03465	1.5
58.99582	14.5
61.01147	2.8
65.03979	1.3
67.04234	1.6
67.05492	4.6
68.05029	8.5
69.03423	3.0
70.02952	3.8
70.06582	10.7
70.45451	1.7
70.45793	4.7
72.04511	4.7
72.08140	2.7
74.00656	8.1
75.02683	1.9
75.72503	1.4
76.02237	17.5
76.03993	6.2
79.05488	5.2
80.05021	9.4
81.03416	4.2
81.05807	3.1
81.07050	4.8
82.06564	2.2
83.04991	1.7
83.06104	6.6
83.08617	4.1
84.04507	61.8
84.08136	3.9
84.66625	1.5
85.01130	42.8
85.02907	5.8
85.04022	3.7
86.00658	34.3
86.09711	4.6
86.99055	53.0
88.02206	4.8
91.05484	4.6
91.48360	1.3
93.07041	3.4
95.08578	1.7
96.04497	3.9
97.01114	7.5
97.02874	2.3
97.10168	6.7
98.00629	4.8
98.06042	1.9
99.01395	2.4
99.05560	2.6
100.02224	6.4
102.03773	22.7
102.05551	17.3
105.07034	2.3
107.04966	1.7
107.06100	2.6
107.08585	2.5
108.04522	2.5
109.07645	4.0
110.06052	1.9
112.02198	35.1
112.03929	3.2
113.00571	6.4
114.00089	2.3
114.03771	14.8
114.05526	1.9
116.01690	23.1
117.70430	1.5
119.08584	2.7
120.08150	3.0
121.10136	1.4
122.06064	1.5
124.02169	4.7
124.03875	1.6
125.09649	3.6
126.03761	3.6
129.06628	5.4
130.03246	15.4
130.04997	24.4
130.06529	1.5
132.01169	3.2
133.10118	3.2
133.28992	1.5
134.06056	2.2
135.11734	1.8
136.06210	1.7
136.07619	2.0
137.05981	5.8
140.01682	5.0
142.03227	43.8
142.04961	2.6
143.02745	35.3
143.04488	3.2
144.01128	6.0
145.06189	4.4
145.07603	4.4
145.10083	2.0
146.02754	1.6
146.07939	2.1
148.07542	2.1
149.09694	1.6
152.01639	3.6
153.06535	2.8
155.08197	4.9
156.06534	3.3
158.02637	7.5
162.02202	10.4
162.05591	2.2
163.11172	2.0
168.04851	4.8
168.06586	2.1
169.04314	8.8
170.02707	4.8
171.02235	6.2
173.05850	1.9
173.09271	2.4
174.02296	1.6
177.03358	8.7
178.03203	1.7
179.04842	13.2
181.06131	5.2
184.05980	2.4
187.05493	2.1
188.03773	5.6
188.05377	2.1
189.03302	100.0
193.12262	2.5
196.04301	10.3
199.05438	2.9
199.07175	2.8
201.05423	4.1
205.06447	18.1
211.13341	4.0
215.04868	48.6
217.06438	6.4
223.07890	1.8
224.03777	5.3
227.04918	3.2
231.04402	2.8
232.05193	2.1
233.05928	21.4
237.09213	2.3
241.06438	3.1
243.04495	1.9
245.05914	8.2
248.11055	1.8
250.06291	2.7
257.07660	2.1
259.07681	3.0
265.08572	6.1
266.12067	4.7
269.05862	4.1
282.08780	1.7
282.84756	1.5
284.13156	4.0
287.06967	18.2
292.07651	1.8
293.08130	6.3
297.11078	2.8
299.07132	1.8
303.05075	2.5
304.05106	1.7
307.09766	7.8
308.09174	2.3
313.11765	4.5
320.15305	6.1
325.10724	30.2
334.10690	2.8
343.11780	13.7
345.07358	3.7
362.10114	10.3
405.16992	12.7
423.17972	4.2
534.20624	4.1
552.21637	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	552.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74450	0.5
55.01862	1.2
57.03425	1.0
61.02926	1.0
67.05470	0.5
69.03430	1.0
70.06593	3.7
70.35309	2.1
71.04961	0.6
72.08149	0.7
73.02894	0.7
79.05483	0.9
79.84290	0.6
81.03402	0.8
81.07039	0.7
84.04482	1.6
84.08125	1.6
85.01112	1.0
85.02918	4.1
86.00630	1.0
86.09702	1.9
86.99049	1.5
91.05481	2.2
93.07038	1.0
93.71157	0.5
94.04147	0.6
97.02875	1.7
98.20801	0.6
98.21329	0.9
102.05550	0.9
103.05428	1.2
105.07015	0.8
107.05006	0.5
107.08610	0.7
109.06501	0.6
110.06021	0.5
111.04452	0.5
112.02205	0.9
112.07632	0.7
115.05427	1.8
116.01653	0.6
119.04941	1.4
120.08105	3.2
122.03657	0.9
129.10222	0.7
130.04956	1.1
131.04921	0.7
132.37720	0.5
136.06168	1.1
136.07620	0.9
137.05980	14.3
141.29942	0.5
142.03166	0.6
143.04955	1.9
145.04932	0.7
145.06485	1.0
147.04405	1.3
148.07585	5.9
149.05931	0.9
150.06758	1.5
151.03944	0.6
158.03607	0.6
159.04393	2.0
160.05258	0.6
161.06041	0.8
173.05969	2.5
175.03963	1.8
175.07607	3.3
177.06938	1.2
186.03125	2.1
187.03941	1.3
189.03339	1.2
189.05553	0.5
191.08517	0.8
194.07272	1.8
201.05469	10.1
202.05954	0.6
203.07147	0.6
205.06490	8.2
211.59309	0.5
215.04919	0.7
218.07692	0.6
219.08134	1.3
221.06030	1.5
221.09590	1.0
222.06752	4.4
223.07607	0.5
233.06000	9.7
234.06816	2.9
237.09106	10.3
239.07043	1.5
247.07576	1.9
249.05521	1.1
250.06288	8.1
251.07019	2.1
252.08714	2.4
261.05557	1.7
262.06088	0.7
263.06964	0.6
264.07809	2.8
265.08612	23.3
265.11462	1.1
266.09363	1.8
267.06604	1.9
267.11273	0.8
274.06369	0.6
277.04898	1.4
278.05765	4.3
279.06799	0.7
279.10184	2.3
282.08838	2.3
283.09595	1.3
292.07355	7.7
293.08084	18.6
294.08813	1.9
295.06042	1.1
295.10843	0.7
297.11215	8.7
301.11887	1.8
304.05298	1.1
307.09674	24.6
310.08359	3.2
313.11826	4.9
325.10712	100.0
326.11035	1.0
337.10583	1.0
343.11761	41.6
355.11719	1.2
448.18506	1.1
552.20203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.9
54.79884	0.8
55.05511	5.1
56.28033	0.7
57.03445	4.6
57.07061	2.2
65.72102	0.7
67.05501	6.6
69.03409	2.2
69.07067	10.2
70.01630	1.9
70.02014	2.0
70.06586	2.0
71.04997	0.9
71.08632	22.1
73.18238	0.8
74.00034	0.7
79.05499	3.8
81.07054	12.4
83.08611	4.2
85.06545	1.0
91.05485	4.2
93.07048	5.7
95.04945	2.8
95.08602	9.1
97.02899	0.8
97.06561	3.9
97.10199	0.9
98.21095	1.8
98.98472	1.5
99.07468	1.4
99.08098	19.8
105.07043	4.8
105.70785	0.7
107.04906	0.8
107.08601	5.7
109.06534	8.6
109.10142	4.5
111.08077	2.4
119.08591	5.1
121.06523	2.3
121.10163	4.2
123.08071	1.8
123.11704	2.2
130.06548	2.0
131.08559	1.8
133.10178	4.2
135.08052	2.4
135.11694	2.4
137.09599	1.0
139.11151	1.8
145.10123	1.8
147.07973	0.9
147.11674	1.9
149.09598	1.8
149.13287	1.2
151.11134	0.9
159.11754	1.9
161.13211	1.7
163.11171	1.7
165.12762	22.8
167.10690	1.2
175.14751	1.2
177.12697	1.4
177.83621	0.7
179.14398	0.9
181.12259	1.0
201.16356	1.3
209.18997	1.9
216.06348	0.9
219.17375	1.6
237.18599	1.4
279.19547	2.8
289.25272	11.5
299.23663	1.8
313.26248	0.8
317.24817	9.7
335.25821	42.6
378.29794	1.6
391.28177	1.0
409.29492	100.0
410.29919	1.9
471.25079	1.1
480.10663	0.8
550.30505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33525	1.5
53.03943	4.9
55.01878	8.4
55.05515	13.1
57.03439	8.0
57.07072	1.8
62.40106	1.6
65.03915	2.2
67.05505	48.5
69.03424	4.0
69.07075	11.6
69.36202	12.6
71.04991	3.8
79.05495	51.4
81.03429	2.7
81.07058	36.8
83.04984	4.6
83.08620	4.0
85.06562	2.6
91.05486	24.2
93.07046	49.5
93.10040	1.6
93.68736	1.5
95.04970	5.4
95.08609	31.8
97.02918	7.5
97.06507	1.7
99.00835	2.3
99.04451	13.1
100.11419	2.3
103.05463	1.5
105.07034	10.6
107.04956	13.8
107.08600	56.3
109.06491	2.4
109.10167	11.5
111.04443	5.1
115.05452	3.6
117.07021	39.7
119.08597	11.1
121.06494	12.0
121.10150	12.3
123.11711	1.9
125.09633	5.9
131.08600	5.1
133.10139	3.7
134.18317	1.4
135.08055	65.6
135.11711	8.4
137.09700	1.5
145.06490	9.8
145.10133	5.0
147.11671	2.7
149.13275	4.8
153.09131	10.8
159.11630	3.7
161.13234	3.4
163.07553	63.3
163.14803	1.9
173.13164	2.4
181.08597	13.9
187.14854	2.0
199.09651	100.0
235.96948	1.5
243.21152	3.2
255.12280	96.9
261.22192	17.2
335.25818	76.0
515.33704	45.6
550.25262	3.4
550.89197	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01860	1.9
55.05262	1.3
55.05518	15.0
57.03433	9.6
59.05014	1.3
65.03937	1.4
67.05503	34.2
69.07071	9.8
69.76745	4.3
69.77162	2.6
71.04980	2.4
79.05489	43.1
81.06575	1.7
81.07056	34.4
83.04971	3.8
83.08625	7.2
85.06511	1.8
86.09701	2.0
91.05473	16.4
93.07047	48.6
95.04938	6.1
95.08607	37.4
97.02859	1.4
97.06494	2.9
98.21144	4.2
99.04458	2.9
99.08054	2.0
104.10735	3.7
105.07026	10.4
107.04945	4.9
107.08598	25.5
109.06500	2.4
109.10140	6.6
111.08089	1.3
117.06999	7.6
117.54474	1.2
119.08578	13.0
121.06480	3.2
121.10140	24.3
123.08125	1.5
123.11710	2.1
125.06029	1.8
131.08510	3.3
133.10112	5.5
135.08119	2.0
135.11696	34.4
143.08585	1.6
145.10129	18.1
147.11642	1.7
149.13252	3.9
159.11691	2.7
163.11174	32.5
173.13306	1.9
181.12233	4.8
184.07312	4.9
215.17937	3.7
216.35880	1.4
227.12779	57.6
233.19060	5.9
237.93327	1.1
283.15366	33.6
307.22662	100.0
308.23077	1.5
385.60788	1.2
515.33710	43.2
550.25458	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
56.05022	0.6
57.03440	1.8
63.11636	0.3
69.03448	0.4
69.16019	0.3
70.06586	2.1
70.53688	0.3
70.76400	0.6
70.76734	0.6
71.01358	0.4
71.04997	13.4
72.08144	1.1
73.02901	0.9
77.19104	0.4
79.05497	0.4
81.03397	0.5
84.04502	0.4
84.08144	1.4
85.02905	12.0
86.09712	1.9
87.04456	0.4
91.03969	0.4
91.05504	0.4
95.04999	0.6
98.21237	0.5
104.05325	0.4
105.07051	0.5
107.04968	0.4
110.07105	0.5
111.00795	0.7
120.08102	1.2
121.02872	1.6
127.69533	0.4
129.05476	2.3
129.10229	0.7
130.04999	0.6
133.02885	0.4
137.02386	0.5
137.05992	2.2
144.08078	0.4
147.04381	0.4
153.01859	2.5
165.01880	1.2
179.10138	0.4
183.02956	0.5
185.06122	0.6
192.61310	0.3
213.05435	0.9
229.64294	0.4
231.06477	0.5
241.04965	0.5
248.50441	0.4
250.84302	0.3
258.05283	1.0
259.06018	0.4
287.05505	100.0
288.05725	0.8
299.35617	0.4
317.11252	0.4
397.09335	0.5
403.10193	9.0
403.15170	0.7
549.19409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2859
Annotation	Eupenifeldin
Peak:m/z	Relative Intensity
55.05489	0.3
57.07067	0.3
65.63794	0.2
66.14651	0.2
67.05499	0.7
69.07072	0.6
69.84261	1.1
69.84669	0.6
69.84845	0.2
79.05482	0.4
81.07063	0.7
91.72542	0.2
93.07056	0.4
95.08607	0.7
98.21162	0.8
103.71148	0.3
107.08656	0.3
109.10147	0.5
116.33609	0.3
119.08605	0.5
121.10114	0.3
159.11644	0.3
375.16226	0.7
389.17731	1.2
390.18417	1.7
391.19171	2.1
392.19943	0.4
393.20926	0.4
403.19370	1.3
404.19971	3.0
405.20712	13.6
406.21490	2.2
407.22501	0.4
417.20831	0.8
418.22095	1.5
419.22366	14.3
420.22900	3.3
421.23816	0.4
431.18561	0.4
432.18881	0.8
432.23911	0.5
433.19980	4.1
433.24188	4.3
434.24689	4.1
435.25473	16.5
445.19797	0.4
447.21329	12.6
448.26587	1.5
461.23312	3.2
477.22870	0.5
489.26508	1.1
491.24286	0.8
505.22632	0.5
506.26801	1.0
517.26019	1.1
520.24695	2.1
521.29150	10.9
522.30023	0.3
534.26215	0.6
549.28613	100.0
550.28906	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	550.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.5
55.05503	16.1
62.06077	29.7
66.89390	8.7
67.05505	25.3
68.45396	6.3
69.07063	28.7
71.08617	12.7
71.18999	14.0
71.92077	7.1
75.40592	6.3
78.34682	7.2
79.05482	26.3
80.72453	7.3
81.03423	8.5
81.07057	38.5
83.04941	8.1
91.05462	14.4
93.07047	37.0
95.04974	9.5
95.08603	26.8
97.06518	16.5
98.98483	66.5
99.08091	17.3
105.07035	26.4
107.08591	17.8
109.06512	28.3
109.10134	15.9
119.08572	29.0
121.06493	14.7
121.10130	14.5
123.08039	10.8
130.06505	21.3
133.10104	18.3
135.08110	10.5
145.10086	19.2
147.11630	9.0
155.01073	10.2
159.11661	10.0
163.11118	10.7
165.12740	54.7
165.94759	7.0
191.14291	11.2
191.82718	7.4
196.10437	7.3
201.16298	9.2
202.03229	7.4
212.82408	7.1
216.06360	13.2
273.18222	8.5
289.25272	26.2
317.24704	86.0
335.25824	22.7
360.28821	15.7
373.27142	34.3
391.28436	100.0
409.29462	15.1
471.25021	88.9
489.26178	97.1
514.29425	18.4
532.30396	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01865	2.6
55.05505	6.4
57.03434	3.7
57.07064	4.2
67.05502	11.2
69.03401	2.0
69.07062	13.0
71.04981	1.5
71.08626	13.5
78.93657	1.2
79.05497	9.9
81.07059	23.7
83.04955	1.6
83.08612	4.7
91.05487	5.0
91.09967	1.2
93.07045	14.2
95.04987	7.4
95.08605	14.0
97.06529	5.8
97.10180	2.2
98.98462	5.1
99.08079	11.6
105.07027	14.9
107.08564	8.9
109.06522	17.9
109.10145	5.6
109.90044	1.2
111.08090	1.3
116.39774	1.3
117.07040	1.8
119.08588	8.2
121.06449	8.0
121.10118	6.3
123.08079	4.4
123.11691	3.7
124.02707	1.2
130.06512	1.9
131.08580	6.0
133.10135	9.3
135.08063	5.3
135.11664	4.4
139.11201	2.7
141.09106	1.2
145.10126	4.7
147.11687	3.2
149.09601	1.6
149.13322	2.3
159.11716	4.0
161.09659	2.4
161.13275	2.8
163.11197	4.0
165.12755	37.6
171.11674	1.5
173.13277	2.3
175.14816	1.4
175.69890	1.5
177.12819	3.0
179.14244	2.5
181.64905	1.4
185.13327	1.9
189.16441	1.3
191.14339	4.9
198.05455	2.1
209.19002	8.3
216.06310	2.0
216.61227	1.5
219.17422	2.7
259.17090	1.3
275.20044	2.9
279.19473	1.7
289.25250	13.0
307.26279	2.0
317.21024	1.9
317.24756	33.0
335.25812	22.1
347.25711	4.4
355.26230	2.8
360.28845	2.6
361.27344	2.3
369.70215	1.5
373.27414	7.9
391.28439	100.0
409.29492	37.7
451.80600	1.4
471.25726	1.6
478.08929	1.6
489.25931	3.3
532.29730	2.1
539.32275	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05505	2.0
56.05037	1.5
57.03424	0.6
58.06614	1.6
59.44656	0.5
60.08165	18.7
63.16364	0.4
67.05504	4.5
69.07063	1.0
69.25964	0.5
69.43663	3.7
71.07369	7.7
74.38358	0.4
79.05495	3.0
81.07076	4.0
83.08588	0.8
86.09705	54.0
88.60760	0.4
91.05476	2.4
93.07039	3.1
94.07401	0.5
95.04971	0.5
95.08610	2.9
97.10152	0.8
98.21188	1.6
98.98455	3.9
98.99035	0.5
101.13162	0.4
104.10744	100.0
105.07030	1.7
106.07338	0.6
107.08585	1.2
109.10149	1.2
117.06994	0.7
119.08588	1.0
121.10163	1.2
125.00008	30.4
125.09642	0.5
131.08575	0.5
133.10117	0.6
135.11716	0.9
143.00938	0.5
145.10139	0.4
147.11708	0.8
149.09666	0.5
163.01569	0.5
184.07341	98.7
244.79674	0.5
257.15656	0.5
258.11069	1.1
339.39389	0.4
363.28815	0.6
368.57294	0.4
510.61823	0.5
511.35361	0.4
528.34216	7.4
546.35468	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	548.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01862	4.8
67.05502	2.0
69.07046	4.0
70.06579	3.6
71.58486	1.5
76.29984	1.1
81.03436	2.2
81.07064	2.1
91.05483	1.8
96.04515	2.0
98.20939	1.3
103.05488	1.5
108.04494	3.7
111.67257	1.3
112.07601	1.9
118.06535	5.8
120.08108	2.2
122.06062	2.4
130.06529	81.4
131.06842	2.1
140.07088	3.8
146.06029	3.1
147.06786	1.8
148.07581	11.2
167.07367	2.6
168.06583	7.0
182.09680	6.9
184.07458	3.0
187.08583	1.5
193.18982	1.3
196.25816	1.3
197.10808	2.3
198.09251	2.7
199.07124	2.1
199.08554	7.0
208.10049	1.8
212.09348	2.2
213.10217	9.5
214.10956	2.8
215.11844	5.3
225.10229	7.7
226.08702	3.3
227.08235	6.3
227.11693	8.5
229.09824	2.0
241.07954	4.2
241.09840	3.8
241.13409	5.0
242.10388	2.8
243.11316	4.1
244.71992	1.7
247.14301	1.7
251.11891	2.5
252.10153	1.5
255.11288	32.4
269.12851	14.3
275.02859	1.4
275.13861	2.1
279.11426	2.8
285.12411	3.7
287.14059	1.3
297.12329	22.9
298.07785	1.3
303.13358	2.5
315.13376	76.7
344.13770	1.6
391.15030	6.9
403.14749	1.8
414.18616	1.5
419.14490	24.8
431.14532	53.9
432.19342	12.1
530.18909	1.7
548.20276	100.0
558.02936	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29857	0.8
55.05516	1.5
56.05027	1.4
57.07068	0.7
58.06595	1.7
59.94334	0.7
60.08167	17.0
60.28796	0.8
66.31378	0.7
67.05501	3.7
69.07063	1.7
69.25459	7.5
71.07390	6.3
79.05479	1.2
81.07053	3.6
83.08618	0.9
86.09709	51.4
91.05505	1.2
93.07030	1.7
95.08630	3.1
98.21363	3.1
98.98492	3.8
104.10748	98.1
109.10158	0.9
111.12661	0.7
119.08600	1.4
121.10111	0.9
125.00010	28.3
156.92307	0.7
163.01547	0.8
184.07350	100.0
188.05203	0.7
258.11130	1.6
324.10669	0.8
448.53708	0.7
530.36035	7.1
548.37109	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.3
55.01854	6.4
55.05510	20.6
58.99599	7.8
65.03928	3.7
65.20042	3.4
67.05169	4.7
67.05508	58.4
69.03422	4.2
69.07059	15.8
70.02930	9.3
71.58023	4.2
76.02216	12.3
77.04976	3.2
79.05060	4.6
79.05495	70.5
81.03432	5.3
81.07059	64.1
83.04980	5.0
83.08611	8.1
84.08169	3.4
85.01134	100.0
86.09685	6.5
86.99062	5.7
87.02686	12.6
88.04000	74.3
91.05487	77.8
93.07039	70.0
95.04965	13.7
95.08601	41.6
97.01109	18.6
97.06512	10.4
97.10152	4.0
98.90932	3.4
99.02682	16.2
103.05491	6.1
105.07032	51.9
107.04943	15.4
107.08601	41.5
107.96535	3.7
109.06490	7.2
109.10147	10.2
111.02662	13.3
113.04221	5.7
117.07016	38.6
119.08579	34.6
121.06491	6.1
121.10149	28.2
122.02713	11.5
123.08038	5.1
125.04216	4.7
127.02146	46.4
128.06201	3.7
129.07005	20.3
131.08566	59.6
133.06482	13.1
133.10115	24.8
135.08060	8.5
135.11676	15.8
136.06201	4.1
137.04236	6.1
141.07025	8.5
143.08565	12.8
145.03215	42.0
145.10158	27.8
147.08054	14.8
147.11662	15.8
149.09637	9.8
155.08563	8.7
157.10159	14.4
159.11697	17.2
161.09605	13.9
161.13254	6.1
163.11189	9.1
169.10168	8.5
171.11679	16.9
173.09682	5.5
173.13234	6.3
175.11208	11.3
177.12692	8.0
181.10240	4.1
187.02417	4.8
211.14798	5.4
213.16438	5.7
227.17966	6.6
237.16376	15.6
245.18980	6.4
247.16869	4.7
255.17442	14.8
263.14645	4.3
263.19919	7.7
273.18509	81.1
280.76633	3.7
283.17303	14.1
291.19492	20.8
305.15701	16.7
307.17255	13.4
309.20642	6.6
323.16589	5.6
325.18320	16.9
331.17252	5.3
348.19873	13.4
366.20874	16.4
376.19296	12.7
384.22101	17.7
394.20511	47.8
412.21558	20.8
457.18857	4.4
459.20535	5.2
500.22900	22.3
511.20416	4.8
512.00848	4.1
529.20709	8.8
546.23657	72.4
546.30975	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	546.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01856	2.9
55.05518	21.0
57.03430	7.4
57.07054	5.1
65.03946	3.6
67.05506	85.2
68.05816	3.1
69.07078	21.5
69.39056	6.9
69.39483	14.7
69.79324	2.6
73.02943	3.3
79.05499	50.1
81.03436	2.7
81.07059	100.0
83.08620	12.2
85.02883	5.1
85.06497	2.8
91.05483	31.7
93.07055	57.7
95.01316	5.4
95.04958	6.3
95.08042	5.0
95.08609	68.9
97.06510	2.8
97.10177	7.8
98.21120	12.7
105.07040	25.2
107.08603	39.0
109.10162	39.4
111.08067	4.1
117.07023	9.5
119.04910	3.3
119.08577	24.6
121.10142	44.3
123.11721	20.6
125.09632	4.1
129.07071	2.8
130.06590	3.0
131.08557	24.6
132.43906	2.5
132.80373	2.9
133.10138	14.2
135.11710	30.2
137.13248	9.6
141.01810	7.2
145.10117	20.6
147.11679	15.7
149.13255	19.7
151.11134	4.1
151.14818	4.8
159.11690	15.4
159.25475	2.5
161.13251	10.8
163.11205	3.1
163.14838	16.1
165.12811	4.5
169.15578	2.6
173.13261	18.9
177.16385	5.5
187.14816	9.0
191.14421	3.1
201.16374	5.0
226.07304	2.7
243.21077	30.2
261.22144	92.9
279.23172	4.8
335.25876	26.0
353.27011	23.1
355.95767	3.1
528.37622	6.2
546.38470	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3115
Annotation	CHEBI:69141
Peak:m/z	Relative Intensity
50.18516	1.4
53.03952	2.7
55.01866	2.1
55.05514	14.2
57.03439	4.7
57.07077	3.2
57.60857	1.5
63.02375	2.1
65.03946	2.5
67.05513	29.2
69.07071	8.3
73.37563	1.7
79.05501	19.7
81.03426	9.3
81.07063	27.3
83.04944	2.2
83.08628	8.6
86.09706	4.5
89.03951	9.1
91.05489	20.8
93.07045	20.5
95.04978	8.7
95.08614	17.6
97.06531	1.8
97.10165	7.3
98.21098	9.6
105.07037	15.5
107.04968	4.6
107.08587	11.8
109.06521	2.1
109.10165	9.8
111.08054	2.3
115.05369	1.6
117.03385	25.6
117.06997	5.8
119.08596	13.9
121.06499	3.1
121.10151	8.0
123.08086	3.2
123.11668	2.3
125.09657	5.8
129.07031	4.2
131.08578	11.6
133.10138	8.8
135.04404	2.6
135.08078	1.9
135.11710	6.7
143.08585	3.5
145.02858	47.4
145.06485	2.0
145.10121	9.0
146.98221	7.4
147.11687	6.5
149.06004	9.0
149.09679	2.7
149.13318	2.7
157.10103	3.4
159.11716	7.1
161.09653	1.7
169.10181	2.6
171.11710	2.4
173.13351	3.8
175.14922	2.0
177.05489	100.0
185.13214	2.5
186.05533	2.8
187.14911	2.2
189.11217	2.9
193.12143	2.3
193.74591	1.5
227.12779	4.8
243.21211	1.8
251.09189	2.8
261.18567	2.2
261.22180	3.9
267.15930	6.2
272.25882	2.5
285.22144	1.9
301.25330	4.8
335.25912	4.8
340.29272	2.2
435.32620	1.8
453.33658	5.1
471.34744	5.1
486.26730	10.7
527.30096	3.3
527.37292	16.4
545.38898	31.6
556.88440	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	34.7
67.05510	72.1
69.07072	32.2
71.08638	18.0
79.05489	84.8
81.07060	100.0
83.04986	16.4
83.08635	28.2
87.42934	9.9
91.05493	48.9
93.07024	73.8
93.73230	11.4
95.05020	15.4
95.08615	35.9
97.06548	14.2
97.10143	11.7
99.08133	20.0
104.20889	10.5
104.59261	11.7
105.07042	21.8
107.04961	13.7
107.08609	45.2
109.10180	18.5
117.06997	15.8
119.08578	23.9
121.10144	42.3
131.08569	25.1
133.10129	28.2
135.11662	24.0
139.22076	12.2
145.10135	17.5
151.11243	13.7
159.11768	16.0
168.47737	12.2
179.14310	77.5
197.13150	14.0
205.35440	13.9
277.21710	54.1
289.90088	12.0
383.11084	16.3
402.74582	12.2
452.95712	13.8
545.31616	24.9
545.39185	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.8
53.03939	2.9
55.01859	3.3
55.05261	1.2
55.05512	16.4
56.37027	0.8
57.03436	2.0
57.07071	3.7
65.03940	2.7
67.05508	51.7
69.03444	1.9
69.07069	14.9
71.04993	2.5
71.08636	1.1
71.12914	1.6
72.04511	3.6
79.05497	34.5
81.03424	2.6
81.07060	51.1
83.04981	3.7
83.08611	11.1
85.06538	1.4
90.00880	0.9
91.05486	19.2
93.07047	43.8
93.27785	0.9
95.04974	7.3
95.08614	55.9
97.02886	4.9
97.06543	4.7
97.10155	2.1
98.21021	1.6
99.04456	3.7
105.04513	1.7
105.07026	11.8
107.04971	8.1
107.08598	29.0
109.06532	2.5
109.10162	13.5
111.04414	1.1
111.08102	2.1
117.07026	8.1
119.08586	13.9
121.06496	5.2
121.10155	13.5
123.11709	3.4
125.05983	2.7
129.07076	1.1
130.07773	1.9
131.08595	2.1
133.10136	6.9
135.08075	1.8
135.11696	38.6
137.09677	1.0
137.13283	2.9
139.07533	1.9
143.08563	1.2
145.10126	22.7
147.11668	3.0
149.13231	2.0
153.12726	1.1
157.10153	0.9
161.13292	2.2
163.11188	53.8
175.14825	2.0
181.12231	12.9
209.11650	1.0
227.12791	100.0
228.13136	1.2
245.22743	2.2
261.22220	1.1
263.23718	3.3
267.15976	2.4
283.15530	1.0
396.25583	1.1
484.84772	1.2
527.37372	1.5
545.38397	64.8
546.38898	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	543.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72908	0.4
55.05521	1.9
57.07074	2.4
59.27523	0.4
59.87790	0.4
62.78525	0.4
65.03940	1.2
69.03422	0.6
70.88663	0.9
73.02903	0.6
75.94695	0.4
81.03450	0.5
81.07062	0.5
85.02905	1.6
87.00824	0.4
98.21091	0.5
107.08665	0.4
109.02827	0.5
113.54897	0.4
121.02885	3.0
121.03658	0.5
123.87782	0.4
127.03910	0.7
130.06525	1.9
131.06856	0.8
149.02348	100.0
150.02647	0.7
166.18149	0.4
167.03430	1.5
190.04979	0.5
203.07120	0.5
205.08607	11.8
220.34000	0.3
221.08141	0.9
221.75462	0.3
223.09875	0.4
225.27885	0.4
277.14368	4.3
357.42508	0.4
365.15326	0.5
543.18909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.7
56.05039	1.3
60.04534	1.0
68.59772	0.7
69.07068	5.4
70.02969	1.7
70.06591	100.0
71.06889	1.0
71.57631	0.9
72.08154	25.2
72.47598	0.9
79.05511	0.7
84.04491	1.6
84.08172	3.4
85.04026	2.2
86.09706	61.6
87.05589	8.1
96.08126	4.0
98.02425	4.2
102.05582	1.3
109.11176	0.7
110.03543	0.8
110.07170	1.6
110.09673	1.5
113.10772	2.3
116.07055	1.3
120.08118	1.6
129.10246	1.9
136.06203	1.3
136.07582	1.1
138.09135	4.3
141.10229	19.8
141.11299	1.3
145.02795	0.9
147.04427	1.2
152.05679	25.9
153.04063	2.3
155.11794	25.2
161.06042	1.1
162.07809	1.7
166.08603	1.0
175.67665	0.8
177.05499	1.0
183.11302	15.6
189.09161	0.9
192.32719	0.7
197.12881	1.7
199.10814	3.0
200.13937	67.4
201.14182	0.8
211.10751	1.8
215.06799	0.9
217.11833	85.2
222.16090	2.2
228.13437	53.5
268.16675	2.0
299.20764	1.5
309.19492	1.9
310.17517	1.3
316.18631	6.7
327.20267	28.8
384.74420	0.9
410.14609	1.5
428.15591	0.9
544.16650	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	543.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.3
53.03942	4.1
55.01870	3.1
55.05516	15.9
57.03430	2.1
57.07067	3.4
58.31062	1.1
60.28699	1.2
65.03934	1.9
67.05507	35.3
69.03400	1.6
69.07064	9.4
71.04987	2.5
73.02914	1.7
75.66288	1.4
79.05498	44.4
79.05960	2.4
81.07058	36.0
83.04980	4.5
83.08626	6.5
91.05485	22.9
93.07049	56.0
95.04977	8.6
95.08613	41.6
95.09235	1.5
97.02885	4.1
97.06513	3.4
97.10163	1.9
98.10461	1.1
99.04475	2.8
105.07032	14.1
107.04951	8.4
107.08601	32.3
109.06535	2.5
109.10164	7.0
115.05469	1.1
117.07001	12.6
119.08587	13.9
121.06530	5.0
121.10135	17.1
123.11697	1.8
125.06034	1.4
130.07782	2.1
131.08595	6.8
133.10152	7.6
135.08057	2.5
135.11702	43.8
139.07545	1.5
143.08580	1.2
145.09038	2.0
145.10135	27.9
147.11726	1.9
149.13258	3.5
153.12772	1.6
159.11696	3.1
161.13254	3.7
163.11195	55.3
173.13286	2.9
181.12233	12.7
209.11731	1.5
227.12785	100.0
243.21283	1.4
261.22263	6.7
317.24561	1.3
355.25757	1.3
527.97540	1.1
542.53973	2.6
543.36780	62.4
543.54156	3.2
544.37482	2.1
567.27051	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01873	3.8
55.05514	17.8
57.03439	2.3
57.07073	1.8
65.03953	1.6
67.05167	2.2
67.05509	39.7
69.03436	2.2
69.07077	11.0
71.04986	3.4
71.31670	2.5
79.05499	43.9
81.03422	2.7
81.07063	40.4
83.04993	4.1
83.08623	9.4
85.06525	2.0
85.10188	1.3
89.06021	2.1
91.05480	22.4
93.07048	59.5
95.04967	10.1
95.08611	48.5
95.09228	1.7
97.02910	2.4
97.06528	4.5
97.10183	2.5
99.04437	2.7
99.74953	1.1
105.07037	18.9
105.97433	1.2
107.04974	6.6
107.08600	35.6
107.09288	2.4
109.06541	1.7
109.10177	7.4
111.04436	2.0
117.07021	13.7
119.08580	18.3
121.06520	4.8
121.10150	19.2
123.11699	1.5
129.07016	2.8
130.07811	2.6
131.08597	7.3
133.10159	6.6
135.08060	2.2
135.11702	46.3
139.07599	1.4
143.08527	1.7
143.85147	1.2
145.10126	27.4
147.11729	2.9
149.13271	4.4
157.10193	1.3
159.11726	3.9
161.13330	1.9
163.11197	53.4
163.14912	1.5
171.11748	1.7
173.13281	3.0
181.12257	12.3
227.12793	100.0
243.20972	1.5
261.22208	7.8
275.20038	2.2
469.33783	1.4
506.16312	1.5
525.35577	1.6
543.20795	2.1
543.36877	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.9884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40060	0.7
51.79363	0.8
56.96573	5.6
71.57265	1.2
72.04109	0.9
79.99200	0.8
80.98103	0.8
82.79029	0.8
92.41054	0.8
95.77140	0.8
98.97584	62.7
113.81232	0.8
116.98622	45.9
126.81390	0.7
134.99669	21.8
140.00259	1.0
153.00732	2.5
158.01306	1.0
172.94334	2.2
185.43330	0.8
190.95409	2.7
208.96469	1.2
214.95407	1.5
232.96503	7.1
240.98796	1.2
247.07823	0.8
250.97591	5.2
256.96399	16.4
258.99777	7.7
260.00143	1.1
261.03143	2.6
262.03250	1.1
263.02823	1.6
272.94434	1.0
274.97510	100.0
277.00888	10.5
279.00531	1.1
283.00076	1.5
288.25534	0.8
288.99106	1.3
292.98557	63.8
297.99115	3.0
301.01053	2.1
303.00940	1.1
307.00311	1.4
316.00262	1.8
316.98792	1.8
374.97806	1.5
398.97620	20.1
401.00790	2.3
416.98697	56.5
431.00198	1.2
434.99817	9.8
440.00345	3.6
449.93976	1.1
456.96332	1.7
540.98914	12.6
541.98804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.7
67.05498	1.1
69.03448	1.0
69.03817	0.5
69.07085	1.1
70.06604	1.1
71.19518	1.1
79.05490	1.1
81.03411	1.1
81.07063	1.7
84.08160	0.7
85.06556	0.8
86.09704	0.7
86.41167	0.5
89.43173	0.6
91.05455	1.0
93.07053	1.6
95.08626	1.1
96.49751	0.6
97.02904	0.7
105.07034	1.1
107.08631	1.1
109.10215	0.7
119.08514	0.8
121.10136	1.0
130.06519	2.4
145.10127	0.7
203.05237	1.2
259.07962	1.6
275.72824	0.6
331.10065	1.3
379.20956	1.1
413.17725	0.9
429.17468	2.1
439.76877	0.7
443.18719	2.1
459.18008	1.3
541.26202	100.0
542.26508	2.6
568.31848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
54.66339	0.5
55.01871	1.3
55.05512	7.1
57.03424	1.8
57.07078	15.6
58.06599	1.9
65.03941	1.1
67.05505	23.1
69.03438	4.6
69.07071	6.8
69.24632	1.9
69.25056	3.7
70.06594	12.3
71.01355	0.6
71.04995	1.8
71.08628	8.4
73.02915	2.2
79.05496	18.5
81.03422	5.7
81.07060	20.1
83.04966	1.8
83.08623	4.4
85.02906	3.8
85.06532	0.8
85.10187	4.0
87.04455	1.8
87.69075	0.5
88.07635	15.2
89.06032	25.0
91.05474	11.1
93.07046	20.1
95.04963	2.6
95.08610	17.3
97.02908	3.5
97.06532	1.6
97.10163	2.7
98.21122	3.2
99.04470	1.8
99.08073	0.7
102.09180	12.1
105.07034	9.4
107.04955	1.5
107.07101	1.0
107.08600	10.5
108.04476	1.0
109.02869	1.2
109.06522	1.3
109.10166	7.8
111.04460	1.9
111.08103	1.3
115.05435	0.9
117.07016	5.4
119.08583	8.5
121.06522	0.8
121.10139	8.8
123.04404	0.8
123.08094	1.0
123.11733	1.8
125.09641	0.9
127.03925	1.8
129.07013	2.2
130.08675	0.8
131.08569	8.8
133.06511	1.2
133.08604	16.8
133.10103	6.4
135.07982	1.3
135.11713	5.4
135.35378	0.6
137.09612	0.7
139.11226	0.6
141.06963	1.2
142.07843	0.8
143.08604	2.1
145.05005	1.1
145.06511	1.1
145.10109	6.3
147.08035	1.2
147.11693	4.7
149.13287	3.3
155.08575	1.3
157.10179	2.4
159.08064	0.7
159.11714	5.5
161.09647	0.8
161.13278	3.0
163.11215	1.4
163.14864	1.5
165.12758	0.9
167.08626	0.5
169.10153	1.7
171.08130	0.6
171.11731	2.0
173.09683	0.9
173.13249	3.5
175.14850	1.4
177.11263	5.3
181.10091	1.2
183.11710	1.4
185.13290	1.4
187.14851	1.0
189.12682	1.0
195.11751	1.1
197.13376	0.9
199.11264	0.8
199.14883	1.1
201.12802	0.8
201.16446	1.0
205.12285	0.7
209.13271	0.7
209.56483	0.5
211.14879	0.8
212.23709	0.6
221.13783	1.0
239.14723	1.2
241.19736	0.8
243.21182	1.1
249.15018	0.9
253.14073	0.6
256.26358	36.1
259.20657	2.2
261.22186	5.5
271.20676	1.5
273.22293	0.7
274.27475	2.9
277.14297	0.7
277.21765	1.0
283.17606	0.7
283.26300	10.1
284.29483	10.3
285.22067	0.7
289.21585	1.4
291.23151	1.0
301.21558	1.2
302.30432	0.8
303.23297	2.1
311.29446	32.7
313.21707	1.0
315.23334	1.6
319.22656	1.1
327.20123	11.8
327.23679	1.1
331.22876	0.9
341.24850	1.3
345.23953	0.8
351.23315	2.0
369.24292	7.0
387.25351	4.1
405.26440	5.5
423.27252	1.6
540.53510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.5
53.40841	4.7
53.45060	4.4
55.01871	8.3
55.05499	22.3
57.03431	11.7
57.07060	4.5
67.05491	17.0
69.03426	37.7
69.07055	20.1
70.06583	13.3
70.88852	4.9
71.04990	7.9
71.08626	7.3
71.18740	5.9
71.19093	10.2
73.02910	8.5
79.05477	17.7
81.03415	38.3
81.07056	53.1
83.04981	9.0
83.08614	9.0
84.08134	9.5
85.02905	48.4
85.06539	10.9
86.09679	5.7
87.00823	22.7
88.11265	9.9
91.05480	15.7
93.07064	33.0
95.04945	14.3
95.08611	31.7
97.02887	24.9
97.06534	7.7
98.09676	9.9
99.04448	10.0
100.07591	6.1
100.11246	19.6
103.03924	6.6
105.01849	15.3
105.07024	20.0
107.08584	27.6
109.02892	32.8
109.06499	12.5
109.10153	15.8
111.04420	6.9
111.08081	49.4
116.10735	7.0
117.07017	4.6
119.08613	25.8
121.06493	7.8
121.10140	18.7
123.08091	7.3
123.11665	8.4
127.03937	55.8
128.07063	6.5
129.01842	4.9
129.06964	5.1
129.10228	7.5
130.06538	13.3
131.08557	8.8
133.10107	20.6
135.08072	20.3
135.11717	9.9
137.09642	6.1
143.07350	6.5
143.08591	8.4
145.04974	14.5
145.06364	5.0
145.10126	21.5
147.11691	11.0
149.13278	7.7
151.07570	35.3
157.10191	6.0
159.02901	10.7
159.08031	9.3
159.11679	5.8
161.09618	5.2
161.13268	5.3
163.11168	18.5
169.10159	6.0
170.15398	26.5
171.11736	6.8
173.09613	7.2
179.10582	9.8
182.15355	10.0
183.11650	5.3
189.12755	100.0
191.14404	6.3
197.11685	10.8
198.14897	32.7
207.12149	5.0
207.13847	34.0
209.16623	5.5
210.14896	14.0
226.14333	8.1
231.05051	5.9
273.18512	24.9
291.19449	11.4
297.65103	5.1
314.28024	7.8
342.27490	7.8
424.31525	18.6
440.49826	6.7
452.31012	5.8
455.19171	24.5
477.24640	7.5
495.25555	9.7
521.23816	54.8
521.40759	9.1
539.24139	63.2
539.41803	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	539.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.2
55.01872	21.8
55.05519	14.7
57.03440	25.8
57.07079	74.3
59.04993	2.8
61.02917	7.0
67.05511	37.5
69.03088	3.2
69.03436	57.2
69.07081	20.3
71.05011	5.9
71.08276	4.4
71.08635	60.9
71.58387	3.7
73.02544	5.1
73.02921	54.0
75.04477	3.5
79.05468	8.5
81.03423	38.5
81.07060	43.5
83.04961	10.4
83.08616	35.1
85.02916	44.5
85.10190	35.3
89.06030	8.5
93.07058	8.0
95.08046	4.3
95.08615	60.6
97.02892	21.8
97.10184	16.5
98.21054	2.9
99.04460	25.7
103.03883	4.3
103.22655	2.7
105.07052	2.8
109.02883	76.0
109.10155	31.9
110.03657	12.0
111.04454	67.1
111.11733	5.6
123.11732	20.4
125.13278	6.8
125.82309	2.9
127.03922	37.8
132.99553	26.6
133.08601	4.4
135.01128	4.1
137.13220	8.5
143.47752	3.0
151.00581	6.2
151.14832	6.9
165.16344	4.5
167.00111	3.4
173.09598	3.2
191.00104	36.2
209.01134	11.0
221.22603	5.2
239.23715	100.0
257.24698	7.8
263.58197	3.0
265.03842	4.8
313.27399	51.0
539.28906	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	540.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76575	0.4
55.05517	0.5
69.56091	1.4
69.56518	1.6
85.02918	2.9
86.09740	0.5
87.00823	1.1
98.20892	1.3
103.05479	1.1
118.06549	1.2
130.06532	100.0
131.06844	0.8
143.07333	0.8
143.08464	0.5
144.04475	1.1
144.08105	1.5
146.05960	0.6
156.08081	1.3
158.06030	2.5
160.07642	1.1
168.08061	0.7
170.05933	0.6
170.09645	1.1
171.02942	0.6
172.07574	1.5
180.08092	0.7
184.07552	1.1
189.03996	0.5
196.07538	1.0
198.09151	2.8
208.07617	0.7
226.08685	5.1
244.09744	1.6
286.10666	0.6
312.08176	0.5
330.09723	13.7
330.13681	0.8
348.10764	7.2
364.87677	0.5
376.10394	2.0
394.11383	10.5
406.11322	1.2
540.24841	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
53.87741	1.3
54.45697	1.2
54.70120	1.5
55.01859	6.2
55.05513	6.8
57.03421	4.6
57.07061	1.7
61.02903	1.9
65.03949	1.8
67.05511	9.1
68.99764	2.0
69.03435	21.8
69.07055	4.6
70.06571	3.4
71.04981	3.7
71.08627	1.9
71.58685	1.8
72.08145	2.3
72.30935	1.4
73.02899	4.0
74.06067	1.2
77.25299	1.3
79.05480	4.1
81.02986	1.6
81.03422	23.7
81.07053	18.5
83.04978	2.4
83.08604	4.7
84.04490	1.9
84.08115	1.6
85.02906	29.7
85.06531	2.9
86.09686	2.8
86.29150	1.4
87.00825	13.5
88.11237	1.7
91.03987	1.9
91.05475	8.4
93.07042	14.4
95.04962	4.9
95.08598	13.7
97.02889	13.7
97.06505	3.1
98.09679	3.8
98.21059	1.6
99.04471	8.3
99.08060	1.9
100.11240	6.4
105.01849	6.7
105.07033	13.0
107.08587	9.4
109.02892	17.3
109.06503	4.7
109.10172	3.5
111.04424	4.9
111.08081	42.8
112.78431	1.4
117.01819	2.2
117.06992	2.6
119.08593	9.9
120.08144	2.4
121.06485	4.7
121.10156	6.6
122.07289	2.4
123.08051	9.6
123.11660	2.9
127.03918	27.6
129.01845	3.4
129.06946	1.6
130.06528	6.6
131.08531	4.9
133.06413	1.5
133.10130	7.4
135.08047	7.4
135.11626	3.5
137.05930	1.7
137.09590	3.5
143.07283	1.4
143.08539	3.3
144.08058	4.6
145.04929	8.2
145.10130	8.8
147.02898	2.4
147.08015	5.0
147.11615	4.9
149.09584	2.0
151.07533	28.8
153.09142	1.5
156.09277	2.0
157.10078	4.6
159.02901	10.1
159.08046	6.4
159.11676	2.2
161.09578	5.4
161.13235	2.6
163.11220	11.4
165.09146	2.1
169.10120	1.5
170.15392	10.3
171.11716	3.3
173.09595	2.3
173.13240	3.1
174.10349	4.5
175.11162	3.2
179.10623	6.5
182.15387	3.7
185.04099	1.5
187.11163	1.5
187.14810	1.4
189.12756	100.0
191.14258	2.8
197.11691	9.5
197.13248	2.1
198.14917	10.6
205.12164	2.9
207.13802	33.3
210.14839	5.3
213.16376	2.6
215.14307	2.9
217.12114	1.7
231.04903	5.1
231.13773	1.8
235.13275	3.2
255.17378	3.4
273.18506	23.3
291.19482	9.2
297.25452	2.3
314.27881	3.9
337.21088	1.6
342.27234	2.3
392.21585	2.0
406.11121	5.1
406.16098	1.4
424.31622	4.7
452.31302	2.1
453.24478	4.2
455.19098	18.7
477.24524	8.0
495.25827	11.2
521.23566	43.9
521.40143	2.4
539.24445	55.9
539.41547	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	536.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89123	10.7
55.05497	29.6
57.03446	54.2
64.49518	10.4
66.47837	10.7
67.05505	59.6
69.07059	19.7
79.05502	68.8
81.07063	50.7
83.08624	24.0
87.92969	11.1
91.05417	18.4
92.56409	11.8
92.62074	10.4
93.07036	94.4
95.08621	50.8
97.10161	14.9
98.20824	32.9
98.21497	25.6
100.63210	9.7
107.08598	30.7
109.10108	13.9
113.76280	12.8
121.10132	66.4
131.08528	14.0
133.10069	14.0
137.09380	9.2
139.11183	13.6
167.05563	25.3
167.10739	15.9
193.44255	11.1
241.14368	100.0
241.49113	9.9
261.22266	14.6
299.06076	54.9
335.25754	60.4
501.35910	21.0
536.27222	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	538.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85711	0.8
53.03933	1.0
59.21383	0.8
62.80683	1.0
65.03927	1.1
69.03415	1.7
69.07061	1.3
69.88301	4.2
70.06593	7.5
71.06921	1.0
71.57286	0.8
72.08150	1.1
76.02198	1.1
79.05483	1.8
81.03407	1.9
84.08150	2.2
85.02909	3.7
86.09701	5.3
87.33884	0.9
91.05464	5.7
93.07047	1.7
94.04198	3.2
95.05002	1.3
97.02876	2.2
98.16071	1.0
103.05482	1.9
105.07034	6.4
107.04961	1.3
115.05451	1.3
117.07024	1.9
119.04945	0.9
119.08592	3.9
120.08109	2.8
121.06522	3.6
122.03645	5.3
129.10249	1.3
131.04935	1.4
131.08592	1.1
132.05727	1.1
133.06506	3.7
133.10158	1.2
136.07646	1.1
137.05981	100.0
143.06015	0.9
145.06476	2.5
147.04401	2.6
147.08026	1.5
149.05983	4.0
151.03851	1.1
159.08040	1.7
160.05209	2.0
161.05968	15.9
162.06718	1.6
163.07524	1.4
164.07162	0.9
175.07545	23.4
175.14781	2.8
177.09155	1.3
179.06966	1.0
187.07494	6.4
190.07759	1.3
191.08513	5.1
193.08635	5.0
199.07550	1.8
202.07936	1.3
203.08528	2.2
205.06699	0.9
205.08618	3.0
208.08807	1.0
217.08525	1.7
217.93733	0.9
219.08075	6.6
220.08839	1.3
231.08073	2.1
235.07570	2.4
236.08354	2.6
236.80576	0.9
247.07568	3.6
247.09900	1.0
251.10651	12.4
251.12955	1.3
253.08740	1.1
259.07553	1.8
263.10605	1.0
264.07922	1.4
267.15646	1.4
279.10233	6.9
279.13126	1.5
291.10159	3.5
292.10947	1.3
296.10431	1.6
309.11169	1.1
309.95502	1.0
311.12769	25.5
323.12750	8.6
323.16354	1.3
329.13904	4.0
341.10175	1.8
341.13861	6.7
346.04877	1.4
358.19821	1.0
364.05954	1.2
391.25418	1.1
409.26425	1.2
439.28665	1.1
457.30466	1.6
475.31329	12.3
515.12360	1.5
538.23853	1.5
538.30981	12.3
546.44250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99287	1.7
55.01871	2.0
55.05513	3.2
56.05013	2.0
58.02942	1.7
60.04508	1.8
61.01149	2.1
61.02923	2.8
65.71723	1.6
66.42442	1.6
67.05498	2.0
68.37305	1.6
69.03430	2.0
69.07063	2.8
70.06589	22.5
71.58080	1.6
72.08154	2.7
79.05484	2.8
81.03398	3.7
81.07062	3.1
82.06595	1.7
84.04510	8.5
84.08119	7.8
85.02901	9.8
86.09706	14.0
89.26591	1.8
91.05443	3.0
97.02908	1.9
100.11256	10.6
101.19704	1.4
102.05556	2.6
103.05447	2.9
104.05302	1.8
105.07014	1.9
106.06533	3.9
106.49332	1.4
107.04947	2.5
108.08106	3.9
110.07169	4.7
111.04446	2.9
115.05445	5.7
116.07081	2.3
117.07037	1.9
120.08096	5.5
122.03610	2.1
124.07603	2.1
126.05494	3.3
127.03913	3.2
129.06976	4.6
129.10271	3.4
131.04903	5.8
133.10103	1.7
134.06013	2.9
136.07559	4.3
137.05980	77.0
143.04926	8.9
145.04904	2.7
145.06477	2.5
152.07040	6.0
153.05470	3.1
157.06453	4.9
159.09215	4.4
160.05182	12.6
161.06038	3.2
163.07465	3.4
170.08177	4.4
175.07552	100.0
180.08719	1.9
182.15402	3.6
183.14940	2.5
187.07541	32.9
189.09090	9.9
205.08577	19.5
209.16460	2.9
210.14841	3.6
211.07579	2.4
211.14540	3.0
217.08638	4.5
231.08109	2.2
235.09680	15.3
261.14508	1.6
263.10706	2.2
270.08868	2.4
271.09628	2.2
290.08597	2.4
291.10123	5.9
323.12778	6.3
341.13742	5.9
423.28918	2.9
431.83871	1.7
520.21667	2.9
538.16132	3.4
538.22876	6.6
538.42737	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	536.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	12.8
55.05513	34.5
57.03434	52.3
61.02916	10.6
62.96979	5.3
67.05514	57.9
69.03432	16.5
69.07066	36.4
69.96394	28.4
70.06595	12.1
71.04985	6.2
72.08142	9.9
79.05494	100.0
81.03415	26.3
81.07060	76.1
83.04968	10.1
83.08625	16.1
85.02898	12.8
91.05415	53.6
93.07043	70.8
95.04952	12.4
95.08602	46.2
97.02913	11.2
97.06526	16.0
97.10161	9.6
98.20905	10.1
99.08124	6.1
100.90977	6.5
103.03960	17.1
105.07027	38.5
107.04967	20.8
107.08590	47.0
109.06530	13.6
109.10152	10.7
117.06992	28.6
119.08582	41.9
120.08111	9.1
121.10133	68.8
123.08101	7.2
125.09650	21.2
127.07458	7.8
129.07004	13.5
130.06523	18.1
131.08603	38.5
133.10121	17.0
135.08057	39.2
137.09645	11.0
139.11165	11.5
143.06998	6.2
143.08574	11.9
145.05066	9.4
145.10133	34.3
147.11752	8.3
149.09616	65.6
153.09140	6.3
157.10075	6.0
159.08110	11.1
159.11705	14.0
163.11212	7.4
164.07150	6.2
165.09030	7.1
167.05586	16.3
167.10666	13.0
169.10078	11.5
173.13345	7.8
183.05484	21.0
183.11591	7.5
187.11172	10.8
187.14899	13.4
193.05067	6.9
201.11305	12.0
201.16397	11.8
211.14864	14.0
223.13374	6.8
227.12732	69.1
229.15891	24.4
239.09621	7.1
241.14394	92.8
243.07661	14.1
247.17035	31.9
283.03119	6.5
285.12238	10.2
297.12387	6.2
299.06085	40.6
321.20581	94.3
339.21677	63.2
344.97641	9.8
415.03870	8.7
426.22516	14.4
492.21185	9.6
536.31647	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58612	7.8
55.05510	23.8
57.03434	17.0
58.36794	7.4
67.05507	91.0
69.07067	18.2
69.57970	56.9
76.36562	7.5
77.03955	6.7
77.55814	7.3
79.05490	64.9
81.07053	70.1
83.08611	23.2
91.05482	26.9
93.06519	14.4
93.07047	90.6
95.04958	8.2
95.08605	29.6
98.20694	8.9
98.21247	29.1
105.07043	15.6
107.08578	39.4
109.10143	17.3
116.87228	8.5
121.10140	42.6
131.08531	17.4
133.10132	9.0
135.11682	13.7
149.13269	22.6
159.11617	10.2
167.05536	17.5
195.13849	10.2
215.17943	19.9
228.22766	7.7
233.18880	8.5
269.17502	50.9
283.03116	10.1
299.06326	42.6
307.22662	90.6
420.59637	10.1
449.66666	9.7
501.35699	100.0
536.27112	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	536.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
53.49300	1.4
55.05494	6.2
57.03407	1.4
58.99585	17.4
67.05499	5.7
67.87830	1.4
69.03405	1.7
69.07081	1.5
70.06574	3.6
71.04972	1.8
71.15337	3.0
72.08155	2.7
76.02226	100.0
76.03986	3.0
79.05495	7.0
81.03416	25.1
81.07056	10.1
83.04987	7.0
83.08630	7.3
84.04023	2.4
84.04501	27.6
86.09695	3.0
86.99038	4.6
87.04435	1.3
88.02200	2.4
90.78399	1.3
91.05448	8.2
93.07039	3.9
95.04972	7.5
95.08597	1.7
97.01034	1.4
97.06509	6.0
97.10145	1.4
105.07033	6.5
107.04961	2.3
107.08598	1.5
111.08064	3.4
114.03729	2.4
116.00884	1.8
116.01678	23.0
119.08554	5.0
121.10152	2.6
127.02079	1.5
129.06990	2.8
130.05000	13.6
131.08580	3.9
133.10110	3.0
142.03242	14.5
144.01138	13.9
145.10110	1.9
147.11723	4.4
149.09613	3.5
151.03905	1.9
157.10059	4.2
162.02194	44.6
165.12744	1.4
170.02675	2.0
175.11172	3.9
177.03363	2.7
179.04854	91.3
187.05351	2.9
193.12233	14.7
211.13295	27.4
215.04948	3.4
225.09511	1.8
231.04308	2.6
233.05919	22.8
243.10553	1.8
245.05908	5.5
258.01974	1.4
286.14697	2.1
290.08368	1.9
291.06592	2.7
308.09097	94.2
389.17426	17.6
518.21100	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	536.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.3
55.05508	25.9
57.03438	62.0
61.02927	11.3
65.03943	7.3
65.60669	6.9
67.05511	43.3
69.03431	11.1
69.07077	36.2
70.06593	19.7
71.57374	8.4
73.04729	7.9
79.05500	100.0
81.03426	24.2
81.07058	65.7
83.04958	16.7
83.08617	16.8
84.04510	14.3
85.02909	17.7
91.05404	53.3
93.07047	74.1
95.04951	18.1
95.08614	37.2
97.02887	16.5
97.06533	29.9
100.94438	8.7
103.03943	12.8
105.07044	48.4
107.08612	43.8
109.06501	9.4
109.10149	17.7
117.07021	28.5
119.08576	41.7
120.08147	12.2
121.10145	55.7
123.08077	16.9
125.09614	11.8
127.03944	11.2
129.05453	10.1
130.06516	19.0
131.08543	58.4
133.02766	9.7
133.10152	20.3
135.08052	25.3
135.11734	9.5
137.09593	18.3
139.11205	12.3
141.07025	17.3
143.08542	10.3
145.10083	34.6
147.11707	12.3
149.02344	57.2
149.09625	65.2
153.09068	9.6
157.10246	10.1
159.11652	12.0
167.05580	18.3
167.10655	11.5
169.10072	11.8
185.13280	10.4
187.14859	15.3
193.04959	58.7
201.16437	12.4
210.43570	7.1
211.14874	22.2
227.12801	53.8
229.15919	32.3
237.07558	40.8
241.14391	80.5
247.16946	31.6
265.07089	17.2
267.00043	8.5
299.06293	37.0
309.05954	16.6
321.20633	85.5
332.11938	8.4
339.21573	25.7
344.97672	10.7
349.17319	8.3
359.07663	17.5
385.09158	16.9
536.28882	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	535.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.8
54.67983	5.6
55.05517	36.9
57.03442	23.1
57.07069	6.4
62.29821	6.6
65.03954	7.5
67.00930	6.3
67.05505	96.0
69.07085	40.4
70.77128	18.8
71.04987	8.2
79.05492	87.1
81.03423	31.7
81.07061	100.0
83.05036	7.8
83.08612	36.7
91.05475	80.0
91.05904	6.8
93.07034	77.9
95.04987	17.2
95.08616	73.8
97.06536	19.9
97.10174	8.8
105.07047	54.1
107.08613	48.5
109.06551	13.5
109.10165	43.9
111.08076	14.2
113.37302	6.5
117.07033	22.3
119.08601	49.9
121.06537	9.1
121.10127	41.5
123.08131	11.0
123.11687	8.0
129.06979	15.6
131.08588	36.1
133.10146	43.5
135.08098	9.5
135.11681	31.3
137.09641	21.6
143.07066	7.1
143.08562	12.4
145.10124	32.1
147.11751	17.2
148.62572	6.4
149.09618	12.0
149.13272	8.8
155.08603	11.7
157.10126	12.7
159.11696	17.3
161.13245	18.0
163.11235	10.4
167.05591	9.6
169.10164	8.1
171.11780	21.9
173.13280	15.9
173.67770	6.7
175.09659	7.5
183.11717	9.3
185.13281	13.2
213.11301	7.2
239.12726	12.9
261.22202	7.5
262.72211	7.0
287.23605	7.4
289.21658	17.4
295.47772	7.4
295.94156	6.4
333.24182	6.3
335.25931	7.7
351.25232	7.0
363.25558	10.5
389.28241	8.2
407.29648	18.5
425.30511	21.3
443.31836	12.8
499.34396	34.4
517.35321	75.3
535.35968	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.8
57.07085	8.6
60.08155	12.1
62.32518	5.8
65.67273	6.6
66.20077	5.9
67.05508	76.4
69.03423	6.4
69.07071	26.1
70.32336	22.6
71.96644	5.8
75.65499	6.7
79.05473	28.0
81.07057	82.4
83.08606	14.9
86.09718	51.2
91.05487	23.3
93.07031	19.3
95.08617	74.1
97.06526	11.6
97.10166	8.2
98.20786	7.7
98.21326	11.8
100.11262	7.7
104.10748	100.0
105.07050	13.5
107.08594	18.0
109.10168	36.7
119.08558	7.6
121.10181	16.3
123.11723	19.7
125.00034	15.0
133.10110	15.5
135.11713	14.9
137.13275	11.3
147.11671	10.1
149.13248	9.8
161.13248	8.7
175.14859	14.2
184.07358	66.3
195.64491	6.5
242.13307	6.2
245.22668	55.3
263.23703	56.0
337.27405	46.5
417.43680	7.1
516.33960	10.3
534.28052	9.8
534.35254	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01863	0.5
56.05058	0.3
65.03947	2.2
66.99483	0.3
67.05503	1.7
69.03422	0.8
70.06573	1.9
71.49305	0.4
71.49648	0.5
72.08163	0.8
76.02216	0.4
77.03925	0.4
81.03418	0.4
81.07040	0.4
83.06103	0.4
84.04510	1.6
84.08132	1.4
85.02896	1.6
86.09694	1.2
93.03400	1.9
95.04974	1.0
97.02885	0.6
101.07156	0.4
103.05477	1.5
108.02106	2.5
109.02873	0.5
111.04450	3.5
120.08107	1.0
122.03641	0.7
123.04399	0.6
125.05997	4.2
127.03963	0.5
129.10245	0.4
130.05016	0.7
131.04922	4.6
137.05983	7.1
141.05472	2.6
143.04944	0.4
145.02843	0.8
149.05971	0.5
151.03909	100.0
151.04993	6.3
152.04257	0.8
153.05466	7.2
161.05965	0.8
163.07539	6.1
175.07440	0.9
176.04674	0.6
177.05536	0.8
179.04941	0.4
189.05441	0.7
191.07024	8.7
193.08504	0.3
203.06969	0.8
207.19997	0.3
211.09703	0.7
217.11635	0.3
219.06522	2.8
221.06148	0.4
225.09142	0.4
226.11884	0.4
231.06284	0.4
233.05937	0.5
253.08632	1.0
259.11200	0.6
265.08646	1.3
281.08163	1.0
282.08911	0.6
293.08044	0.5
297.11093	0.4
312.09821	0.9
313.10394	1.8
325.10568	0.6
343.11758	54.0
344.12085	1.1
355.11740	2.0
373.12817	6.3
373.17474	0.3
384.15457	0.3
407.41046	0.4
443.14920	0.5
505.17053	13.3
506.63757	0.4
535.18085	2.0
535.26019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	15.4
55.01864	8.4
55.05507	25.4
57.03430	14.7
57.07059	7.9
67.05225	6.7
67.05514	84.5
69.03439	31.4
69.07061	23.3
69.56959	34.8
71.04988	22.3
71.08642	6.6
73.60874	6.2
79.05495	100.0
79.05914	11.7
79.12650	5.1
80.05826	8.8
81.03432	47.8
81.07066	91.9
83.04971	14.5
83.08619	11.4
85.02901	23.4
85.06519	5.9
91.05491	77.8
92.05849	6.1
93.07055	99.8
93.61834	6.1
94.07377	9.2
95.04966	17.0
95.08611	57.0
97.02891	18.4
97.06535	12.5
97.10153	5.6
98.21000	20.7
99.08092	8.8
105.04541	7.5
105.07029	59.0
107.04992	7.8
107.08602	35.4
109.02892	16.3
109.06509	7.0
109.10167	26.2
111.04463	7.0
111.08105	11.5
117.06993	22.8
119.08586	51.0
121.06525	8.9
121.10139	36.9
123.11726	8.4
127.03886	9.5
128.06174	5.9
129.05623	8.0
129.07025	13.8
131.08583	29.8
133.10149	38.6
135.08063	7.5
135.11710	27.5
137.09604	9.8
141.07028	6.3
143.08562	7.1
145.10104	32.4
147.08107	8.4
147.11713	17.6
149.09592	10.8
149.13277	10.4
155.08522	9.9
157.10100	12.1
159.11682	25.1
161.13225	11.9
163.07564	9.1
163.11191	8.1
172.31766	7.0
173.09546	7.0
173.13322	13.4
177.12706	6.5
183.11662	8.5
185.13359	7.2
187.11198	7.3
187.14894	10.2
203.10504	6.8
213.16284	7.9
215.17946	21.5
219.17421	8.6
231.17406	7.5
233.18929	7.6
273.18433	6.8
275.20020	14.6
323.20035	7.1
340.33878	6.3
341.21039	17.1
359.22107	19.3
377.23148	20.0
402.30231	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	534.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36045	3.6
53.03953	4.0
55.01869	4.3
55.05510	22.9
57.03440	8.8
57.07067	10.4
59.65660	3.6
61.35897	3.5
67.05508	85.7
69.03431	14.2
69.07067	25.9
69.24152	18.4
69.24583	19.7
71.04991	4.3
71.08621	10.4
79.05481	34.4
81.03427	9.4
81.07057	100.0
83.04979	6.4
83.08594	17.9
85.02910	13.8
89.06026	12.9
91.05482	25.6
93.07053	40.6
94.67998	3.4
95.04981	4.3
95.08604	84.2
97.02879	5.5
97.06563	6.9
97.10163	7.9
98.20708	6.9
98.21394	12.6
99.04445	6.5
99.08104	7.0
104.10732	9.4
105.07027	17.0
107.08619	18.9
109.10160	35.7
111.08040	4.9
117.07018	4.2
119.08593	14.8
121.10138	21.7
122.88918	3.4
123.11695	13.4
127.03887	4.3
131.08580	8.7
133.08598	6.1
133.10158	16.3
133.18617	4.2
135.11717	12.3
137.13248	4.9
139.04008	3.9
145.05081	4.5
145.10172	9.2
147.11693	11.3
149.13260	13.5
151.11217	4.8
151.14810	5.8
153.12962	5.0
161.13260	10.3
163.11212	4.1
163.14857	9.6
165.16315	6.7
171.11618	3.7
175.14819	12.1
179.18002	5.3
184.07344	11.6
227.20039	38.4
234.26021	4.0
245.22667	41.9
263.23709	53.8
337.27399	18.2
353.24808	7.7
371.25919	13.6
389.26883	16.2
407.28012	14.4
425.29111	8.1
534.34656	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	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01893	0.8
55.05298	0.8
55.05516	7.3
57.03443	7.1
57.07071	2.9
60.08145	1.0
62.06087	0.9
62.99242	0.6
67.05513	11.8
68.05823	0.7
69.03393	0.8
69.06774	0.8
69.07078	9.4
69.28282	0.7
69.34264	6.7
71.04979	2.0
71.08627	8.2
77.78017	0.7
79.05502	8.3
80.99309	0.7
81.07060	21.7
82.07390	1.2
83.04987	1.7
83.08600	4.1
85.06543	1.3
86.09697	2.4
88.07631	0.9
88.51497	0.7
91.05494	5.0
93.07055	14.2
94.07363	1.0
95.04974	5.3
95.08043	1.4
95.08612	16.2
96.08939	1.0
97.06554	3.4
97.10158	1.5
98.98464	3.1
99.08104	5.5
104.10757	5.6
105.07048	5.4
107.08604	11.1
109.06523	20.0
109.10152	5.9
111.08070	1.0
117.07018	0.9
119.08619	5.5
121.10157	7.1
123.08069	5.3
123.11700	1.7
124.99991	1.3
129.06970	0.8
131.08559	2.1
133.10162	4.1
135.08047	1.0
135.11667	3.7
137.09615	1.3
137.13293	1.0
145.10150	2.2
147.11661	3.0
149.13275	3.0
153.12845	1.1
159.11656	1.6
161.13298	2.1
163.14842	1.6
165.12770	31.6
165.16429	0.8
167.14331	0.8
173.13239	0.9
179.14285	2.3
184.07291	4.4
187.14795	0.7
221.19022	3.3
228.85027	0.7
263.20139	3.7
277.21744	0.7
291.26721	0.9
293.21133	3.6
317.24609	1.0
319.26328	21.5
335.25592	0.9
337.27451	7.2
349.27390	11.0
357.27826	3.5
362.30331	1.2
363.28690	1.1
375.28943	12.3
376.29727	0.9
393.30014	100.0
394.30530	1.6
473.26672	1.0
491.27863	1.0
516.34192	1.3
526.33081	0.9
534.35522	1.4
545.65186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91080	4.0
53.03930	4.9
55.01857	12.9
55.05497	18.6
57.03412	12.3
67.05503	60.9
67.49017	5.0
69.03409	6.4
69.07063	15.4
70.98488	8.8
71.04976	8.1
79.05069	5.0
79.05497	72.2
81.07053	59.7
83.04967	4.2
83.08608	7.4
84.06374	4.2
85.72432	4.8
91.05489	41.1
93.07044	63.3
95.04970	10.8
95.08598	41.0
97.02851	4.8
97.06569	6.5
97.10136	4.2
99.04435	12.0
103.31980	4.8
105.07022	20.6
107.04929	19.3
107.08589	71.2
108.35901	4.3
109.10132	19.6
117.07019	39.8
119.08569	14.2
121.06499	10.8
121.10185	22.4
123.11694	5.3
125.57694	4.7
131.08580	16.9
133.10098	16.8
135.08060	65.2
135.11662	13.6
145.06516	8.4
145.10097	17.9
147.11691	8.7
149.13301	7.5
153.09106	11.0
159.11688	8.0
161.13206	6.4
163.07533	49.6
163.14926	5.0
173.13185	5.6
175.14786	4.6
181.08588	9.6
187.14789	8.1
199.09633	100.0
243.21135	8.9
255.12314	62.4
261.22137	41.3
335.25766	54.9
515.33673	27.4
533.25964	6.4
533.34296	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	533.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.01868	7.6
55.05509	35.6
55.98855	3.8
57.03448	18.1
57.07058	4.0
67.05168	5.6
67.05508	85.5
69.07068	28.6
71.04990	5.7
71.58193	3.4
71.58586	5.2
79.05496	90.7
81.03429	5.2
81.07054	100.0
83.05003	8.2
83.08613	15.6
85.06530	6.2
89.03908	4.8
91.05486	43.6
93.07042	78.3
95.04988	17.2
95.08611	93.0
97.06540	7.2
97.10175	10.9
98.20988	4.4
99.04469	3.5
99.08101	5.1
105.04489	4.0
105.07030	36.6
107.04963	13.6
107.08597	57.5
109.06512	9.3
109.10172	26.4
111.08070	6.3
117.03391	16.6
117.07039	19.2
119.08573	31.9
121.06520	10.5
121.10159	39.8
123.08077	15.7
123.11721	9.3
125.09592	6.3
129.07069	5.4
131.08591	18.2
133.06502	4.5
133.10107	20.4
135.08083	10.7
135.11699	48.1
136.06213	21.8
137.06638	3.7
137.09595	4.6
143.08630	7.9
145.02864	35.6
145.10107	32.9
147.08066	5.0
147.11702	12.4
149.06023	5.3
149.09660	5.0
149.13261	15.3
149.64990	4.1
151.07663	4.5
157.10170	8.1
159.11691	13.8
163.07600	4.7
163.11194	43.8
169.10175	4.7
169.34995	3.8
171.11664	8.6
173.13263	6.8
176.99289	3.7
177.05479	97.2
177.12776	4.2
181.08688	5.2
181.10229	4.3
181.12257	10.8
186.05595	4.2
187.14867	5.0
195.00330	5.5
199.09703	4.8
201.11223	8.3
205.19443	4.4
213.35213	3.3
215.17996	14.4
227.12785	72.5
233.19014	18.3
255.12402	4.0
255.20946	3.3
261.22189	5.4
273.22110	7.4
283.15417	27.2
289.21658	10.3
299.19785	4.1
307.22690	70.0
315.23285	10.5
317.21011	4.1
373.23654	6.5
405.27643	7.8
423.28790	5.9
441.29990	10.2
497.32391	14.2
515.33649	54.3
533.27539	7.9
533.34442	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39987	0.4
53.56870	0.4
55.05511	3.7
56.05040	0.6
57.05818	0.6
61.02923	0.6
69.07067	4.2
70.06591	7.1
70.24987	0.7
70.25378	0.9
72.08156	41.3
74.61308	0.4
79.05504	0.5
81.07031	0.5
84.04494	1.4
84.08154	2.5
85.02931	0.5
85.38789	0.5
86.09707	100.0
87.05618	0.7
87.10017	0.8
88.03987	0.4
88.21007	0.4
91.05537	0.6
95.08569	0.4
97.02891	1.1
98.21020	0.6
102.05581	0.4
110.07214	0.7
114.09183	0.6
120.08073	0.7
129.10239	1.2
130.04970	0.5
130.06569	3.1
131.06862	1.7
131.08437	0.4
134.04553	0.5
135.11798	0.6
136.07648	0.5
145.07603	0.6
152.07100	0.5
155.11868	0.6
157.07655	0.6
157.13368	18.7
162.03783	1.2
163.11218	0.6
169.13345	0.6
177.05438	0.7
181.12244	0.6
183.11282	0.6
185.12874	22.0
185.16487	34.2
192.04793	0.9
197.12831	0.9
205.12358	0.5
213.15988	27.6
223.13303	2.1
229.09169	0.5
247.12881	6.2
261.14307	0.5
275.65640	0.4
283.15320	0.8
284.19690	28.7
286.17773	0.8
297.15771	0.5
298.21268	1.0
301.16568	0.5
308.09573	0.5
318.16629	6.1
342.17737	0.7
352.25882	0.5
369.28571	3.9
397.28113	3.2
402.15503	0.6
503.54651	0.4
530.16742	1.4
530.32135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.8
55.01864	12.1
55.05518	37.9
57.03427	15.7
57.70212	3.7
59.82601	4.1
67.05176	6.0
67.05511	100.0
69.07067	18.4
71.04996	5.7
71.57607	3.9
73.02911	6.5
74.06618	3.7
76.03930	4.0
79.05505	43.9
81.03423	15.4
81.07057	90.5
83.04948	13.0
83.08624	15.7
83.25777	4.1
85.02895	11.4
87.04453	6.2
91.05502	30.1
93.07054	43.6
95.04975	9.2
95.08640	27.6
97.06534	11.4
97.10159	14.3
103.13503	4.5
105.07018	13.3
107.08602	32.6
109.06452	5.0
109.10173	45.4
111.08109	6.6
116.69935	4.9
117.07025	12.0
117.93980	3.7
119.08575	7.5
121.10133	10.4
123.11651	6.5
125.09642	21.1
129.05580	5.3
131.08568	10.0
133.10127	15.1
135.11697	15.4
136.06192	11.4
149.13297	16.2
159.11699	6.4
163.11195	9.8
173.11725	16.7
195.00333	5.5
195.13808	13.8
199.13257	11.4
209.11719	6.7
223.11008	4.5
227.12759	7.5
229.14365	38.8
248.02551	4.6
269.17535	48.6
275.48492	4.2
301.16400	12.6
408.71133	4.4
423.27057	11.7
485.87411	4.6
495.29224	12.5
513.30688	13.4
530.38794	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	529.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20100	0.9
53.05719	0.7
55.05503	2.1
57.07069	2.6
57.60020	1.0
64.50120	0.9
67.05501	7.7
69.07053	1.8
69.34173	1.6
69.34574	7.0
70.06582	2.7
70.42737	0.8
79.05499	4.7
81.07060	6.6
83.08603	1.3
87.04433	1.5
88.07603	0.9
89.06041	1.2
91.05481	2.4
93.07037	4.3
95.08604	3.9
98.21301	3.8
105.07041	0.9
107.08584	2.2
109.10161	2.0
119.08598	0.9
121.10071	1.7
131.08597	1.7
135.11768	1.3
139.30766	0.9
145.10219	1.3
149.13277	1.2
195.09941	11.1
200.20093	1.0
251.12639	1.9
256.50253	1.0
283.26224	1.1
284.26566	1.3
312.29950	1.0
331.12524	0.9
335.25739	2.6
357.23907	1.2
519.70898	1.0
528.49609	2.5
529.34918	100.0
529.49207	9.3
530.35388	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.05513	27.2
57.03432	12.6
57.07077	4.7
65.03947	5.0
65.66501	3.6
67.05161	7.2
67.05502	98.5
69.07073	23.8
71.01355	5.0
71.18884	8.8
79.05491	55.6
81.03423	5.7
81.07057	100.0
83.04973	6.9
83.08620	13.0
85.02903	9.6
89.06019	4.7
91.05473	43.0
93.07040	63.5
95.01334	7.3
95.04965	10.5
95.08609	77.8
97.06583	5.5
97.10171	6.2
105.07008	23.5
107.04974	3.9
107.08593	45.3
107.37199	3.5
109.10164	33.1
113.02377	4.1
116.56237	3.8
117.07032	14.5
119.08584	30.8
121.10153	34.2
123.08086	4.2
123.11723	18.5
129.05527	4.5
129.07022	4.6
131.08560	29.8
133.10172	21.6
135.11714	27.3
137.13278	8.5
141.01802	9.8
143.08522	4.9
145.10112	19.9
147.08057	4.1
147.11693	13.8
149.13260	24.9
155.08652	4.2
157.10144	9.6
159.11687	24.6
161.13254	13.9
163.14807	9.9
165.12744	3.6
169.10201	6.4
171.11719	10.1
172.21899	3.9
173.13269	20.8
176.99286	8.6
181.10069	6.4
183.11694	4.1
185.13255	8.3
187.14865	6.5
193.12129	3.7
195.00320	99.9
197.13301	5.4
213.00159	5.8
243.21048	16.0
261.22168	68.0
279.23236	6.5
335.25729	32.4
353.22861	5.7
353.26880	62.2
380.24445	4.6
437.30536	5.0
455.31873	5.3
511.34988	19.5
529.25104	41.3
529.32397	5.4
529.37720	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	529.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35089	1.3
59.23059	1.2
63.41419	1.1
70.06597	3.0
71.54432	2.3
74.02444	1.2
92.11319	1.1
115.05450	1.4
117.05785	2.8
117.07009	1.4
118.02276	1.2
118.06556	21.5
129.55978	1.6
130.06505	1.9
132.08116	6.0
136.06194	1.2
142.06580	2.1
143.07339	1.9
144.08101	14.1
146.06023	61.2
159.09236	5.0
159.10638	1.0
170.06067	4.1
188.07086	100.0
205.09734	37.6
211.55536	1.2
249.23500	1.2
283.89682	1.4
529.17627	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
56.05029	0.5
57.05811	0.4
57.51006	0.2
69.07069	7.6
69.26633	0.8
69.27047	1.9
69.71095	0.3
70.06588	2.0
72.08157	1.2
74.02435	0.4
75.05607	1.4
81.03443	0.3
84.04549	0.3
84.08148	1.3
85.02911	0.3
86.06084	2.9
86.09710	100.0
87.05605	1.3
87.10046	0.7
88.03986	0.3
98.20885	1.2
99.27052	0.3
102.05519	0.3
103.28127	0.2
107.08685	0.3
110.07206	0.3
113.07140	0.3
114.05533	8.2
120.08179	0.6
129.10222	0.6
130.05043	0.4
130.06532	0.4
131.11644	0.3
133.06097	8.6
139.81592	0.3
142.64944	0.3
143.11804	7.7
145.02843	0.3
153.06638	0.4
171.07672	3.4
171.11337	0.8
174.96928	0.4
199.18042	0.5
229.11882	2.1
238.15518	0.8
246.14513	11.5
256.16577	14.1
284.16064	28.0
305.08237	0.4
323.09454	0.6
335.09241	0.3
369.24734	0.4
377.99631	0.4
383.00311	0.4
397.24542	2.8
529.28497	0.6
556.84491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48866	2.9
55.05521	18.9
57.03427	12.2
57.07063	13.3
59.04987	4.7
65.03950	4.4
66.28968	3.1
67.05169	5.0
67.05506	89.6
69.07066	27.8
69.58559	11.1
69.58976	10.5
71.04993	5.3
71.08627	4.4
71.93414	3.2
73.33730	3.5
79.05488	9.2
81.07061	29.3
83.08646	18.8
83.09084	4.5
85.10167	4.7
87.08849	3.3
89.06011	4.2
91.05489	8.0
93.07034	16.7
95.08598	19.1
97.10169	9.8
98.21463	6.3
104.53557	3.4
107.08575	10.5
107.15495	3.4
109.09461	5.0
109.10164	77.3
111.08084	3.9
117.67719	3.2
119.08553	6.6
121.10136	9.3
129.86621	3.2
135.11700	6.5
155.10686	5.1
156.01558	3.6
159.73595	3.3
173.11754	23.4
229.14368	100.0
265.25217	5.0
283.26263	7.9
339.28967	93.8
493.38867	57.2
528.49536	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	529.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	2.9
59.55612	1.8
61.80119	2.0
67.79117	2.1
71.56682	3.5
75.45687	2.1
78.95633	2.7
82.54176	1.9
88.99177	3.0
89.03931	2.5
94.93001	8.6
96.92789	2.2
98.29269	1.9
98.97604	3.9
99.40825	2.0
101.00869	5.3
115.02407	4.6
116.98625	2.5
117.03386	3.1
119.01933	21.1
120.94505	2.1
128.98647	3.2
131.01918	4.2
133.03487	40.5
135.04410	4.0
143.01907	5.7
145.03648	3.1
146.99657	9.0
147.04414	6.1
148.94067	9.8
151.04492	5.0
155.01884	8.7
161.02946	12.0
161.82446	2.3
163.02542	2.8
163.03897	51.9
165.00700	7.1
173.02966	51.6
178.88167	2.6
185.03011	3.4
189.00697	5.0
191.04022	22.0
192.93083	10.2
203.03922	4.7
207.01784	7.0
221.00876	3.6
221.02979	48.0
222.94110	8.1
232.92290	6.4
235.04585	2.4
236.97672	2.2
239.01993	2.3
239.04211	11.9
240.96649	9.7
245.03093	10.0
248.89719	2.5
251.06129	4.6
253.05644	4.2
256.96246	13.2
257.05164	8.2
263.03964	26.3
263.06351	3.1
267.03790	2.7
271.06686	4.3
278.94345	7.5
279.97787	1.9
281.05133	49.9
282.05005	2.3
293.05194	4.2
299.06277	9.9
305.07196	34.8
311.05994	8.0
321.05957	2.3
322.99500	2.1
323.06259	2.9
333.49814	2.0
349.06061	4.3
356.98276	2.5
363.05585	2.3
372.97299	3.7
381.06647	8.1
394.95621	16.8
395.08325	10.8
412.95432	4.4
413.09302	100.0
414.09247	3.2
431.09116	2.3
529.02368	12.0
549.51782	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55566	0.8
63.17389	1.0
67.05510	1.1
69.07068	11.8
70.02943	3.7
70.06592	6.4
70.26897	2.9
71.84292	0.9
72.08151	2.1
75.46604	0.9
79.05517	0.9
81.04510	1.3
82.02938	3.0
83.06092	1.2
84.04482	1.3
84.08137	2.6
86.09706	100.0
87.05589	3.7
96.08080	1.1
97.04015	4.0
97.06539	1.2
98.02403	3.8
98.20803	1.2
99.05566	3.1
109.04006	2.7
110.02424	2.7
110.07156	1.3
119.03506	1.6
124.05074	4.7
125.03504	5.2
126.06632	1.7
132.10222	2.3
135.01889	1.9
135.05479	2.3
136.06184	77.5
137.03473	1.1
137.04552	2.1
141.10239	1.1
142.06088	5.9
150.06657	2.5
151.05002	1.9
152.04550	11.9
153.02942	2.0
155.11761	2.2
160.05089	1.2
161.05972	3.0
163.03864	1.4
164.04558	1.6
166.08621	4.1
170.05614	5.2
173.06047	2.3
175.04019	1.6
177.10287	1.3
178.06107	3.5
179.05634	3.3
183.11301	1.4
187.07556	2.6
189.09113	2.0
193.09763	2.2
197.06715	1.5
200.13841	1.7
201.05560	1.0
204.04115	1.2
210.12311	2.0
215.06996	4.0
217.08704	1.2
218.13016	1.2
221.06644	1.7
222.05182	1.2
223.08051	1.2
225.06119	1.0
226.11848	2.3
228.13414	1.5
232.10936	1.4
238.09320	3.9
238.11852	5.4
245.18538	2.3
246.12366	3.5
247.11995	1.3
249.06174	3.7
249.13454	3.7
255.14514	3.7
255.17038	2.0
260.10327	1.6
263.15048	1.2
264.13214	1.0
266.08792	11.6
266.11389	9.7
267.07251	3.4
274.11929	1.5
283.14066	6.7
284.09930	5.5
289.12967	1.3
291.14441	5.6
306.15515	1.8
309.15521	4.0
317.12424	2.0
319.14133	5.8
334.15164	6.3
335.13440	1.8
336.16718	7.8
337.14856	2.1
345.11752	1.0
351.17142	8.2
352.16083	3.4
362.14606	2.5
369.18677	1.8
379.17184	20.0
380.16132	1.0
394.15109	11.7
397.20847	2.9
412.16364	1.4
442.97672	1.1
528.17242	25.9
528.24945	2.2
529.17535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03950	1.2
55.01872	0.7
55.05514	2.8
57.03429	1.2
57.07076	0.3
63.02390	0.3
65.03947	1.1
67.05508	11.2
69.07071	1.9
70.06475	1.0
71.05006	0.3
76.19678	0.2
77.03931	0.5
79.05495	13.1
81.03426	0.9
81.07060	9.4
83.04974	0.4
83.08611	1.3
85.06527	0.3
85.29550	0.2
89.03915	5.5
89.04467	0.3
91.05482	11.1
93.07047	11.0
95.04972	2.1
95.08601	5.1
97.06539	0.4
97.10174	0.4
98.21333	0.4
99.08105	0.2
103.05474	0.7
105.04546	0.6
105.07032	6.8
106.04117	0.3
107.04961	0.2
107.07873	0.3
107.08598	4.3
109.06519	0.6
109.10164	1.5
111.08104	0.2
115.05431	0.4
117.03382	13.6
117.07040	1.9
119.08586	3.5
121.10147	4.1
123.08089	0.4
125.09657	0.4
129.04402	0.2
129.07010	1.2
131.08554	2.8
133.10146	2.5
134.03638	1.2
135.04416	0.8
135.11714	2.0
137.06021	0.3
143.08566	0.8
145.02849	35.8
145.10110	1.2
147.11708	1.1
149.05977	4.5
149.07108	0.4
149.09584	0.3
149.13268	0.6
157.10094	0.5
159.11682	0.9
161.13193	0.4
162.03041	0.2
163.03909	0.7
169.10017	0.2
171.11667	0.4
173.13281	0.5
175.14938	0.5
177.05472	100.0
178.05853	0.4
185.13199	0.3
186.05537	1.9
193.12149	0.3
195.06543	0.9
199.14824	0.4
251.09195	1.8
259.20566	0.7
333.24405	1.1
430.74683	0.2
469.89670	0.2
527.29816	1.0
527.37152	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03951	1.8
55.01880	0.5
55.05510	4.2
57.03438	2.2
57.07111	0.3
57.10009	0.3
63.02386	0.6
65.03947	1.0
67.05506	13.7
69.07072	2.2
69.46360	2.2
77.03941	0.3
78.04709	0.4
79.05495	18.0
81.03423	2.7
81.07059	12.7
83.04980	0.9
83.08616	1.3
85.06555	0.5
89.03915	6.6
91.05483	14.7
93.07048	15.2
95.04970	3.9
95.08609	5.8
97.06538	0.7
97.10180	0.3
103.05471	1.1
105.04542	0.8
105.07033	8.0
107.04971	0.3
107.08601	5.8
109.06532	0.5
109.10179	1.7
117.03385	16.6
117.07032	2.5
119.08592	4.9
121.10146	5.7
123.08064	0.3
123.11699	0.3
125.09737	0.4
126.39169	0.3
129.06985	1.3
130.07784	0.2
131.08560	3.5
131.88986	0.3
133.10135	3.2
134.03632	1.2
135.04413	1.5
135.11714	2.6
136.06198	15.0
137.05962	0.6
142.07797	0.3
143.08553	1.2
145.02849	38.1
145.10110	1.9
146.03191	0.5
147.11703	2.2
147.72740	0.3
149.05980	5.2
149.09718	0.3
149.13277	1.2
157.10147	0.9
158.06013	0.5
159.11694	1.2
161.13182	0.5
162.03195	0.4
163.03896	0.6
163.14754	0.4
171.11745	0.7
173.13278	0.7
175.11194	0.4
175.14842	0.5
177.05472	100.0
178.05769	0.5
185.13324	0.5
186.05508	2.2
187.14825	0.4
193.12248	1.1
195.06416	0.5
198.97484	1.3
199.14772	0.3
239.03133	0.3
251.09171	1.6
259.20621	0.6
265.51682	0.3
333.24210	1.5
378.32431	0.3
444.12241	0.3
527.23547	0.5
527.29810	1.8
527.36993	3.3
528.31421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	15.9
57.03440	14.8
57.07063	4.1
59.04998	4.3
61.39598	1.3
65.03951	3.1
67.05507	100.0
69.07069	13.1
69.26817	8.5
69.27238	3.9
71.04993	3.0
71.08630	1.6
79.05487	7.7
81.07056	37.7
82.07433	1.4
83.08617	9.9
85.06550	2.0
87.33469	1.2
89.06038	21.9
91.05488	11.3
93.07044	10.8
95.08612	25.6
97.10177	4.2
98.20792	3.8
98.21455	2.6
99.08086	1.4
105.07043	3.8
107.08602	5.1
109.10158	74.2
111.08051	3.7
116.52281	1.4
119.08582	7.4
121.10139	5.4
123.11698	3.2
123.33208	1.4
125.09676	1.7
127.52819	1.5
133.08611	16.0
133.10135	3.0
135.11694	2.1
137.09558	3.0
137.13246	1.9
147.11642	2.7
149.13310	1.4
155.10703	3.8
161.13249	1.4
167.92293	1.4
173.11734	21.6
177.11227	5.1
227.12810	1.8
229.14359	95.1
245.22627	2.4
263.23709	3.6
287.56369	1.4
327.20160	10.8
337.27353	75.6
337.75403	1.4
338.27402	1.7
374.18558	1.5
381.31619	1.3
428.98737	1.4
460.72296	1.5
491.37372	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.1
57.03436	14.4
57.07070	2.6
59.05000	4.0
60.91825	1.5
65.03936	3.0
67.05509	100.0
69.07065	8.9
71.04999	4.6
71.20129	3.1
79.05500	20.0
81.07063	35.6
83.08610	8.1
85.06546	2.5
87.04432	1.5
91.05481	14.1
93.07047	26.6
95.04945	1.7
95.08612	27.9
97.10158	2.7
99.08143	1.9
103.43762	1.5
105.07048	8.6
107.08611	14.4
107.40670	1.4
109.10161	71.4
109.10915	3.6
111.08091	2.5
117.06994	1.9
119.08581	7.0
119.54739	1.5
121.10179	8.5
123.11714	3.5
131.08563	4.9
133.10124	4.2
135.11713	5.8
137.09668	1.9
145.10149	4.5
147.11700	2.7
149.13298	4.4
155.10670	6.7
159.11694	4.0
163.14810	3.0
173.11784	18.1
173.13205	3.0
187.14886	2.4
192.32918	1.5
194.37717	1.8
229.14359	71.6
243.21162	2.1
261.22101	12.1
335.25815	68.2
489.35831	37.6
497.35156	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	30.7
59.12058	24.7
67.05491	100.0
79.05495	27.7
80.78242	20.9
81.07040	44.4
87.04468	36.5
91.05494	34.2
93.07030	79.0
95.08595	63.8
109.10169	57.3
111.89938	22.9
120.30314	25.0
121.10123	27.3
121.65305	21.6
135.11658	28.0
137.09645	46.5
229.33942	28.3
335.25705	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82626	1.5
54.67157	1.5
56.96560	2.1
62.15146	1.8
70.36451	3.4
70.36840	5.4
70.48798	1.5
80.43375	1.7
87.65688	1.6
89.03905	6.3
98.97622	2.0
101.00870	3.9
107.04944	1.9
117.03376	8.5
119.01929	12.4
131.01920	8.9
133.03511	8.1
135.04439	16.3
143.01926	2.1
145.02769	10.9
147.04391	5.5
149.02939	6.3
152.54494	2.0
155.01891	5.5
161.02904	3.2
163.03908	93.2
171.01378	6.2
173.02956	18.0
174.88681	4.4
185.00844	2.7
185.03036	2.9
187.00824	2.9
189.02425	10.2
199.00899	9.0
201.02344	2.4
203.01898	4.4
203.04059	3.2
207.03462	2.2
217.01950	8.7
217.03772	1.9
219.03615	2.0
221.02959	100.0
222.03133	3.3
229.01947	3.5
231.03506	1.8
233.05179	1.8
235.04538	4.5
235.14473	1.9
239.02113	4.1
239.04184	16.7
244.04613	1.8
245.02982	6.4
247.04530	7.7
257.03113	3.8
263.04041	12.8
264.04361	1.9
275.04001	5.1
281.05106	26.5
289.02002	2.6
291.03354	2.7
293.05005	6.1
299.06244	4.3
301.04187	2.9
303.01990	5.0
309.04495	2.8
311.06113	10.3
319.02762	19.5
325.03900	1.8
331.02786	1.8
337.03986	2.3
351.05496	6.2
355.05310	1.9
357.37488	1.6
367.04828	6.2
384.38477	2.0
384.43436	2.0
385.06052	2.9
391.05008	1.9
398.08948	2.1
409.06064	7.1
427.07062	10.4
437.98566	1.9
487.69754	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3713
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.47110	0.3
56.05030	1.5
57.03435	0.5
57.07076	2.5
58.06343	0.3
58.06604	1.5
59.07378	0.4
60.08165	17.1
67.05499	0.8
68.16370	0.3
69.07070	0.5
69.29751	2.1
69.30162	1.0
71.07378	7.8
71.08630	1.4
74.06198	0.3
81.07055	0.7
83.08610	0.4
85.10164	0.4
86.09708	51.9
92.33507	0.3
95.08613	1.3
98.98476	3.6
104.10747	98.8
105.11130	0.3
119.08624	0.4
125.00007	28.3
143.01041	0.6
151.07544	0.4
163.01540	0.9
184.07346	100.0
185.07672	0.5
200.68356	0.3
258.11069	1.0
341.30515	1.4
506.36099	9.6
524.37134	27.6
525.37140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	48.9
67.05503	100.0
69.07073	48.7
69.39880	74.5
69.40305	83.3
73.84950	18.3
79.05495	72.4
81.07051	94.0
83.08608	22.5
90.34836	21.8
91.05479	38.7
93.07052	64.6
95.08588	56.2
97.10204	26.1
98.20739	36.7
98.21326	71.7
105.07015	53.5
107.08633	36.1
109.10179	51.1
117.07043	22.0
119.08558	46.3
121.10155	39.8
131.08521	20.6
133.10094	34.6
147.11710	28.5
164.22595	18.6
239.16451	32.6
307.22617	61.1
353.96939	24.7
375.79871	20.6
411.46252	25.2
471.34531	22.5
489.36066	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	524.2854
Annotation	Neoverataline B
Peak:m/z	Relative Intensity
53.03933	3.1
55.01868	3.7
55.05516	32.0
57.03417	1.6
67.05508	17.0
69.03449	3.0
69.07057	4.9
69.84134	10.9
78.51725	1.6
79.05503	16.4
80.05019	2.3
81.07059	17.7
82.63539	2.2
83.04956	4.0
83.08627	16.7
91.05459	7.9
93.07028	6.0
93.56880	1.8
94.06573	13.5
95.04979	2.3
95.08607	18.5
96.08112	2.6
97.06548	2.1
97.10174	33.0
98.20784	2.0
98.21339	4.2
103.05452	2.4
105.07034	5.2
106.06538	6.6
107.07330	5.6
107.08633	9.0
108.08121	2.9
109.06541	2.7
109.10120	2.9
117.07008	3.9
118.06535	6.2
119.08588	2.1
120.04420	2.2
120.08122	4.2
123.06847	2.0
123.08032	4.3
124.07571	8.0
124.98032	2.0
125.09622	16.6
129.06993	3.7
130.06528	19.2
132.08083	9.3
134.06017	3.5
135.08025	2.1
138.05504	8.0
140.07047	5.8
144.08093	4.5
145.10037	2.2
146.06026	2.7
150.05505	2.3
151.06294	9.7
152.07072	60.0
155.08517	2.8
159.11775	3.2
160.11104	2.2
164.07068	2.1
166.04947	3.3
169.10063	2.3
172.11269	2.1
176.07008	2.8
178.08643	9.2
180.06523	4.3
185.11864	2.8
186.12791	3.3
188.14299	3.2
189.11240	4.2
189.59193	1.8
190.08771	2.1
192.10152	4.3
197.11928	2.3
198.12781	6.3
200.14410	3.5
202.12251	2.3
214.12248	2.7
216.10277	2.0
216.13866	14.9
218.11752	3.0
218.15413	1.8
230.15425	3.0
232.13319	2.2
234.14900	15.0
242.11760	4.1
243.12514	3.4
244.13364	32.4
246.14793	3.9
255.97359	1.9
258.14847	8.8
260.12784	5.6
262.14389	19.9
262.65088	2.0
264.15866	4.5
276.15897	9.7
280.15414	4.4
304.15482	3.5
322.16449	12.1
322.21918	2.1
336.18146	2.6
340.22766	4.0
350.21014	3.9
354.18912	3.5
358.23563	3.5
368.22186	19.2
386.23276	25.5
396.21750	10.4
404.24390	23.9
414.22733	100.0
415.22787	2.3
432.23792	21.7
450.24753	17.8
460.26913	5.4
470.25031	2.2
473.72708	2.1
478.28024	6.1
488.26398	13.1
506.27530	48.5
524.28754	89.7
525.27850	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	523.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22105	0.5
55.05505	0.7
58.28627	0.5
61.64475	0.5
67.05516	0.6
70.06590	0.8
71.57953	0.7
79.05482	1.0
81.07058	1.1
83.08616	0.7
85.02910	0.7
88.59973	0.5
91.05467	1.1
92.24909	0.5
105.07033	1.1
109.10108	0.8
119.08573	0.9
130.06549	1.7
145.10158	1.7
157.10210	0.6
173.13217	0.5
187.14755	0.8
203.05293	1.1
257.18997	1.0
259.08084	1.9
275.19852	0.7
331.09692	0.9
361.20016	2.2
523.25171	100.0
524.25867	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.5
69.07056	0.9
70.02940	1.7
70.06592	4.8
70.98836	0.5
72.08157	1.6
72.73569	0.5
73.02917	0.7
74.02434	2.6
74.76485	0.5
84.04506	1.6
84.08141	1.5
85.04035	0.5
86.09706	100.0
87.05595	7.8
88.04006	2.6
91.05482	15.1
97.02872	0.7
98.20798	1.5
98.21489	1.7
100.03972	0.9
107.04971	1.6
110.07154	0.7
116.03451	1.8
116.07083	0.6
119.04943	12.2
120.08118	1.3
121.06528	1.2
129.10254	0.6
133.06088	29.8
136.07578	95.2
137.26118	0.5
138.09152	1.0
141.10217	1.6
145.02829	0.6
146.06017	1.6
147.04416	2.5
156.10207	1.5
160.07616	1.1
162.09123	1.4
164.07089	1.1
177.05498	1.5
183.11264	1.3
183.15039	0.7
184.09659	1.0
188.07115	1.8
201.12354	10.1
206.08115	1.3
207.11305	3.1
211.10933	0.5
218.92276	0.6
229.11888	8.8
229.14137	0.9
233.09201	13.7
239.10249	0.6
246.14508	27.8
251.10258	10.4
279.09760	35.1
305.51559	0.7
346.17627	2.5
361.17160	1.5
364.18576	1.8
369.25137	0.6
392.13910	0.7
392.18152	7.2
392.66190	0.6
417.21262	0.7
524.23206	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01855	0.3
55.05482	0.3
56.79271	0.2
57.42422	0.2
57.78666	0.2
69.03413	0.3
69.61388	1.2
70.06590	0.4
77.03961	0.2
79.05506	0.3
81.03426	0.3
81.07037	0.4
82.92268	0.2
85.02911	1.6
87.00844	0.3
91.05492	0.3
92.52815	0.2
93.07028	0.5
95.04964	0.3
95.08606	0.3
98.21472	0.4
103.05478	1.4
105.07038	0.5
107.08604	0.2
113.81050	0.2
118.06562	0.7
119.08559	0.4
128.04962	0.3
130.06531	100.0
131.06870	0.9
131.08536	0.3
143.07307	0.9
143.08572	0.3
144.04424	0.3
144.08096	2.5
146.06027	0.4
156.08075	0.6
157.10144	0.2
158.06026	1.2
160.07568	0.3
168.08105	0.6
170.06026	0.8
170.09714	0.3
172.07574	0.8
180.08150	0.2
181.79532	0.2
182.09724	0.3
184.07573	1.0
196.07588	0.4
198.09157	1.2
208.07605	0.4
210.09172	0.4
226.08672	2.3
233.44321	0.2
244.09721	1.0
250.18687	0.2
250.54477	0.3
273.79993	0.2
275.17276	0.2
275.20081	0.3
330.09726	6.2
348.10727	3.5
360.10690	1.1
376.10095	0.4
394.11316	1.5
406.11279	1.6
440.95093	0.2
523.24536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46638	0.2
50.69433	0.2
53.74795	0.2
55.05525	0.4
56.05036	0.9
58.06346	0.3
58.06620	0.5
60.07871	0.4
60.08165	6.0
69.07084	0.3
69.17270	0.2
70.01463	0.9
71.07370	2.5
78.34482	0.2
83.08631	0.2
84.22523	0.2
86.09707	30.9
95.08638	0.2
97.10174	0.2
98.21078	0.5
98.98457	3.1
104.10739	3.2
125.00008	22.8
126.40528	0.2
132.95869	0.2
184.07344	100.0
185.07635	0.5
273.50348	0.2
346.93848	0.3
377.24667	0.2
504.34088	0.7
522.35876	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48878	0.2
51.02365	0.3
53.03936	0.4
53.67367	0.2
55.05499	1.1
55.98529	0.2
57.07060	0.2
67.05495	1.1
69.03442	0.3
69.07066	0.4
70.06583	0.6
70.88139	0.2
70.97939	0.5
79.05494	0.4
81.03413	0.4
81.07064	1.0
83.08614	0.5
84.04463	0.3
84.08137	0.3
85.02899	0.8
87.00851	0.3
88.04002	0.3
91.05488	0.5
91.72459	0.2
93.07038	0.5
95.04974	0.5
95.08607	4.1
95.52127	0.3
99.04485	0.2
100.11246	1.2
103.05432	1.3
105.01884	0.3
105.07039	0.6
107.08603	0.4
109.10171	0.3
119.08601	0.4
121.10117	0.3
127.03943	0.4
128.04979	0.3
130.06532	100.0
131.06873	0.7
131.08554	0.3
132.08119	0.3
133.18126	0.3
135.27634	0.2
142.06473	0.4
143.07314	1.1
144.08081	3.4
144.09106	0.4
156.08084	0.3
163.14766	0.2
164.07045	0.3
167.07315	0.3
168.08115	0.3
168.17487	0.4
169.17902	0.6
170.06076	0.6
172.07541	0.4
182.15475	0.5
184.07603	0.6
209.16586	0.3
214.08725	0.2
238.08545	0.4
256.09586	0.4
257.19083	0.4
260.12628	0.5
277.11856	0.3
360.10873	2.0
395.34802	0.3
406.11261	3.2
504.39478	0.3
522.41040	2.0
523.24915	1.3
523.41144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77390	6.0
55.05505	15.9
57.03449	8.5
57.15118	5.7
61.02916	6.6
62.99387	5.4
63.52198	5.5
67.05501	17.6
69.03415	13.7
69.07059	21.6
70.06591	14.8
71.04984	13.0
71.58054	9.6
72.08143	7.8
79.05508	30.3
81.03407	13.4
81.07059	90.1
83.08620	8.6
84.04502	8.6
84.08095	7.7
85.02909	17.4
86.09692	10.3
87.00836	7.3
91.05481	16.3
93.07049	48.1
95.08612	27.2
97.02883	7.8
99.08026	5.9
103.05508	7.2
105.01881	19.2
105.07035	44.3
107.08597	41.6
109.10157	30.7
117.06987	9.9
119.08590	67.4
121.33815	6.8
123.11719	18.5
125.09626	7.4
127.11191	24.1
127.28726	6.8
130.06540	11.4
133.10152	37.0
135.11684	100.0
143.10684	10.0
147.11693	26.4
161.13219	13.2
196.72408	6.2
203.17940	74.0
221.19005	55.0
224.47545	6.1
406.20215	19.7
504.25650	6.9
522.20190	12.3
522.27557	14.4
523.29865	10.6
543.10999	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.51176	0.4
55.05518	1.8
56.05033	1.2
57.07046	0.5
58.06601	1.6
58.62617	0.3
59.07383	0.4
59.87101	0.4
60.08165	16.6
60.08472	0.8
67.05494	1.2
69.07057	2.3
70.42685	0.3
71.02740	1.0
71.07368	6.8
81.07059	1.4
83.08604	1.3
86.09708	51.8
93.07032	0.6
95.08602	1.3
96.07001	0.4
97.10181	0.5
98.98482	4.6
104.10748	100.0
109.10153	0.4
121.10111	0.4
125.00010	29.9
163.01573	1.0
184.07347	94.4
185.07625	0.5
197.52267	0.4
218.55504	0.3
258.11014	1.2
289.50424	0.4
339.28937	1.6
445.27048	0.5
450.50998	0.5
504.34528	8.9
506.00919	0.4
522.35571	28.3
523.36047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
53.03939	0.4
62.68024	0.3
65.97089	0.3
67.05514	0.5
69.03432	0.4
69.07065	0.5
70.06600	0.7
71.57901	0.4
72.08169	0.4
81.03436	0.4
81.07060	0.6
83.08637	0.3
84.04497	0.4
84.08149	0.6
91.05450	0.5
95.04958	0.7
103.05466	1.7
105.07036	0.4
107.08620	0.5
109.10173	0.4
112.07603	0.3
130.06531	100.0
131.06870	1.0
133.10135	0.4
135.11720	0.3
135.34943	0.3
141.43976	0.3
182.06013	0.7
189.11536	0.3
193.54427	0.3
233.08054	0.6
234.78812	0.3
434.22708	0.4
448.30496	0.4
522.26953	0.6
522.34161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
55.01858	3.3
55.05510	40.1
57.03431	15.4
57.07081	18.8
62.94897	3.0
67.05507	41.2
69.03393	2.9
69.07072	36.1
71.04975	5.3
71.08633	15.5
76.44533	3.0
79.05490	23.2
79.99716	3.0
81.03419	86.4
81.07059	39.4
81.77477	2.9
83.04983	11.7
83.08619	37.8
85.06541	5.0
85.10201	6.0
91.05479	31.6
93.07049	28.1
95.04977	23.8
95.08607	21.5
96.83985	3.1
97.02946	3.9
97.10165	25.2
105.07040	19.3
107.04947	5.6
107.08593	12.9
109.06550	3.7
109.10158	12.5
111.08032	6.7
111.11697	5.0
117.07037	3.3
118.33087	2.8
119.08561	15.3
121.10140	13.8
123.11725	3.5
129.07040	9.2
131.08592	10.6
133.10143	8.9
135.11682	10.8
142.78857	3.3
145.10118	7.4
147.08037	3.9
147.11629	7.9
149.09618	6.0
153.09338	3.6
157.10114	7.2
163.11168	7.2
175.11169	8.8
193.12242	51.3
211.13322	6.8
227.12784	15.0
249.14958	3.7
261.22186	7.4
267.15918	100.0
267.70105	3.3
311.25797	55.0
324.12338	3.4
335.25732	4.6
503.37473	29.1
521.38519	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51979	3.2
53.03930	7.7
55.05516	37.2
57.03431	6.5
57.07078	34.9
67.05510	53.0
69.03422	4.2
69.06709	5.0
69.07066	41.9
71.08630	23.4
71.58771	3.9
79.05495	44.5
81.03408	11.5
81.07060	58.8
83.04979	10.4
83.08622	37.8
85.02924	4.1
85.10185	6.7
91.05487	40.8
93.07036	50.7
95.04980	16.4
95.05467	3.6
95.08613	50.0
97.06531	10.1
97.10177	22.5
105.07036	39.2
107.04927	9.1
107.08598	38.8
109.06498	8.8
109.10172	19.5
111.04430	3.8
111.11726	6.3
117.07021	13.3
119.08601	28.7
121.06510	5.6
121.10175	37.3
123.08070	4.4
123.11699	9.8
125.05974	5.1
126.21449	3.7
129.06998	12.0
131.08589	27.8
133.10143	27.9
135.11670	23.6
137.09650	4.0
145.10136	32.6
147.11717	25.8
149.09610	27.3
151.11143	3.9
155.08505	5.7
157.10147	13.1
159.11653	9.0
163.11203	40.7
165.12827	4.6
169.10109	3.7
173.09705	6.1
175.11151	16.7
181.12273	7.7
184.28702	3.7
191.10634	8.2
193.12216	19.1
209.11784	7.6
211.13356	5.6
227.12758	58.0
231.43542	4.0
237.21989	4.8
239.23470	5.0
243.15945	4.1
267.15936	48.0
300.20309	4.6
311.25833	42.8
325.21643	3.5
340.23874	3.3
385.97458	3.3
396.61459	3.5
397.82544	3.2
404.36807	3.4
411.32718	4.8
426.27170	4.0
428.28903	4.3
440.29321	5.5
441.29733	20.0
503.37268	24.3
521.38220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92753	7.1
53.03943	7.5
55.05505	55.3
57.03418	7.0
57.07066	26.2
67.05222	7.2
67.05511	89.7
69.07068	66.2
71.04982	7.8
71.08612	21.6
71.59277	12.8
79.05499	58.2
81.07050	100.0
83.04988	8.1
83.08629	50.1
85.10215	7.5
91.05461	31.4
93.07038	52.5
95.08607	70.6
97.06541	8.6
97.10164	25.4
105.07013	22.6
107.08593	27.6
109.10148	24.8
111.08044	10.2
115.64680	6.8
119.08569	23.2
121.10120	10.1
123.90988	8.0
125.13253	7.7
133.10072	13.9
135.08028	10.6
135.11678	21.6
137.13286	9.4
147.11728	9.4
148.00354	8.4
149.13263	23.9
161.13237	9.7
163.11159	16.5
167.14326	18.6
211.10432	7.9
227.12770	34.5
241.17859	20.4
324.58945	7.0
521.32196	67.4
521.40442	53.4
522.32855	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	521.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
53.35851	0.6
53.61143	0.7
54.04862	0.7
55.01875	1.7
55.05512	10.3
57.03436	1.5
57.07080	22.0
57.78904	0.7
65.03941	1.3
67.05178	1.3
67.05508	20.1
69.03445	1.0
69.07069	9.8
70.20519	1.4
70.20868	2.2
71.04983	2.5
71.08634	16.4
73.53188	0.8
79.05072	1.2
79.05498	18.0
81.03415	1.5
81.07060	23.9
83.04974	1.8
83.08622	10.3
85.10184	8.0
91.05475	7.1
93.07045	28.1
95.04973	5.2
95.08609	41.0
97.02879	3.0
97.06525	2.8
97.10146	3.3
99.04456	2.4
105.07043	5.8
107.04967	5.2
107.08593	21.1
109.06557	1.5
109.10160	8.1
111.04444	1.1
111.08054	1.6
111.11754	1.2
116.67838	0.7
117.07037	7.9
119.08573	6.3
121.06514	4.9
121.10138	10.4
123.11680	2.2
125.06004	1.7
125.13199	0.9
129.07082	0.7
130.07797	1.2
133.10118	2.2
135.08038	2.1
135.11699	35.0
137.13289	1.4
138.86282	0.9
139.07492	1.5
145.09029	1.4
145.10129	22.2
163.11192	43.7
181.12273	10.5
209.11623	1.1
221.22615	0.9
227.12785	100.0
228.13049	1.2
239.23720	2.9
241.18166	0.8
294.67841	0.8
302.25671	0.8
380.86212	0.8
521.38336	56.8
522.39294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
56.05024	1.3
57.03429	0.4
58.06581	1.4
59.07365	0.2
60.08163	16.8
62.03587	0.2
67.05505	3.2
69.07056	1.7
69.48596	1.8
71.07372	6.8
76.10365	0.2
79.05484	1.0
81.07056	2.6
83.08627	0.5
84.08155	0.3
86.09704	53.2
91.05492	0.3
93.07043	0.6
95.08603	2.1
95.09167	0.4
97.06531	0.3
97.10129	0.5
98.98458	4.5
104.10741	100.0
105.07011	0.4
105.11100	0.3
107.08586	0.3
109.10168	0.6
118.55431	0.2
121.10172	0.3
123.11712	0.3
125.00000	31.7
160.45801	0.3
163.01552	0.8
184.07335	99.7
257.35278	0.2
258.11075	1.2
283.03134	0.3
337.27307	0.9
443.25702	0.4
502.32959	7.2
520.33978	23.4
521.34424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03937	0.8
57.03434	0.5
61.02939	0.5
65.40855	0.5
69.03426	0.5
70.06598	3.4
70.16889	0.5
70.18307	1.6
72.08150	1.8
74.06073	0.7
84.04504	1.2
84.08135	1.6
85.02904	0.8
86.09699	1.9
87.09991	0.5
91.05468	0.6
97.02921	0.5
98.21160	0.9
101.07200	0.5
103.05471	58.1
105.04553	0.5
105.07023	4.0
107.04967	0.6
115.05480	0.7
116.07111	0.9
119.04948	0.9
120.08109	1.1
122.03707	0.6
127.03928	0.6
129.10255	0.8
131.04932	100.0
132.05330	0.5
133.06499	4.2
136.07567	1.3
137.05942	4.5
137.06770	0.4
147.04489	1.0
161.05998	8.8
161.09402	0.5
163.07547	26.9
173.12886	1.0
174.13231	0.5
175.07582	1.1
179.07027	0.8
187.07555	1.3
189.08849	0.7
190.34389	0.4
220.04327	0.9
240.07538	0.5
241.08284	0.5
267.94986	0.5
279.10342	0.7
291.10205	0.7
311.12933	1.2
340.08627	1.5
360.84912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03952	0.9
55.01881	0.3
70.06590	0.4
71.17845	0.7
75.99987	0.3
77.03941	0.6
79.05488	0.6
85.02922	0.5
91.05480	0.8
92.26432	0.2
95.04977	1.0
95.71583	0.3
103.05473	56.8
105.04546	0.3
105.07042	4.0
107.04984	0.6
115.05450	1.0
119.04967	0.8
122.03630	0.5
125.71021	0.3
131.04932	100.0
132.05287	0.9
133.06480	3.3
137.05984	4.4
137.54530	0.3
147.04443	0.9
159.08018	0.5
161.05981	9.1
163.07550	27.1
164.07906	0.4
175.07588	0.9
179.07048	0.8
187.07581	1.5
191.08582	0.2
195.03197	0.3
279.10135	0.6
291.10089	0.5
309.15057	0.3
311.12891	0.4
492.61942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.6
55.01875	3.9
55.05502	18.0
56.38431	3.9
57.07063	5.6
60.04521	4.6
67.05504	31.5
69.03418	15.1
69.07054	15.3
70.06585	14.7
71.04994	19.6
71.05321	4.2
71.07248	10.1
72.08151	11.8
79.05483	36.5
81.03401	8.7
81.06645	6.0
81.07065	79.8
83.04958	4.3
83.08603	10.8
84.04482	12.2
84.08119	7.3
85.02906	23.5
85.06551	25.3
86.09685	14.7
87.00800	16.8
87.04417	5.2
91.05436	23.0
93.07044	56.7
95.04984	8.8
95.08603	45.3
97.02879	14.4
97.06544	13.7
99.04447	5.3
99.08090	7.5
105.01846	12.6
105.06382	6.9
105.07034	100.0
107.08594	51.8
109.02831	10.2
109.06474	8.9
109.10152	30.0
111.08084	5.9
117.07008	8.1
119.08584	47.1
120.08086	17.5
121.10162	32.3
123.08060	6.1
123.11671	14.2
125.09622	26.6
127.03890	15.6
130.05028	5.6
130.06537	7.5
130.07674	5.4
131.04907	7.1
131.08533	17.4
133.06425	4.4
133.10141	62.8
135.11676	32.3
136.07542	5.5
137.05952	14.9
139.11182	5.8
141.09091	6.3
143.10678	44.8
145.05058	4.7
145.10126	34.4
146.11685	4.4
147.07878	4.3
147.11659	15.3
149.13255	18.1
151.11142	6.6
155.10704	5.2
159.11707	29.6
161.09660	7.0
161.13280	27.8
163.11205	4.1
163.14804	6.9
164.26405	4.7
169.12276	5.3
173.13174	7.6
177.12665	4.6
179.14308	9.2
201.16380	20.6
219.17424	34.6
231.04979	4.1
237.18358	10.1
238.06084	4.4
274.05502	4.8
355.48492	4.8
372.20282	4.8
520.28894	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	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
56.05035	0.4
57.03438	0.2
58.06322	0.2
58.06633	0.4
59.07133	0.1
59.07396	0.2
60.08165	6.5
67.05504	0.6
69.07068	0.3
69.90108	0.3
69.90524	0.2
70.06612	0.1
71.07373	3.3
72.41431	0.1
79.05493	0.3
81.07063	0.6
83.08635	0.2
86.09706	33.2
87.10002	0.1
91.05492	0.2
93.07074	0.2
95.08607	0.4
98.20981	0.2
98.98468	3.4
103.63152	0.1
104.10743	2.9
109.10140	0.1
119.08643	0.1
122.41885	0.1
123.16890	0.1
125.00005	22.6
126.00304	0.1
143.01051	0.2
184.07341	100.0
185.07753	0.2
187.14546	0.1
258.11053	0.2
337.27124	0.2
358.56134	0.1
402.18741	0.1
502.33047	0.9
520.33990	1.8
523.86548	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01860	0.9
55.05513	8.4
57.03443	7.4
57.07073	0.9
58.76472	0.6
60.04510	1.2
60.08167	2.6
61.08458	0.5
65.03937	1.5
67.05508	30.5
69.07072	8.2
71.04987	1.1
71.07362	1.1
71.58099	0.5
79.05493	17.8
79.05957	0.9
81.07059	26.8
83.04957	0.9
83.08611	3.5
85.06540	1.0
86.09712	13.3
87.10036	4.0
87.60387	0.5
88.03993	7.1
91.05471	8.2
93.07047	18.3
95.04971	1.7
95.08606	20.0
96.44778	0.6
97.06530	1.4
97.10160	0.9
98.21120	0.8
98.98470	8.6
103.95533	0.5
104.10747	2.0
105.07034	5.6
105.11142	0.6
106.05016	1.4
107.08602	8.1
109.06477	1.1
109.10158	7.5
117.07002	1.6
117.28988	0.7
119.08591	4.3
121.10136	6.3
123.11710	2.0
125.00008	8.8
126.00330	1.2
127.00426	2.4
131.08531	2.8
133.10126	2.6
135.11674	2.6
145.10132	1.6
147.11731	1.8
149.13246	1.2
159.11711	0.9
161.13298	1.0
173.02177	1.3
173.13260	1.1
184.07349	35.6
185.07722	14.2
186.07806	9.5
223.59189	0.6
242.04413	0.6
260.05542	0.7
261.22128	2.3
300.06137	0.6
335.25803	100.0
336.26184	2.0
348.25290	1.8
502.31924	0.8
520.32666	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.05511	8.8
57.03443	6.3
58.93302	0.9
65.03930	2.5
67.05513	33.1
67.51740	0.9
69.07069	7.7
69.67513	5.6
70.65895	0.9
70.87981	1.0
71.04979	1.3
79.05505	16.3
81.07064	25.5
83.08614	3.2
83.59925	0.9
88.04001	7.9
91.05458	7.0
93.07059	17.7
95.04952	1.4
95.08614	21.7
97.10185	1.4
98.20815	1.5
98.98472	4.3
105.07018	5.8
107.08610	6.9
109.10151	7.3
117.07028	1.4
119.08602	3.8
121.10162	7.5
123.08090	1.1
123.11674	2.4
124.93780	3.6
131.08578	3.4
133.10149	2.2
135.11723	3.2
142.94746	1.2
145.10094	1.3
147.11694	1.5
159.11679	1.3
167.05521	1.3
167.97998	2.5
184.83369	0.9
258.74951	1.0
261.31381	1.0
335.25818	100.0
336.26440	1.8
348.25290	2.5
380.73694	1.0
430.99390	1.3
460.18655	3.8
488.17984	1.6
520.24310	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	520.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32662	1.6
55.01878	1.8
55.05515	3.9
57.03430	4.9
64.93937	2.1
67.05505	5.6
67.16029	1.9
69.03429	2.6
69.07072	2.8
69.94107	7.5
70.06597	3.2
71.04987	3.3
77.39863	1.6
77.65106	1.6
79.05489	10.5
81.03408	3.7
81.07066	17.1
83.04972	3.1
85.02915	6.8
85.06541	3.5
91.05480	10.4
93.07052	33.3
95.01311	2.4
95.04976	4.6
95.08601	3.5
97.06531	7.5
98.21207	5.3
99.04456	7.2
105.07046	18.2
107.04972	2.7
107.08586	7.0
109.06535	12.3
109.10185	3.2
113.05888	1.9
117.07049	2.0
119.08598	13.1
120.30177	1.8
121.06516	30.6
127.07565	3.7
129.05493	5.2
129.06993	4.5
131.08572	3.7
133.06529	2.3
133.10124	10.5
135.08083	2.5
135.11765	2.1
137.06036	3.2
139.07579	10.9
141.01807	4.8
142.07713	3.1
143.08557	5.3
145.10132	5.4
147.08081	2.5
147.11694	17.3
149.17552	2.1
156.09349	2.4
157.10100	12.3
161.09608	2.4
161.13246	9.7
171.11703	17.3
173.09645	3.3
173.13025	2.0
175.11197	10.4
189.11224	3.2
189.12758	21.7
195.10149	4.4
199.11194	10.7
207.13786	4.0
208.61435	2.5
210.99016	1.9
217.12268	32.7
225.21814	1.8
235.13327	15.3
239.12941	2.2
253.14215	2.2
291.15964	9.2
309.16959	100.0
467.26047	2.6
485.20175	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
54.02855	3.1
55.01883	3.8
55.05515	58.1
57.03421	6.2
57.07067	14.7
65.03950	4.9
67.05164	5.8
67.05508	86.2
69.07074	58.8
71.04981	7.4
71.58519	2.6
79.05491	58.3
81.07064	100.0
83.08630	53.8
85.06543	5.5
86.23762	3.3
89.91997	3.3
91.05481	38.0
93.07043	87.9
95.04997	6.7
95.08607	83.5
97.06530	14.5
97.10174	13.9
104.97689	3.4
105.07027	21.9
107.07959	4.4
107.08607	44.4
109.06533	6.4
109.10169	26.3
111.08067	9.6
117.07016	10.8
119.08595	18.3
119.33321	2.9
121.10149	37.4
123.11683	12.2
125.09644	6.3
131.08549	11.1
133.10152	17.6
135.11719	31.1
137.13237	5.9
145.10109	17.1
147.11687	9.8
149.13275	34.0
159.11694	10.1
161.13290	7.8
163.11201	14.5
167.14319	26.3
173.13264	6.8
181.12386	4.9
187.14812	5.2
227.12805	26.9
241.17937	28.5
243.21152	7.3
250.06270	6.8
254.94307	3.7
261.22156	12.3
276.14990	3.9
278.35062	4.7
306.12506	5.8
362.18881	6.0
377.17682	3.5
418.24683	4.1
427.35672	13.7
445.36893	11.2
474.31485	4.6
501.39270	12.6
519.40863	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	519.1858
Annotation	Simplexoside
Peak:m/z	Relative Intensity
53.03939	0.4
55.01876	0.3
61.02921	0.4
63.80303	0.3
67.05495	0.3
69.03424	1.5
69.66377	0.9
69.66795	0.9
70.06581	1.4
76.02209	0.6
79.05501	0.5
81.03408	0.7
84.04498	0.7
84.08166	0.4
85.02904	2.5
86.09706	1.1
90.80963	0.3
91.05821	0.3
94.04185	2.3
95.04967	0.4
97.02888	1.1
109.02858	0.2
114.09044	0.3
115.05459	1.2
117.07020	0.9
120.08059	0.2
121.95123	0.3
122.03659	5.1
127.03923	0.5
127.98532	0.3
130.05023	0.4
136.07664	0.2
137.05978	100.0
138.06343	0.7
141.05495	0.3
143.03766	0.5
143.04919	6.7
145.06438	0.4
147.07669	0.4
151.03908	14.5
151.04955	0.7
161.05994	0.4
167.05566	0.5
175.07521	2.4
179.05011	0.3
185.58223	0.3
187.07446	0.3
191.06938	0.4
203.07074	1.8
205.08589	4.0
217.37465	0.3
277.98544	0.3
299.06287	0.6
327.12271	15.3
357.06558	0.6
357.13315	8.3
489.17770	0.7
506.46182	0.3
519.18628	31.2
520.19067	0.9
547.42358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
51.06184	0.3
53.03938	0.7
55.01873	0.3
55.05519	0.4
57.03410	0.5
61.02928	0.4
65.03945	0.5
67.05486	0.9
67.57537	0.3
69.03442	2.1
70.06580	1.1
71.05019	0.3
71.57407	0.7
72.08156	0.9
73.04757	0.4
78.76811	0.3
79.05485	0.8
81.03412	0.9
81.07044	1.0
83.06101	0.5
84.04507	1.9
84.08141	0.7
85.02906	2.5
86.09708	1.6
87.17688	0.3
91.05481	1.3
93.07017	0.6
94.03677	0.3
94.04182	2.0
95.04961	1.0
95.08607	0.6
97.02898	1.0
100.98518	0.3
101.07132	0.4
102.05580	0.3
103.05471	0.7
105.07020	0.4
107.04955	0.6
109.02875	0.4
109.06530	0.6
109.10178	0.4
115.05476	1.6
117.07008	0.7
119.08590	0.9
120.08046	0.4
122.02831	0.5
122.03656	6.0
123.08074	0.3
123.11667	0.4
127.03911	0.7
129.06639	1.1
129.10269	0.4
130.05019	2.0
130.06493	1.6
131.04936	1.2
135.07993	0.4
137.05980	100.0
138.06337	0.5
141.05420	0.5
143.04930	7.7
145.04915	0.3
145.06470	0.7
147.07620	1.6
151.03923	13.7
151.05028	0.9
151.07253	0.3
161.05992	0.4
165.41939	0.3
167.05574	0.8
173.12987	0.3
175.07523	2.1
190.98624	0.5
201.05450	0.6
203.06949	1.5
205.08597	3.1
211.12331	0.5
270.13727	0.5
271.14462	0.5
284.15146	0.3
285.16003	0.7
299.06262	1.2
327.12274	14.0
329.14999	0.3
330.99796	0.4
336.25082	0.4
344.17267	1.3
357.08975	0.5
357.13342	8.8
489.17911	0.6
519.18701	31.9
520.18927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05028	0.7
57.03437	0.1
58.06635	0.4
59.07383	0.2
60.08165	6.1
67.05502	0.6
69.07059	0.1
69.83108	0.5
70.06586	0.2
71.07372	3.4
79.05499	0.3
81.07027	0.5
83.37787	0.1
86.09705	32.2
91.05475	0.2
93.07041	0.3
95.08607	0.4
98.20689	0.1
98.21238	0.3
98.98461	3.2
104.10744	3.2
107.08581	0.1
115.08170	0.1
121.54175	0.1
125.00005	22.5
140.02463	0.1
143.01048	0.2
147.56482	0.1
156.56923	0.1
163.01646	0.1
184.07339	100.0
185.07675	0.3
232.67554	0.1
258.10992	0.1
335.25699	0.2
467.49496	0.1
500.31165	0.8
518.32428	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81608	0.2
55.05505	0.8
55.05749	0.2
56.05036	1.8
57.03424	0.4
58.06584	1.4
60.08165	17.7
60.85141	0.2
62.95025	0.2
67.05501	2.4
69.07053	0.9
69.41020	0.3
69.96273	0.9
70.06596	0.3
71.07374	6.9
79.05486	1.6
81.07057	1.8
86.09707	51.4
91.05476	0.7
93.07039	1.7
95.08612	1.6
98.98464	4.5
104.10745	100.0
105.07054	0.4
105.11042	0.4
107.08612	0.8
109.10140	0.5
119.08578	0.3
121.10127	0.5
125.00007	28.5
149.13217	0.3
163.01599	0.6
184.07344	97.5
185.07692	0.4
202.83807	0.2
220.67007	0.3
258.11044	1.0
335.25845	0.8
441.23807	0.4
500.31390	9.0
501.31546	0.3
518.32428	21.3
519.32629	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.5
55.05505	11.5
57.03453	4.5
64.40495	4.6
67.05499	19.0
69.03421	11.9
69.07053	7.0
71.57438	3.7
79.05485	21.1
81.03421	10.0
81.07060	100.0
81.33338	4.6
84.08142	7.4
85.02904	20.4
87.00829	16.3
87.09046	3.8
91.05489	19.7
93.07041	48.9
95.04970	5.5
95.08610	57.4
97.02894	15.3
97.06535	15.6
105.01889	23.8
105.07043	26.0
107.08614	23.7
109.02890	9.6
109.06524	7.0
109.10189	27.8
111.08078	6.7
119.08584	20.8
121.06531	6.5
121.10139	43.3
123.08092	8.3
123.11742	26.8
125.09600	6.7
127.03888	23.2
130.06517	13.8
133.10161	21.8
135.08131	7.5
135.11670	13.4
145.05017	10.9
147.08012	5.4
147.11722	10.8
157.10136	5.2
159.11752	4.8
160.75931	4.6
161.09660	13.5
161.13257	33.1
167.10747	4.7
175.11162	5.0
189.16415	36.5
199.14856	11.3
211.21710	4.0
217.15886	38.9
231.04971	10.0
235.17004	48.3
280.56570	4.4
305.50598	4.7
390.40707	5.3
463.83212	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	518.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01871	1.0
55.05501	5.5
56.05024	1.1
57.03447	0.8
57.98783	0.8
58.99588	19.1
67.05512	5.0
68.73586	0.8
69.03414	2.0
69.07064	2.0
70.06586	4.0
71.04990	0.9
71.58488	0.8
71.58865	0.9
71.84267	0.7
72.08154	1.4
74.06038	0.9
76.02229	100.0
76.03985	4.0
79.05490	5.8
80.05044	1.1
81.03421	19.1
81.07056	6.7
83.04986	6.9
83.06102	1.0
83.08626	5.7
84.04504	28.9
84.08141	1.5
85.02908	1.2
85.04039	0.7
86.09724	4.5
86.99059	4.2
88.02217	1.6
91.05482	7.4
93.03401	0.7
93.07050	2.7
95.04975	6.8
95.08621	2.0
97.02880	0.7
97.06544	2.4
97.10214	0.7
102.05542	1.2
105.07047	4.2
107.04947	1.8
107.08636	1.9
109.06490	1.3
111.08086	1.7
114.03766	1.1
116.01683	24.3
119.08579	4.7
120.08087	1.0
121.10178	0.7
123.08081	0.7
129.06996	2.4
129.10236	1.0
130.05014	14.5
131.08574	2.5
133.06599	0.8
133.10120	2.1
137.05972	4.4
137.09651	0.9
137.79382	0.7
142.03218	11.7
144.01144	13.0
147.11688	2.8
149.09659	1.6
151.03993	1.0
157.10130	2.7
162.02206	46.7
165.12802	0.9
170.02716	4.5
175.11224	3.9
177.03381	1.2
179.04857	83.7
185.03735	0.9
187.05441	2.4
187.14613	0.8
193.12260	13.6
205.08719	0.8
211.13301	24.6
211.15265	1.4
215.04865	3.2
216.09406	0.8
233.05911	25.4
245.05986	5.8
274.10242	0.7
276.15945	1.0
286.14688	1.6
290.08191	2.2
291.06491	2.4
294.16913	0.7
308.09100	63.8
356.15070	1.0
372.14792	1.7
376.11606	0.8
389.17465	3.1
518.21570	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.7
67.05480	10.2
69.03423	5.0
69.57224	5.4
69.57623	20.9
70.06580	4.9
71.04967	3.4
72.08128	5.1
78.13134	3.0
79.05486	12.7
81.03408	9.3
81.07056	36.2
83.08636	3.1
84.04494	3.9
84.08131	5.9
85.02909	12.7
86.02425	5.5
87.00816	8.1
87.02736	3.5
91.05471	8.3
93.07044	12.1
95.08590	16.4
97.02900	7.3
98.20872	7.0
98.21466	6.5
98.67846	3.8
100.03980	7.0
103.84876	2.9
105.01846	15.9
105.07027	19.5
107.08578	11.9
109.10165	8.7
110.02411	6.0
110.05383	3.1
113.04195	4.3
116.71224	3.3
119.08580	21.9
121.10139	8.5
123.11665	8.0
127.03899	8.2
128.03426	17.7
130.04964	3.8
130.06544	3.1
131.08556	4.4
133.10118	13.8
135.11717	8.7
145.04900	3.7
145.10138	5.9
147.11635	7.4
159.11658	5.1
161.13216	15.1
162.02203	3.7
174.03983	100.0
180.08493	3.1
189.16382	19.0
217.15807	3.3
231.64349	3.3
235.16992	7.3
327.19778	4.7
443.03204	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	517.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01875	2.7
55.05512	28.9
57.03432	8.3
57.07070	4.4
60.00848	1.8
65.03947	3.2
67.05167	3.9
67.05507	63.1
67.70741	2.0
69.07073	25.5
70.08714	3.7
70.09114	4.4
71.04993	4.3
79.05051	3.3
79.05495	42.2
81.03419	12.2
81.07061	63.6
83.04982	3.5
83.08618	15.1
85.06546	4.7
91.05486	39.6
93.07042	49.8
95.04981	10.5
95.08607	50.2
97.06520	7.8
97.10172	8.1
99.08093	3.8
100.58717	2.1
105.07023	37.2
107.04959	5.1
107.08597	32.4
109.06504	3.6
109.10153	22.4
111.08083	3.4
115.05381	2.8
117.07032	15.3
119.08584	40.6
121.06512	4.3
121.10140	25.8
123.08054	4.9
123.11700	7.5
125.09660	5.8
129.07005	7.7
131.08569	31.7
133.10143	32.5
135.08035	5.2
135.11697	15.4
135.87938	1.9
137.09676	4.9
141.06931	2.6
143.08528	11.7
145.06403	2.8
145.10124	27.3
147.08113	2.2
147.11702	23.7
147.12810	2.9
149.09633	5.0
149.13277	8.1
155.08542	4.0
157.10133	10.0
159.08096	3.1
159.11690	23.2
161.09613	3.3
161.13278	11.3
163.14850	2.4
169.10139	5.1
171.11746	10.0
173.09665	2.4
173.13289	12.6
175.14839	6.1
177.12755	2.5
177.16464	2.6
181.10184	2.5
183.11705	4.5
185.13287	7.4
187.11098	1.9
187.14809	5.9
189.11172	3.3
189.12813	3.1
193.12276	2.8
197.13310	4.2
199.14900	4.6
201.16374	4.2
211.14803	3.7
213.16458	4.0
215.18039	6.4
225.16441	3.0
227.12700	2.2
227.17967	2.1
233.19034	3.7
239.12953	3.2
241.17830	3.1
259.20627	3.5
267.15918	5.7
273.22086	4.2
277.22012	2.0
285.22266	2.1
293.21509	2.2
299.23532	2.2
301.25226	2.6
307.22647	7.1
322.28937	1.8
329.24521	2.7
407.28839	3.6
407.33472	3.3
425.30084	7.1
425.34244	10.5
443.35791	2.9
499.34119	12.9
499.37585	10.4
517.39349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01860	4.1
55.05513	24.3
57.03442	8.2
57.07076	3.0
59.83265	1.6
65.03936	1.8
67.05509	57.7
69.03421	1.9
69.07070	23.1
71.04981	3.5
71.33100	1.4
71.33415	2.5
72.05922	1.6
75.08016	1.2
77.03932	2.0
79.05498	38.8
81.03410	6.8
81.07062	60.9
82.86531	1.3
83.04994	4.1
83.08617	18.3
85.06565	3.7
91.05487	39.9
91.98428	1.4
93.07050	49.5
95.04982	8.9
95.08614	46.7
97.06554	5.1
97.10174	11.4
98.21265	1.9
103.05458	1.8
105.07036	43.7
107.04935	2.5
107.08599	29.5
109.06523	5.1
109.10157	20.4
111.08094	3.7
117.07035	16.9
119.08591	42.8
121.06492	2.3
121.10158	23.8
123.08089	3.2
123.11716	6.6
125.09632	5.2
129.07054	7.3
130.06540	11.0
131.08569	30.3
133.10144	30.0
135.08038	3.4
135.11699	17.0
137.09616	5.5
137.13229	1.8
141.06999	1.8
142.07767	2.0
143.06975	1.5
143.08600	10.2
145.10138	27.4
147.11700	22.4
149.09633	5.0
149.12199	1.5
149.13240	8.7
155.08583	4.1
157.10127	12.9
159.11708	22.5
161.09589	2.1
161.13251	11.0
163.11131	2.5
163.14842	3.5
169.10164	4.6
171.11723	8.8
173.13264	14.4
175.11212	2.6
175.14874	6.6
177.12804	1.8
183.11763	4.4
185.13290	9.1
187.14836	7.6
189.11211	2.0
189.16400	2.3
195.11722	1.9
197.13228	2.9
199.11185	2.0
199.14868	5.5
201.16467	2.9
203.18140	1.7
213.16457	2.3
215.18059	3.1
225.16336	1.9
227.12837	3.4
233.18996	2.3
237.88846	1.6
239.18069	2.5
245.19095	2.1
257.19052	2.9
259.20587	5.4
261.22198	2.9
263.20236	1.7
267.15939	4.1
271.20508	2.0
273.22128	6.4
277.21655	2.3
285.21967	2.4
287.23645	2.6
299.23691	4.9
301.25266	2.4
303.23392	1.6
307.22763	2.8
313.25342	1.8
315.23184	1.9
333.24396	2.7
335.25943	2.9
407.29205	5.1
407.33691	3.1
425.34717	12.3
443.35809	8.5
499.37689	15.4
517.39423	100.0
518.39069	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	517.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.7
53.03935	5.1
55.01869	5.2
55.05513	30.0
57.03440	9.7
57.07061	4.3
65.03925	2.8
67.05505	69.5
69.03421	2.5
69.06715	2.5
69.07069	33.4
70.14500	5.5
70.14884	3.2
71.04973	5.8
79.05492	54.2
80.72280	1.5
81.03416	15.6
81.07059	71.0
83.04971	7.5
83.08617	17.5
85.06527	3.8
91.05485	47.6
93.07047	58.9
95.04974	11.5
95.08610	58.7
95.09228	2.3
97.06531	9.3
97.10175	10.2
99.08080	2.6
103.05473	2.6
105.07033	48.1
107.04941	3.9
107.08593	41.9
109.06512	6.5
109.10162	31.9
111.08089	3.0
115.05450	2.7
117.07004	18.6
119.08576	44.7
121.06523	4.2
121.10146	27.4
122.80277	1.7
123.08060	5.3
123.11683	10.1
125.09628	5.2
127.07491	1.8
129.07011	12.1
131.08577	35.3
133.06493	2.4
133.10130	38.9
135.08029	6.3
135.11690	20.7
137.09610	5.2
137.13246	1.8
139.11189	1.9
141.07018	2.7
142.07803	2.2
143.07027	3.2
143.08553	13.9
143.09624	2.4
144.09294	1.8
145.09004	3.3
145.10115	34.0
147.08017	3.0
147.11693	25.3
149.09610	5.3
149.13297	10.7
154.66019	1.6
155.08575	5.6
157.10147	12.8
159.08058	1.8
159.11678	20.4
161.13275	14.0
163.11162	3.0
163.14824	3.8
165.09097	3.0
165.12790	2.3
169.10104	6.0
171.11682	14.7
173.13239	17.5
175.11258	4.1
175.14861	8.5
181.10088	1.8
183.11664	5.9
185.13249	7.3
187.11189	2.1
187.14815	8.8
189.11235	3.0
189.16418	5.1
193.12265	2.1
195.11667	3.3
197.13260	7.0
199.09627	1.9
199.14813	7.0
201.16405	5.0
203.14310	3.4
205.15889	1.6
211.14871	4.9
213.16418	4.4
215.17944	5.7
219.13625	1.8
223.16953	2.2
227.12648	1.8
227.18098	2.8
233.19077	4.8
235.16878	2.0
239.12741	6.6
239.18019	2.1
241.17851	3.4
241.19919	1.8
245.19020	3.3
255.21135	2.2
259.20602	7.4
261.22116	5.0
263.20126	2.4
267.15726	3.8
271.20660	3.1
272.07297	1.6
273.18344	2.2
273.22141	4.3
275.20117	2.1
285.22110	4.0
287.23682	3.8
289.21530	2.4
299.23611	4.1
301.25226	4.8
305.24725	2.1
307.22675	3.3
315.23309	2.2
315.26785	1.9
317.24902	2.6
327.23245	2.1
335.25797	6.0
343.91528	1.8
381.07928	2.0
407.28851	5.2
407.33234	4.6
425.29871	6.5
425.34113	14.9
443.35925	7.7
461.36169	2.9
499.33835	15.4
499.38034	12.8
517.39703	100.0
518.39117	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.0
55.01865	6.5
55.05515	31.2
57.03440	15.2
57.07071	8.1
67.05171	4.6
67.05510	79.2
69.03413	3.3
69.07076	35.2
69.26515	19.7
69.26933	6.6
71.04991	5.4
79.05499	74.9
81.03433	38.7
81.07067	93.7
83.05002	4.4
83.08632	17.1
85.06543	5.8
87.04482	13.9
91.05490	61.1
93.06466	4.4
93.07052	70.7
95.04975	16.5
95.08611	56.1
97.06544	12.5
97.10163	12.7
98.20896	10.9
99.08143	4.3
105.07044	50.3
105.24575	2.5
107.04958	6.0
107.08606	39.1
109.06510	9.1
109.10167	27.1
111.08102	4.1
115.05444	3.3
117.07049	21.7
117.32431	2.5
119.08583	46.8
121.06503	8.5
121.10154	35.2
123.08091	9.9
123.11717	11.5
125.09622	10.0
128.06221	4.7
129.07027	17.8
131.08577	35.2
133.06563	3.5
133.10133	32.3
135.08060	7.3
135.11711	19.2
137.09627	9.2
137.13246	4.2
141.07071	4.6
143.07037	8.8
143.08578	15.2
145.10126	31.8
147.08061	9.5
147.11691	33.5
149.09653	3.7
149.13292	11.5
155.08542	6.5
157.10121	14.0
159.08073	4.6
159.11667	16.6
161.08167	3.5
161.13261	12.0
163.11212	5.0
165.09111	8.2
165.12804	6.7
169.10100	6.9
171.11713	12.1
173.11957	4.2
173.13258	16.4
175.11224	4.1
175.14809	8.0
177.12869	4.0
181.10123	5.6
183.11710	8.0
185.13242	8.9
187.14830	6.0
189.11221	4.5
189.12762	3.3
195.11714	3.8
197.13237	5.3
199.09669	8.6
199.14845	4.6
201.16418	4.8
211.14861	6.2
215.18013	10.2
227.12668	4.9
233.19070	4.1
239.12767	15.1
239.18001	5.2
239.79301	3.1
243.21088	4.7
259.16824	3.1
261.22189	6.8
267.15811	14.5
271.20670	3.3
273.22009	4.6
275.19952	5.0
299.23724	4.4
301.25421	5.8
307.22672	5.3
313.21704	4.2
317.24811	3.6
327.23187	5.5
335.25861	9.4
345.24088	4.0
359.25888	4.3
401.26816	6.0
407.29318	15.2
425.30084	18.1
443.31525	5.7
481.32486	3.5
496.02530	2.9
499.33975	57.6
517.34711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.01876	5.7
55.05516	32.1
57.03430	10.0
57.07065	4.4
65.03942	3.2
67.05507	62.1
67.81516	2.9
69.03418	6.8
69.07074	18.1
71.20087	6.4
75.68099	2.6
79.05489	53.8
81.03427	20.9
81.07060	59.8
83.04966	3.1
83.08629	18.8
85.06554	5.2
86.95428	2.8
91.05478	44.4
93.07043	46.5
95.04956	21.8
95.08604	34.6
97.06561	7.0
97.10168	18.7
99.08105	4.9
105.07027	32.5
107.04966	8.1
107.08602	31.8
109.06508	4.8
109.10166	23.9
117.07024	22.9
119.08576	29.8
121.06510	10.9
121.10133	18.5
123.08057	6.4
123.11721	9.2
125.09595	19.2
126.34909	3.3
129.07007	10.1
130.06551	4.0
131.08582	27.1
133.10139	24.6
135.08041	9.1
135.11661	18.2
137.09639	6.1
143.08563	9.4
145.10101	21.6
147.08052	6.5
147.11659	18.6
147.63680	3.1
149.09637	7.5
149.13257	10.2
155.08505	5.7
157.06479	4.7
157.10123	10.2
159.11685	13.8
161.13217	9.5
163.11162	4.6
169.10144	7.9
171.11714	8.5
173.13261	13.1
175.14798	7.0
183.11751	4.4
185.13219	7.6
187.14775	5.6
189.11212	9.5
193.12279	8.9
197.13202	3.7
199.14835	6.0
201.12846	4.6
209.13049	3.5
215.14301	3.3
215.18022	9.2
227.12807	8.0
233.19043	12.8
239.12799	5.4
245.13635	3.4
257.19052	5.4
267.15976	18.3
273.22141	13.3
275.19843	3.4
297.22269	3.3
307.22580	17.5
335.26053	3.7
354.65906	3.4
380.92474	3.7
407.24319	3.2
407.29486	6.7
421.25687	3.7
425.30472	19.4
443.31555	9.3
499.34106	58.0
517.35480	100.0
529.69537	3.4
539.69000	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	517.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01871	10.6
55.05504	29.4
57.03429	8.8
57.07071	5.1
67.05506	79.2
69.07069	39.6
71.05005	8.0
71.58884	5.6
79.05497	68.7
81.03415	39.3
81.07064	90.1
83.04978	7.3
83.08616	13.6
85.06491	4.8
91.05486	61.9
93.07045	76.0
95.04963	19.2
95.08607	69.3
97.06530	15.9
97.10172	13.5
105.07029	53.3
106.43080	3.7
107.04949	9.2
107.08594	36.0
109.06525	10.5
109.10154	30.4
115.05447	4.5
117.07012	22.9
119.08597	46.6
120.71330	4.7
121.06504	10.3
121.10143	37.3
123.08100	11.1
123.11689	10.5
125.09599	7.6
129.07018	13.3
131.08565	47.2
133.06464	5.5
133.10109	36.5
135.08047	9.8
135.11705	18.1
137.09625	17.0
143.07024	8.6
143.08557	14.2
145.10114	29.0
147.11725	26.4
149.09630	17.1
149.13304	6.3
154.07791	5.4
157.10156	15.5
159.07982	5.8
159.10454	4.8
159.11713	20.0
161.09618	6.9
161.13286	9.4
163.11177	8.2
165.09148	8.1
169.10109	12.7
171.11658	11.8
173.13300	16.4
175.14758	4.8
183.11716	6.7
185.13277	9.9
187.14845	7.0
197.13258	5.8
199.09627	7.7
199.14861	6.7
200.44699	4.4
213.16483	5.8
215.17972	10.3
239.12720	13.5
261.22116	11.0
267.15906	6.7
291.01068	4.9
291.19531	8.4
299.20410	4.1
301.25208	8.5
335.26025	11.4
389.28299	5.3
401.26752	5.6
407.29456	14.4
425.30591	28.9
443.31400	9.3
481.32611	6.8
499.34268	73.9
517.35724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	19.7
55.73388	10.5
61.57109	10.8
67.05502	62.2
69.07076	50.1
70.54868	30.3
79.05493	50.4
80.15357	10.8
81.03423	24.5
81.07055	48.3
91.05482	47.3
93.07043	44.8
95.04996	17.8
95.08597	49.2
97.06505	18.3
105.07031	45.2
107.08604	24.7
109.06537	15.3
109.10147	32.5
117.07072	17.7
119.08561	33.4
120.35423	13.7
121.06541	22.1
121.10101	29.0
129.07047	13.1
131.08578	17.8
133.10139	13.5
144.62068	11.8
145.10144	25.4
159.11798	15.8
171.95877	11.6
194.58810	11.6
221.60368	12.8
237.72923	12.4
239.12830	20.7
259.16330	11.5
343.63898	11.9
407.30231	13.3
499.34079	44.4
517.28308	76.2
517.35712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	6.6
55.01873	8.2
55.05514	33.0
57.03415	7.8
66.92767	5.0
67.05506	73.2
69.07059	15.7
69.88755	24.5
71.04962	8.5
78.95185	5.6
79.05499	59.0
81.03424	24.2
81.07059	70.5
83.08617	21.7
85.06538	6.2
86.09691	6.8
87.59765	4.5
91.05474	47.4
93.07034	53.2
95.04951	19.7
95.08605	43.4
97.06498	7.4
97.10175	24.8
104.10752	9.6
105.07036	42.4
107.04987	7.4
107.08609	31.1
109.06474	9.0
109.10168	25.1
111.08144	6.3
117.07015	13.3
119.08607	29.7
121.06538	7.1
121.10131	23.6
123.08033	7.1
123.11704	15.9
125.09609	21.9
129.07016	16.8
130.06554	7.1
131.08583	28.6
133.06409	7.0
133.10202	24.2
135.08052	13.6
135.11691	20.3
137.09607	7.4
143.08553	8.4
145.10121	25.2
147.11681	16.3
149.09659	6.3
149.13243	6.1
151.11176	5.1
157.10150	13.4
159.11719	26.2
159.40753	5.2
161.09595	5.2
163.11179	9.6
169.10098	6.2
171.11725	13.1
173.13229	8.7
175.11217	5.2
175.14723	7.1
181.10190	5.2
184.07332	11.2
185.13231	6.8
193.12221	7.9
195.11797	5.8
199.14687	5.2
201.16252	7.3
212.33017	6.2
215.18004	14.0
227.12776	10.9
233.18895	12.3
255.20917	6.2
267.15887	19.4
273.22113	16.5
295.20685	5.7
307.22498	10.7
334.39490	5.8
407.29248	13.1
425.30203	20.5
435.04282	5.7
443.31622	10.5
491.93481	6.0
499.34152	58.7
517.35126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.2
53.03939	5.5
55.01865	3.6
55.05507	17.5
57.03425	3.5
57.07076	1.0
65.03934	2.0
67.05505	36.0
69.03419	1.4
69.07063	7.2
71.04993	2.5
71.58869	1.0
73.02911	2.0
76.12007	0.7
77.03900	1.1
79.05490	58.6
81.03404	2.2
81.07053	33.2
83.04976	3.2
83.08614	8.8
85.06536	1.3
91.05476	27.8
93.07042	64.4
95.04975	10.9
95.08604	40.8
95.09234	1.3
97.02876	3.2
97.06503	4.0
97.10177	2.2
98.21047	0.8
99.04449	3.5
99.08079	1.5
103.05427	0.9
105.04505	1.4
105.06378	1.2
105.07031	18.7
107.04938	7.8
107.07859	1.7
107.08588	33.7
109.06499	3.7
109.10140	6.5
111.08070	2.0
113.06010	0.8
115.05449	0.9
117.07021	12.1
119.08584	16.5
121.06492	5.0
121.10144	31.6
123.08067	2.0
125.06010	3.2
125.09632	1.6
129.06975	2.4
130.07774	2.9
131.08556	6.1
133.10120	8.4
135.08066	2.2
135.11685	45.7
137.09596	1.0
139.07547	1.5
139.11143	1.0
143.08540	1.6
145.10123	28.6
145.11270	1.4
147.08041	1.1
147.11678	3.0
149.13261	2.2
151.36409	0.9
157.10129	1.5
159.11671	3.7
161.13293	1.0
163.11183	53.9
164.11586	0.8
166.42534	0.8
169.10138	0.8
171.11685	1.2
173.09601	1.2
173.13246	1.7
181.12202	12.2
185.13124	1.2
187.14758	1.1
203.85634	0.9
206.64703	0.7
209.11700	2.3
215.17995	4.6
219.17245	1.1
227.12770	100.0
228.13254	0.9
233.19031	3.5
283.15305	1.8
289.21689	2.1
289.77869	0.8
305.42712	0.9
362.85147	0.9
385.28223	0.8
415.08606	0.8
426.96661	0.9
441.29486	0.9
459.50174	1.1
497.32349	0.9
515.33594	54.1
516.34009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19422	12.8
52.73168	11.1
55.05505	25.3
64.54941	13.0
67.05507	73.0
71.59197	20.4
79.05490	50.8
81.07060	79.3
88.90284	12.8
91.05487	41.0
93.07037	54.3
95.08593	62.9
97.06525	14.9
105.07078	23.5
107.08584	39.4
114.20969	12.8
117.07063	14.5
119.08565	26.2
128.96860	12.4
132.49284	14.5
133.10207	12.9
135.11647	30.4
145.10085	21.8
157.10249	19.1
163.11212	47.1
227.12807	100.0
477.08978	12.3
517.28619	31.0
517.35681	74.9
541.14398	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14251	1.0
53.03942	4.7
54.84163	1.1
55.01877	6.5
55.05257	1.4
55.05508	14.7
57.03430	2.4
65.03927	2.6
67.05508	34.6
68.03483	1.1
69.03418	2.2
69.07072	10.7
69.24227	9.7
69.24650	2.6
71.04955	1.9
79.05498	63.8
81.03428	2.4
81.07059	32.7
83.04988	4.3
83.08622	9.3
85.06557	1.4
85.41258	1.2
91.05479	30.5
93.07050	70.5
95.04975	11.0
95.08611	43.2
95.09227	1.5
97.02913	3.6
97.06518	4.8
97.10213	1.5
98.20789	2.9
98.21476	3.3
99.04481	3.1
99.08122	1.3
103.05447	1.8
105.07037	19.9
107.04959	6.8
107.08598	31.0
109.06499	3.1
109.10163	5.9
111.08092	1.3
115.05443	1.8
117.07018	15.2
119.08591	19.0
121.06546	6.1
121.10150	29.3
123.08109	2.0
125.06005	2.6
125.09644	2.2
129.07008	2.5
130.07808	2.9
131.08588	6.3
133.10138	9.3
135.08073	3.6
135.11700	47.3
139.07590	1.3
143.08574	3.3
145.10141	29.3
147.11694	3.2
149.09679	1.8
149.13257	3.3
155.08510	1.6
157.10135	2.0
159.11746	4.8
161.13303	2.0
163.11189	53.6
169.10138	1.7
173.09534	1.2
173.13272	3.4
181.12250	12.8
183.11765	2.1
209.11713	2.8
215.17940	6.4
227.12788	100.0
229.45781	1.6
233.19037	3.1
283.15463	2.3
301.50272	1.3
497.32672	1.5
515.33679	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43715	5.0
51.44492	4.5
53.03952	5.0
55.05516	25.1
57.03425	13.9
65.03931	5.6
67.05508	83.4
69.03426	20.8
69.07069	25.3
69.61842	4.1
70.99960	4.9
71.04977	9.2
73.02884	6.8
79.05496	71.4
81.03410	14.7
81.07059	100.0
83.04959	9.8
83.08613	13.6
85.02907	13.0
85.06532	6.1
89.92608	5.9
91.05491	51.5
93.07049	76.1
95.04978	14.2
95.08610	71.5
97.02863	8.3
97.06514	6.9
97.10146	5.3
99.08105	6.6
101.88387	4.6
105.07042	38.0
107.04976	5.4
107.08601	51.5
109.02872	5.4
109.06500	13.6
109.10168	37.0
111.08084	5.7
117.06996	21.4
119.08593	30.8
121.10143	40.6
123.08094	7.8
123.11684	17.9
129.07002	13.9
130.06506	8.0
131.08583	38.8
133.06511	5.8
133.10120	31.9
135.11697	23.4
137.13196	5.2
139.11154	5.4
141.06931	6.5
143.08566	8.3
145.10152	27.8
147.07961	6.0
147.11676	17.0
149.09541	6.4
149.13248	19.3
155.47571	5.9
157.10089	9.8
159.11679	18.5
161.13318	12.8
163.14815	5.9
171.11729	7.1
173.13217	16.5
177.12727	10.0
187.14867	12.5
189.53023	5.2
191.00555	5.8
195.13664	5.9
199.11308	5.5
199.14697	7.1
213.12709	6.1
229.56993	6.1
243.21132	16.6
259.20871	5.1
259.29129	5.1
261.22192	61.7
303.22995	8.3
335.25803	8.4
345.24313	8.8
353.26691	14.8
369.24048	7.1
405.26617	7.0
443.27725	5.6
457.55988	6.2
461.28854	5.8
497.31537	8.3
515.18286	6.9
515.33643	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.0
55.05511	20.1
57.03439	13.3
57.07067	6.4
61.02921	6.5
64.46268	4.6
67.05165	6.8
67.05508	81.3
69.03426	15.1
69.07067	19.8
69.87834	26.1
71.01354	4.7
71.04984	4.8
73.02890	6.5
78.23026	4.9
79.05495	63.0
81.03405	13.8
81.07066	100.0
83.08624	15.4
85.02911	8.6
89.88743	4.1
91.05481	48.4
93.07057	69.7
95.04965	10.0
95.08610	69.4
97.02892	10.4
97.06565	9.7
98.21125	13.5
99.08096	4.4
105.07031	33.4
107.04993	9.1
107.08596	37.6
109.06489	11.2
109.10172	29.1
117.07012	24.1
119.08601	30.4
121.10161	31.7
123.05614	6.8
123.11716	14.6
129.07106	4.9
131.07721	5.3
131.08546	27.5
133.10126	19.1
135.08055	7.1
135.11685	24.4
139.90152	5.2
140.95778	4.6
143.08609	7.6
145.10132	23.4
147.08054	5.5
147.11714	19.7
149.09625	7.0
149.13281	16.1
155.08585	10.0
157.10057	7.1
159.11667	24.7
161.13295	10.7
163.11143	5.3
163.14877	9.0
171.11716	5.8
173.13269	16.0
187.14902	9.1
199.11073	5.6
199.14906	6.3
243.21114	16.5
261.22189	42.9
301.21667	6.4
325.66519	5.2
335.25729	16.0
353.26822	16.0
355.14307	4.9
369.24289	12.8
392.68338	5.0
405.26685	6.2
497.30908	8.4
515.18573	9.9
515.33380	9.3
526.88818	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	4.3
55.01871	3.4
55.05516	18.6
57.03444	9.5
57.07069	3.8
61.02925	5.1
65.03947	5.1
67.05505	100.0
69.03444	11.3
69.07065	23.4
70.43231	9.5
79.05052	5.6
79.05496	66.5
81.03424	10.3
81.07056	94.1
83.04980	6.3
83.08616	10.9
85.02910	10.0
89.83456	3.3
91.05489	45.8
93.07048	72.0
95.04970	9.9
95.08042	6.7
95.08614	69.6
97.02879	5.5
97.06527	8.0
97.10175	7.5
99.04442	3.4
105.07037	25.2
107.04911	4.5
107.08589	47.2
109.06539	10.5
109.10161	40.5
111.08074	4.8
111.11652	3.6
117.07034	17.2
119.08566	27.3
119.71991	3.1
121.10135	36.4
123.08043	4.3
123.11718	17.0
127.03919	4.7
129.07014	6.5
131.08591	31.8
133.10132	20.0
135.08051	5.0
135.11690	29.8
137.09660	3.7
137.13261	5.8
143.08540	7.3
145.10132	26.6
147.11700	17.5
149.09694	5.4
149.13298	28.6
155.08553	4.5
157.10129	5.5
159.08054	5.0
159.11700	22.1
161.13297	18.7
163.14876	15.4
165.12752	4.0
171.11690	7.0
173.13329	19.8
174.44113	3.5
175.14877	5.2
177.16400	4.8
187.14822	11.7
243.21059	20.0
261.22168	71.5
264.51486	2.9
279.23175	3.7
303.23056	5.0
335.25800	11.2
345.24237	5.3
353.26926	14.3
369.24179	9.3
385.52985	3.1
387.25201	5.8
405.26581	7.6
423.28244	4.1
435.54977	3.8
470.59592	3.4
497.31540	6.9
515.33661	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	515.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03984	0.7
55.05513	1.2
57.07069	0.7
67.05504	2.6
69.07072	1.4
70.28874	0.6
71.01343	0.7
73.02908	0.6
79.05521	1.5
81.07053	2.1
83.08615	0.9
85.02895	0.7
86.77852	0.6
89.06036	1.3
91.05481	1.4
93.07040	1.7
95.08607	2.0
97.10166	1.1
105.07047	1.4
109.10159	0.9
117.07040	0.7
119.08604	1.1
129.57698	0.7
131.08585	0.9
133.08569	0.9
133.10078	0.6
135.07930	0.7
135.11729	1.1
143.08585	0.7
149.09631	0.9
149.13248	0.7
190.76547	0.7
265.24969	0.6
339.28952	0.9
356.85583	0.6
514.51343	0.7
515.31915	100.0
516.32336	1.7
533.18939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84580	2.0
53.03939	7.1
53.85804	2.0
55.01856	2.5
55.05262	2.2
55.05512	23.0
57.03432	12.4
57.07066	4.2
61.02911	3.6
65.03928	4.9
67.05504	86.9
69.03409	4.8
69.07066	19.4
71.04983	4.7
71.58341	2.6
73.02899	1.9
74.60947	1.9
79.05492	68.1
81.03418	5.5
81.07060	100.0
83.04971	5.4
83.08610	11.3
85.02881	5.9
85.06542	5.1
91.05479	49.2
93.06465	4.4
93.07048	81.4
95.04971	13.5
95.08607	73.3
97.02887	3.7
97.06519	6.7
97.10179	4.9
105.04535	2.7
105.07027	33.4
107.04929	3.4
107.08600	45.0
109.02837	2.4
109.06514	7.5
109.10158	31.8
111.08070	5.0
117.07024	22.8
119.08578	29.5
121.06496	4.0
121.10149	40.0
123.08062	4.5
123.11694	12.5
125.09600	3.6
128.06134	3.2
129.07018	7.8
131.08574	24.3
133.06461	2.1
133.10132	21.9
135.08102	4.9
135.11685	29.4
137.09595	3.8
137.13202	3.3
139.11067	2.6
143.08560	6.9
145.06499	3.2
145.10115	27.6
147.08032	3.0
147.11679	13.7
149.09598	5.1
149.13243	15.0
151.14876	2.2
155.08545	4.6
157.10112	4.6
159.11684	16.8
161.09557	2.6
161.13229	11.3
163.11166	17.5
163.14835	7.9
169.10121	4.2
171.11661	5.7
173.13242	14.5
175.11179	4.1
175.14821	5.8
177.12752	3.7
177.16301	3.0
181.10101	2.4
181.12286	3.7
183.11729	3.5
184.69260	2.3
185.09570	2.7
185.13283	3.2
187.14810	9.5
197.13226	2.6
201.16315	3.6
211.14888	3.4
215.18073	2.2
227.12756	33.3
243.21127	15.4
247.16939	2.1
257.19156	2.7
261.22150	47.4
303.23096	2.7
335.25812	15.5
345.24261	3.5
353.26776	9.4
382.70151	2.4
405.27109	2.9
419.28134	4.0
423.29285	2.5
469.02069	2.6
497.31866	9.5
515.33649	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83004	3.1
53.03951	5.4
55.05516	26.0
57.03432	18.3
57.07044	3.3
65.03936	3.2
67.05508	97.2
69.03448	7.2
69.07066	15.2
70.77558	8.8
71.01357	22.2
71.04977	4.8
73.02919	25.6
79.05495	55.6
81.03423	6.7
81.07060	100.0
83.04957	3.7
83.08608	13.2
85.02902	45.5
91.05490	35.6
93.07051	69.7
95.01324	10.4
95.04970	10.2
95.08613	72.6
97.02880	13.5
97.06480	4.8
97.10182	5.5
99.00800	3.8
99.04430	4.8
99.08096	3.2
101.02388	5.3
103.03933	10.8
105.07037	29.6
107.08601	40.2
109.06523	2.8
109.10163	30.6
111.08051	4.4
113.02369	16.2
117.07025	13.9
119.08591	31.1
121.10162	32.8
123.11734	14.7
129.06987	4.8
131.03391	12.4
131.08559	19.2
133.10135	18.5
135.11710	22.7
137.13243	5.6
139.11163	2.9
141.01823	24.0
143.08524	5.6
145.10143	16.1
147.11694	11.4
149.13307	16.3
155.08580	4.0
159.02911	6.0
159.11739	19.6
161.13240	12.0
163.14787	6.9
169.04919	6.9
171.11755	3.5
173.13254	12.4
175.14853	6.3
181.10072	3.1
183.11719	3.8
187.14870	11.7
215.05519	6.3
243.21121	12.7
261.22183	35.2
279.23099	4.2
285.22006	3.8
303.23364	6.9
335.25833	35.3
431.27954	3.9
511.27881	17.0
511.34589	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	512.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05299	1.1
55.05516	11.1
57.03428	3.4
57.06817	1.4
57.07079	17.2
65.49428	1.1
67.05507	10.6
69.07052	3.0
70.06602	13.5
71.08633	11.5
71.58173	1.6
73.06548	1.8
79.05495	8.6
81.07064	9.6
82.30190	1.3
83.08606	5.4
85.10166	4.8
85.61395	1.3
87.04477	2.5
88.07632	18.9
89.06035	85.9
91.05463	5.0
93.07042	7.0
95.04993	1.4
95.08622	7.7
97.10165	12.5
102.09193	12.4
105.07031	3.4
106.08603	1.4
107.07056	2.1
107.08587	5.5
109.10130	4.1
117.06988	1.6
119.08585	2.2
121.10108	3.6
125.09632	7.7
130.08641	1.9
131.08557	1.9
133.08606	51.1
135.11775	1.8
145.10092	2.1
177.11238	17.1
189.11293	7.1
215.17952	4.4
221.13843	3.5
227.12804	10.1
228.23222	4.2
233.18990	2.5
239.14928	2.0
245.13855	13.6
256.26379	40.3
274.27524	2.4
283.17462	2.2
283.26321	42.8
307.22696	16.2
311.29404	4.0
327.16238	2.1
327.20145	38.4
340.29596	1.5
355.51807	1.6
370.15494	1.3
477.32086	5.0
512.50372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99731	0.8
55.05515	5.4
57.03418	0.9
57.06824	1.0
57.07076	14.2
67.05502	7.7
69.03419	2.0
69.07072	6.5
69.66598	4.9
70.06242	1.2
70.06591	12.6
71.04987	1.7
71.08635	8.7
71.09470	0.9
73.02893	2.0
77.90311	0.9
79.05492	13.1
81.03412	2.9
81.07053	10.4
83.04964	0.8
83.08636	4.0
85.02917	2.5
85.10170	2.7
86.09705	4.3
87.04477	1.0
88.07630	16.5
89.06031	10.4
91.05476	6.0
93.07050	12.2
95.04939	1.3
95.08599	8.7
97.06529	1.1
97.10161	1.5
98.21587	0.9
100.29853	0.7
102.09187	11.3
105.07042	5.2
107.08574	4.1
109.02839	1.1
109.06557	1.0
109.10155	3.6
117.07021	2.9
119.08574	5.0
121.10140	5.9
123.11701	1.8
129.06996	1.5
130.95294	0.8
131.08601	4.2
133.08624	4.9
133.10149	4.2
135.11694	3.6
137.09607	0.9
143.08539	1.9
145.10124	3.4
147.11674	2.7
149.13301	0.9
149.48970	0.8
154.83540	0.8
157.10146	2.2
159.11673	2.0
161.13286	1.6
171.11707	1.7
173.13258	1.4
175.07491	0.7
177.11208	2.5
177.12643	0.9
183.11804	0.8
185.13338	1.5
213.16458	1.3
215.18010	3.0
228.23219	4.4
233.19038	1.4
245.19107	1.1
256.26346	36.5
257.19077	1.0
274.27420	3.7
275.20139	1.1
283.26331	40.4
311.29526	4.0
323.19998	1.0
327.20239	5.1
340.29303	1.9
341.21109	2.5
359.22269	1.5
377.23355	2.4
380.56155	0.8
395.24234	0.9
512.50391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.2
57.03442	12.0
59.11453	1.8
67.05168	3.0
67.05510	37.5
67.87104	2.0
69.07059	9.0
71.08644	2.6
71.13097	4.8
72.33972	1.8
79.05502	18.0
81.07070	20.0
91.05473	7.3
93.07048	15.8
95.08615	100.0
101.64854	2.0
104.61946	2.1
105.07034	4.6
107.08604	8.2
109.10152	5.6
116.06988	2.2
117.07012	2.7
119.08588	3.7
121.10140	4.8
123.08044	2.6
123.11634	2.4
133.10168	4.0
135.11696	3.9
141.09088	5.7
145.10129	2.4
159.10172	11.6
159.11511	2.8
163.14906	2.9
215.12808	50.7
240.85255	2.1
261.22183	9.7
335.25851	40.8
461.65308	2.1
475.34100	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98953	1.2
56.05040	10.8
58.06609	7.2
70.02941	2.4
70.06557	1.9
71.58112	1.7
73.04012	1.8
74.06081	27.3
84.04507	22.0
85.53809	1.3
85.80472	1.4
88.03994	6.5
91.05470	5.3
101.07143	20.2
102.05530	4.0
103.05460	5.1
105.07050	2.4
110.07217	1.2
117.06987	1.5
119.04904	2.8
119.07328	4.7
120.08112	91.4
128.06274	1.4
130.05008	10.0
130.06471	2.1
132.08102	5.0
136.03941	4.0
147.04387	3.5
148.06068	9.4
149.56601	1.2
158.09650	15.8
160.11218	3.8
164.03433	1.7
176.10716	19.7
177.10220	8.5
182.04448	2.0
185.05580	8.2
203.06612	3.1
203.11824	1.8
217.08000	1.7
217.09813	1.5
221.12854	100.0
227.06691	2.1
228.05042	2.4
235.10750	1.7
245.07710	7.3
249.12363	25.3
263.08646	40.8
278.78296	1.3
301.59912	1.2
364.15054	14.2
396.33875	1.3
410.15305	3.0
511.19534	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10119	0.5
53.47758	0.6
54.54855	0.5
69.76286	2.2
69.76700	0.9
72.66114	0.6
98.20832	1.1
98.21413	1.2
131.08575	0.6
181.18523	0.6
189.57016	0.6
294.51578	0.5
363.02158	0.5
511.28809	100.0
512.29004	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	36.0
57.03444	8.4
57.07066	15.8
61.02935	8.2
62.06089	15.1
67.05500	49.2
69.03421	7.9
69.07068	52.3
70.92167	7.3
71.08615	12.4
71.57542	10.8
79.05479	29.8
81.07057	86.6
83.08617	50.1
85.02902	19.3
85.10210	6.8
91.05461	7.9
93.07043	39.6
95.08614	55.5
95.09174	10.3
97.06506	13.6
97.10146	23.6
98.21106	8.6
104.64401	7.1
105.07058	7.0
107.08584	33.5
109.10143	31.8
111.08042	8.9
121.10148	82.2
123.11690	24.2
135.11699	60.1
137.13292	15.5
146.01437	7.1
149.13286	18.2
161.23947	7.3
163.14801	14.1
166.62944	7.7
171.71477	8.2
219.21083	61.2
237.22148	100.0
255.23227	24.5
311.25827	69.8
329.26849	27.6
337.27634	8.1
363.25485	10.3
381.26355	20.0
399.27264	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	508.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	30.2
56.03938	4.8
57.03417	11.8
57.07067	15.4
58.59818	4.6
60.08146	6.3
61.38906	4.4
62.32667	4.4
67.05508	41.2
69.07058	42.6
70.46947	11.1
70.47311	9.8
73.02917	5.6
79.05489	20.8
81.07053	51.8
83.08615	40.2
85.02871	5.7
86.09692	20.1
86.31662	4.9
93.07056	35.0
95.08604	44.6
97.06520	12.2
97.10168	28.5
98.21053	7.4
104.10740	36.2
107.08617	29.8
109.10133	19.7
111.08072	12.5
112.75020	5.4
121.10122	44.8
123.11708	17.8
124.99993	11.6
125.09587	6.5
135.11676	43.0
137.13229	13.5
139.11176	5.1
143.93796	5.1
149.13251	13.7
153.12769	5.7
163.03812	5.9
163.14847	9.0
184.07335	41.6
219.21034	50.7
225.53841	5.1
237.22136	100.0
250.87280	5.2
254.05681	4.9
255.23230	20.3
311.25769	65.3
329.26633	28.3
407.91583	5.3
461.31497	5.0
508.34396	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	510.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.05509	15.3
57.03435	4.5
57.07078	100.0
61.02931	1.7
67.05504	33.8
69.03437	16.9
69.07067	19.1
71.05000	2.4
71.08634	80.8
71.58855	2.2
73.02895	1.5
77.06523	1.5
79.05477	2.2
81.03423	14.9
81.07059	46.3
83.08624	32.9
85.02908	31.5
85.10183	47.3
90.17931	1.7
93.07050	1.9
95.08611	68.5
97.02908	22.2
97.10160	13.3
99.04443	8.1
104.10741	2.2
109.02883	10.9
109.10158	34.7
111.11725	3.8
123.11726	11.8
125.13281	2.8
127.03925	29.0
137.13278	5.7
141.88919	1.5
145.04971	24.2
151.14827	4.2
216.75146	1.8
221.22607	4.8
237.22197	1.8
239.23711	85.1
257.24771	6.5
313.27414	25.3
329.27130	2.5
331.28445	4.8
341.26743	3.7
362.01022	2.0
383.27954	57.2
401.28992	95.7
423.87454	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3651
Annotation	Chrysosporide
Peak:m/z	Relative Intensity
55.05501	2.3
57.03454	2.0
57.07072	13.4
58.06610	1.6
60.08164	18.3
67.05494	6.0
69.07069	3.2
71.07371	5.1
71.08640	12.3
71.19347	1.7
71.19689	1.3
74.92576	1.2
81.07056	7.0
83.08608	3.4
85.10181	7.0
86.09711	51.0
95.08607	8.9
96.94468	1.2
97.10167	2.3
98.98466	4.2
104.10748	100.0
104.66061	1.2
109.10177	4.6
111.11755	1.4
125.00012	30.1
163.13966	1.2
184.07352	96.3
239.23746	9.1
252.47934	1.4
313.27319	26.8
313.30728	2.3
325.90585	1.4
327.28952	2.6
331.28500	3.4
445.39569	1.3
457.30209	1.5
492.34610	7.4
510.35559	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2719
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.02810	1.4
51.86028	1.6
53.03940	2.2
55.05518	10.4
55.92339	1.3
57.03437	8.3
62.89851	1.5
65.03938	2.5
67.05167	2.6
67.05508	33.9
67.05862	2.0
69.07073	11.3
69.47815	2.7
69.48217	9.0
70.81747	1.3
75.25603	1.6
79.05502	24.0
81.06577	2.0
81.07063	38.2
81.58487	1.6
83.08615	5.9
85.06548	1.5
91.05487	13.9
93.07050	29.2
95.04950	2.6
95.08619	30.8
98.20927	4.8
98.21495	1.7
98.97849	3.2
98.98474	47.3
100.58435	1.8
105.07042	12.7
107.08602	15.1
109.06560	2.1
109.10164	9.7
117.07059	3.0
119.08578	10.6
121.10164	10.3
123.11713	3.9
131.08571	6.6
133.10152	8.3
135.11711	7.7
145.10112	4.4
147.11676	6.4
147.55057	1.5
149.13223	6.0
155.01056	13.2
159.11684	3.5
161.13287	4.7
163.14822	2.2
173.02118	5.4
173.13251	4.1
175.14818	2.5
187.14798	2.5
229.04811	1.6
243.21123	6.7
247.05756	3.3
261.22180	11.7
264.50104	1.8
309.99966	1.5
317.24850	10.0
335.25809	100.0
471.24911	3.4
518.17377	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.05489	1.2
56.05028	1.5
61.02914	1.3
62.06060	0.8
63.02354	0.9
65.03952	3.4
66.69825	0.6
67.05505	0.8
69.03418	1.5
70.06590	8.3
70.18559	2.6
71.06889	0.6
72.08144	2.8
74.06034	1.0
79.05497	5.6
80.05007	1.4
81.03421	3.4
81.05784	1.8
81.07047	1.1
82.06557	0.8
84.04506	3.5
84.08150	4.9
85.02887	2.3
86.09724	2.9
89.03912	6.6
91.05456	2.0
92.05017	6.2
94.06551	2.1
95.04951	2.5
96.08128	7.0
97.02887	1.4
98.06030	0.8
99.04435	0.7
102.05542	1.1
103.05474	0.6
105.07011	0.8
106.06554	39.9
107.02615	0.6
107.04958	0.7
108.08117	9.9
109.02907	1.5
109.05267	1.1
111.04443	0.6
112.07581	1.9
116.07056	1.0
117.02611	1.1
117.03387	18.2
119.08556	0.8
120.08115	4.2
122.06009	0.6
122.07141	0.9
123.06831	5.0
124.07592	28.4
125.65337	0.6
129.06943	0.7
129.10252	2.1
130.06540	1.4
134.06017	26.4
135.04427	1.2
136.07568	3.0
137.05969	1.2
140.07066	1.2
145.02849	48.5
148.07594	0.7
149.05972	5.4
151.03804	1.2
152.07069	66.6
160.07608	0.8
170.08124	49.7
177.05470	100.0
178.05869	0.9
183.14917	0.7
186.05507	1.0
204.06561	1.2
211.07494	0.7
236.16495	0.7
238.95580	0.8
248.07851	0.6
250.08737	1.7
267.08920	1.1
267.16031	1.1
273.47403	0.7
282.11288	2.2
310.10855	3.1
310.13980	0.7
314.12354	1.8
321.09561	4.4
328.11932	1.6
328.21167	1.2
329.11206	1.3
332.13419	10.1
339.10757	3.4
346.22287	5.7
370.12192	0.7
490.17123	21.3
508.18146	43.5
508.27313	2.5
509.18396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.5
55.01859	4.7
55.05521	20.5
57.03431	8.8
57.07065	14.6
59.98246	4.4
67.05508	91.8
69.03408	5.4
69.07076	21.8
70.10284	18.5
79.05494	33.3
81.03423	7.3
81.07063	100.0
83.08609	14.0
85.02914	10.1
85.67448	3.8
91.05479	31.7
93.07048	32.0
95.04927	6.7
95.08613	76.0
96.08946	5.2
97.02891	3.8
97.06584	4.4
97.10155	5.4
98.20908	6.8
98.21414	4.9
98.98473	27.3
99.08066	5.2
100.58958	4.0
102.40488	4.0
105.07020	19.9
107.08612	21.8
109.06513	4.2
109.10165	33.0
113.09700	8.8
117.07024	6.2
119.08618	21.9
121.10132	27.6
121.26268	4.5
123.11708	18.4
127.11178	6.2
131.08553	5.2
133.10146	29.4
135.11697	19.8
137.13242	16.9
145.10110	5.6
147.11693	13.0
149.13232	7.8
151.11194	6.6
151.14824	10.1
161.13278	14.5
162.97981	3.7
175.14850	9.5
217.19527	69.3
235.20567	79.3
244.70168	4.6
259.20447	5.8
309.24237	22.5
325.21417	6.0
334.24496	18.7
335.25827	12.0
343.22952	6.5
361.23816	9.6
379.24628	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	506.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.7
57.03427	9.3
57.07066	9.0
61.02899	6.3
67.05167	6.0
67.05505	75.1
69.07067	23.0
70.48283	7.3
70.48650	7.3
71.08621	5.2
75.37128	3.6
79.05487	25.0
81.07061	100.0
83.08601	8.5
85.02914	6.5
85.06545	6.7
85.10181	5.4
91.03970	5.0
91.05489	24.1
93.07047	25.9
95.02773	3.2
95.07366	3.3
95.08064	4.8
95.08614	68.1
95.52560	2.9
97.06526	8.4
97.10175	6.3
98.20807	4.4
98.21342	5.1
99.08087	11.8
104.10764	5.8
105.07048	14.9
107.08564	16.6
109.10155	29.4
111.08043	4.4
111.11729	3.8
113.09657	8.5
113.18307	2.9
119.08545	19.1
121.10152	21.7
123.11717	14.6
127.11199	7.2
133.10143	23.4
135.11699	23.3
137.13274	21.6
147.11691	18.5
149.13245	6.2
149.31036	3.2
151.14836	14.1
159.11873	3.7
161.13234	16.5
163.54893	3.5
175.14806	8.4
184.07320	10.6
217.19548	88.2
235.20575	95.7
245.62672	3.3
309.24261	54.8
327.25217	3.9
334.24500	3.5
397.10312	3.2
521.66937	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	507.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80948	0.8
55.05509	4.4
57.03437	4.6
57.06819	1.2
57.07081	19.4
66.68197	0.8
67.05514	6.0
69.07059	4.5
71.08639	12.8
71.58010	0.8
74.85378	0.8
79.05482	1.7
81.07069	7.8
83.08631	5.0
83.09039	0.9
85.10196	5.9
89.06032	2.5
92.31400	0.8
93.07050	1.5
95.08611	8.9
97.06513	1.0
97.10153	3.2
103.07536	0.9
105.07055	1.0
107.08595	1.7
109.10152	4.3
115.03667	1.4
121.10159	0.9
123.11743	1.4
125.09653	1.4
135.11734	0.9
145.10167	1.0
153.57704	0.8
176.99258	2.6
189.11301	0.9
195.00317	100.0
213.00150	0.8
257.24747	0.9
269.03839	1.0
313.27371	26.5
507.26666	12.1
507.33304	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	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.8
52.33309	0.6
52.83506	0.7
53.03936	3.4
55.01870	6.0
55.05511	40.2
57.03425	3.0
57.07073	13.3
65.03932	1.7
67.05505	39.9
69.07070	47.5
71.04978	2.9
71.07174	1.6
71.08630	9.5
79.05490	29.5
80.79565	0.6
81.03403	2.8
81.07057	55.1
83.04975	5.5
83.08620	41.3
85.06551	3.0
85.10178	3.0
91.05479	15.8
93.07046	34.3
95.04984	4.6
95.08613	14.6
97.06527	8.1
97.10173	24.4
97.10658	0.4
98.21237	0.8
99.08087	1.9
103.75858	0.6
105.07030	6.5
106.38999	0.7
107.08595	20.2
109.06531	1.4
109.10179	4.4
110.37277	0.7
111.08090	5.1
111.11730	7.8
117.07024	6.1
119.08576	1.2
121.06495	1.5
121.10159	11.3
123.11746	3.4
125.09626	0.9
125.13305	1.9
127.07540	0.7
129.06970	0.9
131.08537	5.5
133.10133	6.4
133.78870	0.8
135.08081	1.2
135.11693	8.2
137.13226	0.8
139.11191	1.4
147.11674	1.3
149.09612	0.8
149.13263	18.6
151.11261	0.8
157.10252	1.1
159.11699	8.1
177.12776	4.1
195.13794	11.2
213.14824	1.8
219.21120	1.0
237.22154	13.8
255.34160	0.8
295.53302	0.7
310.17191	0.9
324.14801	0.8
493.29095	0.8
505.38889	100.0
506.39325	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.4
62.77509	1.4
70.06575	5.7
71.19894	2.2
72.08153	1.7
80.10663	1.4
81.07039	1.8
84.08123	3.4
85.06538	2.0
86.06082	1.5
86.09682	4.8
91.05468	3.5
98.21259	1.3
100.11257	2.1
117.07011	2.0
120.08102	3.8
129.06570	1.4
130.06514	1.7
137.05992	12.5
149.05910	1.5
150.06773	1.5
151.44991	1.2
153.95125	1.5
154.12215	1.5
173.05951	2.7
177.06902	1.8
179.63741	1.5
186.03110	1.7
191.08371	1.5
201.05519	13.0
203.06908	1.7
205.06442	7.8
213.70111	1.4
221.05954	1.9
222.06781	6.0
233.05878	8.3
234.06760	6.2
237.09102	5.6
247.07584	2.6
249.05614	2.4
249.08897	1.6
250.06268	5.7
251.06897	3.1
261.05453	2.1
262.06339	3.2
262.63638	1.3
264.07840	2.5
265.08588	16.6
270.65424	1.5
277.08472	2.7
278.05710	3.7
279.10019	1.5
290.05673	2.3
292.07388	7.1
293.08051	13.0
297.11057	2.5
305.08145	6.4
307.09631	22.0
310.08191	2.2
325.10703	100.0
326.10849	1.6
337.10699	11.2
338.52005	1.3
355.11627	1.4
374.17319	1.4
444.27167	2.8
482.50021	1.6
506.27353	14.0
506.36176	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	506.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.5
56.05043	9.8
57.42796	0.6
58.06601	3.7
60.04525	25.7
61.02900	0.5
69.07068	0.7
69.80681	1.6
69.81094	2.3
70.02948	1.5
70.06300	0.7
70.06592	7.3
72.08154	41.8
72.74206	0.7
73.04031	1.9
74.06075	28.6
80.04999	0.7
83.06107	1.1
84.04505	13.3
84.08151	3.2
86.09707	29.2
87.05612	1.1
88.03985	1.4
93.07007	1.1
95.08610	0.9
96.08118	1.6
100.04028	0.7
101.07146	26.4
102.05547	16.4
104.05334	1.2
108.08129	1.2
110.09674	6.9
111.04377	0.9
111.05566	0.8
112.07610	3.0
112.11247	2.7
116.07074	1.1
120.08106	2.4
121.19762	0.7
127.12254	0.7
128.10721	20.4
129.06590	10.0
129.10245	8.3
130.04971	1.0
132.10207	20.3
136.06155	0.8
136.07597	1.4
138.09134	1.3
147.07643	21.8
151.03935	3.1
152.04184	1.0
155.11768	4.7
157.06088	3.1
159.09207	1.9
163.03889	1.4
169.09727	1.0
173.12859	100.0
174.13258	0.7
175.07149	39.6
177.05428	1.2
183.11298	2.9
187.10854	0.8
201.12341	36.3
209.09210	1.1
219.13393	13.8
227.10252	0.9
229.11882	1.1
242.15047	0.8
244.13026	1.1
270.14526	11.3
288.15546	22.2
306.16595	32.5
339.16653	1.0
343.11597	1.1
344.12094	2.6
357.17682	5.4
375.18796	2.1
470.26254	3.8
488.26981	3.2
506.17413	0.8
506.28165	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	505.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05514	4.5
57.03426	1.2
57.07083	2.7
67.05510	3.5
69.07075	3.4
71.04966	0.4
71.08638	2.2
71.57993	0.7
79.05521	2.1
81.03434	3.2
81.07068	3.5
83.04964	0.5
83.08619	3.4
85.10170	0.5
89.03929	6.2
91.05477	2.1
93.07045	1.9
95.04964	0.8
95.08636	2.9
97.06509	0.7
97.10169	1.6
103.05463	0.5
105.07056	0.8
105.87906	0.4
107.08609	0.8
109.10188	1.1
117.03392	17.8
117.04234	0.9
119.04906	0.5
119.08595	1.0
121.10179	1.0
131.08592	0.5
134.03633	1.3
135.04408	1.0
135.11679	1.1
145.02858	43.8
147.11679	0.6
149.06000	5.8
162.03104	0.7
163.03941	0.7
176.99281	1.7
177.05482	100.0
178.05782	0.8
186.05469	2.0
193.12321	1.1
195.00319	4.2
195.06630	1.0
237.21973	0.6
251.09198	0.5
290.44431	0.4
300.07010	0.5
300.37250	0.5
311.25784	1.5
395.29871	0.5
413.20547	0.7
441.94244	0.5
487.24142	0.7
505.25223	7.6
505.31909	2.4
505.38828	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72441	0.2
53.03944	0.3
53.36224	0.2
55.01876	0.3
55.05514	3.0
57.03440	1.2
57.07074	1.5
60.64111	0.2
63.02385	0.3
67.05504	5.3
68.22514	0.3
69.07069	2.9
70.76627	0.3
70.76952	0.5
71.08632	0.8
73.32054	0.3
73.71111	0.2
78.04771	0.2
79.05485	2.6
81.03424	1.6
81.07056	3.1
83.08620	2.8
85.10204	0.5
89.03915	5.0
91.05477	2.1
93.07045	2.1
95.04981	0.6
95.08604	2.5
97.06541	0.6
97.10178	1.1
103.05469	0.3
103.77448	0.2
105.07025	1.7
106.04186	0.4
107.04974	0.3
107.08590	1.3
109.10152	3.3
111.08106	0.3
111.11727	0.3
117.03379	16.8
119.08574	1.6
121.10133	1.3
130.06543	3.2
131.08586	0.7
133.10141	1.5
134.03624	1.3
135.04408	1.0
135.11703	0.9
145.02846	40.5
145.10112	0.4
147.11665	1.1
149.05978	5.8
149.13261	0.4
157.10106	0.5
159.11754	0.5
161.13191	0.5
162.03107	0.4
163.03903	0.7
168.02573	0.3
169.10040	0.3
173.11775	0.7
175.14803	0.3
177.05469	100.0
178.05849	0.6
185.13344	0.3
186.05521	2.0
193.12227	0.6
195.00310	1.1
195.06538	1.2
216.87985	0.2
229.14369	1.2
237.22237	0.3
241.19464	0.5
251.09119	0.5
259.20541	1.4
298.73370	0.3
311.25757	0.4
333.24191	0.6
427.02063	0.3
470.01788	0.3
487.33990	0.5
505.24924	1.6
505.31638	2.9
505.38647	1.9
530.76947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3499
Annotation	Yardenone A
Peak:m/z	Relative Intensity
53.03924	1.0
55.01853	0.3
55.05514	5.3
57.03437	0.5
57.07078	4.5
62.18710	0.3
65.03912	0.4
65.54080	0.3
67.05504	6.9
68.86120	0.3
69.07068	5.4
69.50573	2.6
71.04985	0.4
71.08631	2.8
73.15510	0.3
79.05125	0.3
79.05489	3.4
81.03419	5.9
81.07058	7.3
83.04959	0.3
83.08622	6.9
84.11317	0.3
85.06542	0.5
85.10146	1.5
91.05476	2.8
93.06556	0.3
93.07050	3.7
95.04942	1.2
95.08604	3.4
97.10173	3.2
98.20720	0.5
102.57968	0.3
105.07013	1.3
107.04953	0.5
107.07993	0.3
107.08617	2.6
109.06510	0.4
109.10166	2.8
111.08029	1.0
111.11690	0.8
119.08539	1.3
121.10167	1.6
123.11664	0.6
125.09589	0.9
129.06967	0.8
131.08572	0.8
133.06548	0.4
133.10078	1.0
135.11682	0.9
147.11711	0.7
149.09567	0.5
149.13220	1.4
150.25157	0.4
157.10091	1.0
159.11676	0.8
175.11148	0.8
189.11162	0.9
193.12260	4.9
195.09929	10.2
225.02177	0.3
227.12642	0.5
229.14351	0.6
237.22044	0.6
239.23566	0.7
249.14781	0.6
251.12604	3.4
261.22156	0.4
311.25812	2.1
333.23969	1.1
414.10269	0.4
445.20026	0.5
505.34735	100.0
506.34671	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	505.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07523	3.5
53.03949	7.2
55.01875	20.7
55.05296	4.5
55.05515	40.4
57.03439	4.1
57.07054	3.4
65.03940	3.3
67.00836	3.0
67.05172	4.3
67.05505	67.1
69.03429	7.0
69.07067	47.0
69.64384	18.5
70.06589	5.7
71.04991	6.1
71.08551	3.3
72.08141	7.4
76.04450	3.3
79.05499	53.4
81.07061	100.0
83.04960	10.7
83.08630	20.0
85.02883	5.5
85.06535	4.1
91.05473	57.4
93.07047	60.7
95.04965	18.3
95.08054	4.5
95.08614	66.1
97.02876	5.5
97.06520	25.1
97.10172	9.9
98.21088	13.9
99.08074	3.9
105.06380	5.5
105.07030	81.1
106.07352	8.3
107.04956	8.9
107.08589	57.5
108.08916	4.4
109.06483	5.0
109.10154	29.9
111.04417	4.1
111.08067	10.4
115.05466	4.5
117.07009	21.8
119.08591	56.1
120.08916	6.5
121.06496	10.1
121.10165	28.2
123.08068	9.7
123.11710	9.1
125.09641	8.2
127.03882	4.2
128.06210	5.2
129.07024	19.1
130.06558	7.0
131.08563	35.0
133.06519	5.8
133.10129	37.1
135.08098	8.0
135.11697	14.2
137.06050	3.4
137.09592	11.8
141.06987	7.0
142.07771	4.8
143.08537	11.7
145.06583	4.0
145.10101	35.8
147.08052	9.2
147.11711	32.0
149.09622	9.9
149.13293	9.5
153.09038	4.1
155.08508	10.2
157.10149	15.1
159.08076	5.7
159.11696	17.5
161.09569	5.1
161.13245	12.4
162.13574	4.8
163.11226	4.5
165.12700	6.1
165.68039	4.5
169.10126	9.7
171.11688	14.1
173.09767	3.6
173.13222	12.3
175.11118	5.8
175.14813	4.6
177.12701	8.8
181.10194	4.3
181.33600	3.2
183.11685	12.7
185.09686	3.9
185.13191	9.8
187.11148	5.9
187.14876	6.4
193.12308	4.1
195.11760	4.7
197.13286	8.5
199.14766	4.4
201.12848	3.7
203.17908	6.8
204.18303	9.7
209.13202	5.2
211.14771	5.1
221.15326	5.2
222.15828	5.9
223.14861	4.3
257.08069	3.6
257.19052	8.3
275.20081	32.3
277.21524	5.9
284.17291	3.6
293.21042	7.5
301.21707	4.5
327.23199	4.2
333.24255	3.2
339.23322	8.2
375.25058	7.2
423.32474	5.6
433.31009	11.2
451.32166	22.5
459.34833	5.4
469.33289	39.7
487.34341	32.7
505.13638	13.8
505.23965	6.9
505.35498	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	505.1704
Annotation	Umbilicaxanthoside A
Peak:m/z	Relative Intensity
52.03150	0.3
53.03941	0.5
55.01867	0.8
64.13533	0.2
65.03949	2.6
67.05505	1.8
69.03429	0.7
70.06593	1.5
71.01346	0.3
72.08163	0.4
72.14017	0.3
74.06079	0.3
77.03934	0.4
77.55057	0.2
79.05476	0.4
81.03395	0.3
84.04508	0.5
84.08138	0.9
85.02911	1.3
86.09698	1.1
86.51784	0.3
91.03934	0.3
93.03423	2.2
95.04967	1.5
97.02942	0.4
103.05486	2.9
103.65018	0.3
107.04968	0.4
108.02099	2.4
109.02867	0.5
109.06551	0.3
110.03645	0.5
111.04452	4.2
112.01561	0.5
120.08091	0.5
122.03660	0.4
123.04405	0.5
125.06000	4.2
129.10248	0.3
131.04935	5.5
136.01546	0.6
137.05984	5.6
137.07031	0.3
141.05499	3.3
151.03912	100.0
151.05003	7.8
152.04247	0.5
153.05472	7.6
159.04422	0.7
161.05971	0.7
163.07547	7.0
176.04663	0.4
177.05499	0.5
189.05484	1.1
191.07034	9.6
205.06451	0.3
219.06505	5.3
222.06688	0.4
225.09070	0.5
225.64516	0.3
233.06075	0.3
237.09164	0.6
238.06471	0.4
250.06273	0.3
253.08633	1.0
257.08948	0.3
265.08603	1.2
281.07986	1.6
282.08868	0.5
285.11340	0.6
293.08127	0.7
297.07632	0.5
297.11142	0.5
312.09973	1.0
313.10660	1.8
325.10693	0.9
330.12070	0.4
343.11768	59.0
344.12216	1.0
497.27484	0.3
505.17029	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	505.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10892	0.3
53.03931	0.6
55.01879	0.4
55.05536	0.3
61.02933	0.4
67.01867	2.9
67.05492	0.3
68.99767	1.7
69.03428	1.5
70.06570	0.5
70.96181	0.7
79.05489	1.1
81.03428	2.3
81.07057	0.3
85.02905	4.7
86.09696	0.5
87.00822	1.4
91.05471	1.2
93.07014	0.5
95.04957	0.4
95.08598	0.4
97.02899	2.1
97.06539	0.3
99.04436	0.6
103.05466	5.8
105.01866	0.9
105.03409	0.7
105.07045	0.5
107.04930	1.1
109.02876	1.8
111.00826	0.4
117.06998	0.3
123.04402	0.7
125.02345	0.4
127.03926	3.6
129.01831	1.4
130.06544	0.5
131.04927	17.5
145.04965	1.0
145.06505	0.4
147.08057	0.4
151.03882	0.9
153.01828	56.4
159.02892	1.1
159.39027	0.3
163.46700	0.4
171.02885	25.0
173.06021	1.1
179.03462	0.6
186.90269	0.3
195.02953	0.7
215.07004	1.3
231.05028	0.5
257.08087	100.0
258.08392	1.1
299.09143	0.8
365.10165	0.5
493.08188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06741	7.6
55.01883	8.2
55.05506	20.1
65.03931	7.3
67.05515	48.1
69.03423	16.9
69.07078	13.8
69.31868	43.7
69.32288	20.2
70.06582	13.3
79.05492	41.7
80.86989	8.1
81.03446	9.5
81.07063	96.9
83.04978	7.5
83.08618	8.3
84.08139	10.5
85.01089	8.0
85.02901	19.1
87.00829	9.9
91.05458	43.2
93.07043	54.8
94.61166	7.9
95.04945	9.3
95.08602	93.6
97.02900	16.0
105.01888	17.9
105.07027	85.1
107.08600	100.0
108.11237	6.8
109.02896	13.0
109.06506	8.8
109.10173	62.8
117.07037	9.0
119.02113	6.6
119.08592	71.1
121.10146	31.5
123.11713	22.9
127.03899	19.6
131.08574	11.2
133.10149	40.2
135.11707	19.2
145.04927	10.4
147.11694	65.4
161.13289	15.8
163.14789	21.6
203.17950	65.6
231.05060	9.2
486.26395	7.6
504.30472	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	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.1
57.07065	4.6
60.25426	4.3
67.05511	25.6
69.03404	9.3
69.07066	17.5
70.06574	8.1
71.04958	7.7
71.33522	5.3
72.08128	4.9
73.15804	4.6
79.05498	27.0
81.03414	7.6
81.07056	100.0
83.08631	6.2
85.02908	19.0
87.00818	11.4
91.05473	28.8
93.07040	42.1
95.04975	6.8
95.08614	53.6
97.02925	8.3
97.06544	6.6
105.01862	10.7
105.07032	67.7
106.38235	5.1
107.08592	65.9
109.02868	5.2
109.10160	48.7
117.07037	7.0
119.08587	87.2
121.06510	6.6
121.10169	12.9
123.11691	18.6
127.03880	11.7
127.11210	11.9
130.06497	5.0
133.10159	36.7
135.11679	54.5
137.13203	6.7
145.04927	8.4
145.10115	7.6
147.11700	34.8
153.12817	5.9
161.13286	11.9
163.14786	5.2
172.27370	6.9
203.17975	46.4
221.19002	14.7
331.73108	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	504.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35146	1.7
53.03936	2.8
55.01873	1.9
67.05498	3.3
69.03419	4.9
70.06572	4.3
71.04979	2.0
71.08631	46.2
71.58332	2.4
77.39260	1.8
79.05511	1.7
81.03424	5.9
81.07053	5.9
84.04530	2.0
84.08149	2.7
85.01129	1.8
85.02897	10.7
86.09701	3.2
87.00832	5.8
87.65304	1.9
91.05483	2.8
93.07074	2.0
93.41872	1.7
95.08605	4.5
97.02904	13.4
99.08094	100.0
100.11226	3.4
105.01851	5.9
105.07025	3.2
109.02886	7.8
112.11225	2.3
119.08611	2.3
127.03947	10.6
130.06499	3.0
133.07478	1.7
141.12762	2.2
145.04939	2.2
159.13806	67.0
159.15132	4.1
212.72066	1.8
231.04921	2.3
266.08722	7.5
375.18454	2.1
387.70905	2.5
432.30099	1.7
504.28372	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.6
55.05504	8.9
56.05029	8.5
57.03417	2.2
57.07076	4.6
58.29558	2.2
67.05508	23.0
69.03434	4.9
69.07072	21.0
69.44651	7.9
69.45073	13.0
70.06589	7.3
71.04975	5.8
72.08146	3.0
79.05514	13.1
81.03387	3.2
81.07061	49.2
83.06104	45.9
83.08610	9.0
84.04507	100.0
84.08137	6.4
85.02912	5.3
85.06505	2.6
86.09700	4.0
91.05466	9.5
93.07043	25.2
95.04967	7.6
95.08603	52.8
97.02920	2.9
97.06544	7.0
97.10168	10.5
98.21286	9.3
101.07135	24.4
102.05554	14.8
105.07028	18.5
107.08606	25.5
109.06539	5.0
109.10166	39.4
111.08074	3.1
111.11677	3.0
119.08578	17.5
121.10144	23.1
123.08052	4.1
123.11724	20.9
125.09615	3.7
129.05626	2.8
129.06602	77.1
130.05002	93.3
130.05934	5.0
131.08492	3.7
133.10124	9.6
135.08104	3.1
135.11700	14.7
135.12589	2.4
136.06207	3.1
136.07559	3.7
137.05989	10.7
137.09573	3.4
137.13246	10.6
139.11156	3.2
145.10130	8.9
147.07649	69.3
147.11705	12.3
149.09607	3.6
149.13277	9.6
151.11279	3.0
159.11717	7.3
161.13277	7.8
163.11128	6.2
163.14822	5.6
165.12756	4.7
165.16478	4.7
167.05536	3.0
173.13263	3.3
175.07590	3.8
175.14824	6.8
177.16351	2.7
178.37146	2.7
179.14442	3.7
187.14784	5.1
201.16376	3.4
257.22632	8.1
275.23672	16.3
277.25363	6.2
285.22156	6.1
299.06158	3.6
303.23199	37.9
320.25964	13.7
321.24139	5.4
338.26736	5.2
403.29300	5.8
406.29562	3.3
423.32184	9.8
431.29050	30.3
449.30081	31.6
450.28616	5.7
467.31244	25.4
503.24561	20.9
504.25635	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	503.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.7
55.05514	5.6
57.03436	6.0
57.07065	3.4
61.21791	1.0
65.33575	1.1
65.56065	1.0
67.05505	10.9
69.07071	10.2
70.83401	3.0
71.04984	1.8
71.08630	10.9
79.05480	7.8
81.07058	15.8
82.93795	1.1
83.04973	1.7
83.08623	2.8
85.06554	1.2
91.05487	8.0
93.07046	14.9
95.04974	11.4
95.08591	11.1
97.06541	4.7
98.21021	1.7
99.08070	8.1
105.07019	11.5
107.08607	8.7
109.06513	20.7
109.10168	3.1
111.08018	1.8
113.00016	100.0
117.07027	2.6
119.08581	12.7
121.06477	12.5
121.10147	4.5
123.08077	2.9
123.11682	1.4
129.11830	1.0
131.08559	6.7
133.10115	6.8
135.08067	4.1
135.11681	3.4
143.08559	2.0
145.10106	6.2
147.08104	1.1
147.11684	3.3
149.09593	1.9
149.13219	1.7
151.11240	1.3
157.10136	2.4
159.11705	3.4
161.13295	2.3
163.11195	7.6
163.86942	1.1
165.12759	47.0
166.12976	1.1
169.02626	3.1
173.13437	1.0
177.12781	2.3
179.14340	3.0
185.13312	1.4
187.03653	14.5
191.14296	10.7
205.15894	1.7
219.17387	1.7
231.16019	1.1
245.19058	1.1
249.18697	1.5
257.18921	1.7
261.18430	1.8
275.20081	6.9
276.68463	1.1
279.19568	1.4
289.25262	3.5
317.24747	39.6
335.22189	1.7
335.25732	6.5
343.26199	1.3
347.25702	9.6
355.26230	3.4
361.27478	3.5
373.00958	1.1
373.27332	17.0
391.28412	75.2
392.28592	1.9
414.86908	1.1
485.26837	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	7.2
57.03436	0.6
58.06393	0.5
58.06604	6.0
66.94320	0.6
71.02688	0.7
71.03016	0.6
72.08167	3.3
74.01398	0.5
74.06082	39.1
84.04502	2.7
85.04053	0.7
86.06050	0.6
86.09711	2.3
87.05608	0.6
91.05477	8.5
101.07174	0.7
107.04967	4.3
113.07126	2.5
119.04951	10.4
123.04436	2.9
130.05142	0.8
135.06844	0.8
136.07582	100.0
137.06088	0.6
141.06572	1.4
144.56139	0.5
147.04402	2.3
148.07614	0.9
158.09253	1.7
162.05444	1.3
162.09163	1.8
165.05484	10.7
174.09163	2.3
176.10699	1.0
182.06645	0.5
182.08125	18.8
186.08783	1.8
192.10194	1.5
193.09729	30.5
195.08923	2.0
202.08665	5.3
208.09760	0.8
219.11307	1.7
221.09209	16.3
226.11917	0.8
228.06911	2.4
237.12373	3.7
243.19839	0.6
247.10791	2.4
249.12340	0.7
265.11832	17.6
276.13290	2.6
277.11835	1.8
278.11371	0.7
283.12897	30.8
285.15604	2.1
293.11349	2.2
294.14716	0.8
304.12939	1.9
309.69394	0.7
322.13962	11.3
350.13416	2.4
410.79013	0.5
428.18231	2.8
439.19821	2.0
447.51370	0.6
485.20261	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60735	0.8
52.93294	0.9
53.03939	0.9
53.13523	0.7
55.01866	1.1
55.05486	1.0
57.03439	1.2
61.02918	2.5
67.05503	1.3
69.03432	8.3
69.07087	0.9
70.06604	4.4
70.75236	2.4
71.04988	1.6
72.08156	1.9
73.02894	1.0
79.05485	3.3
81.03411	3.9
81.07051	2.7
84.04512	5.3
84.04939	0.9
84.08146	2.6
85.02419	1.3
85.02901	17.7
86.09703	3.4
91.03918	1.1
91.05458	4.0
92.53301	0.9
93.07022	1.3
94.04168	3.0
95.04973	1.4
95.08593	1.5
97.02877	5.6
99.04427	1.4
101.07153	1.0
103.05480	4.0
103.53249	0.8
104.06264	1.6
104.56391	0.8
105.07008	5.1
107.04939	1.6
107.08563	0.8
109.02856	2.0
109.06521	2.9
115.05470	2.2
115.08625	1.0
117.06997	2.1
118.99148	0.8
119.08572	4.3
120.08094	1.1
121.06379	0.9
121.10155	0.9
122.03664	7.3
127.03947	2.6
128.06192	2.1
129.06776	1.3
129.10214	2.4
130.04141	1.1
130.05005	4.2
131.04890	5.3
132.05708	2.1
133.06465	1.7
133.10094	1.0
137.05978	100.0
138.06305	1.1
141.06955	1.3
145.04932	2.2
145.06483	1.5
146.03645	1.1
147.04318	1.2
147.07903	3.2
149.05956	1.8
159.08051	1.8
160.05212	1.6
161.05978	12.7
163.07542	5.4
173.05977	1.6
175.07559	38.0
179.06958	0.9
184.05179	2.4
187.07553	7.6
189.09169	1.8
190.07765	1.7
191.08591	5.2
191.54045	0.8
193.42606	0.9
195.00961	1.0
199.07542	14.4
201.05476	10.0
202.07808	3.9
203.08565	6.2
205.06425	1.0
218.07359	1.1
219.08073	8.6
220.08762	2.5
223.07555	0.8
231.08057	9.0
232.08882	1.4
234.06805	1.2
235.07460	1.8
235.11200	1.1
236.08315	1.7
247.07489	2.5
248.08334	3.8
249.09061	1.7
251.10677	7.5
259.07578	5.4
260.08353	2.0
261.09134	1.5
263.10678	3.7
265.08582	1.4
276.07822	2.3
277.08578	3.2
279.10196	7.2
289.08423	1.2
291.10175	9.8
292.10904	4.7
293.08029	0.9
295.13248	2.4
299.06082	1.3
306.12076	1.1
308.10355	1.9
311.12778	17.4
323.12747	17.8
325.14352	1.1
349.10583	1.2
421.11960	1.0
485.18475	0.9
503.18732	3.8
503.31982	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49332	0.8
56.27682	0.7
61.02927	1.0
69.03439	1.8
70.06580	3.4
71.58101	1.1
72.08158	1.2
77.87648	0.8
78.54631	0.8
79.05489	2.2
81.03416	0.9
81.07059	1.8
81.53544	0.8
84.04502	1.3
84.08147	2.3
85.02901	5.9
86.09708	6.2
91.03921	1.3
91.05492	3.8
93.07038	1.4
94.04201	4.0
94.13606	0.9
97.02905	2.1
98.21078	1.0
102.05570	0.9
103.05471	1.8
104.85052	0.8
105.07046	5.6
107.04951	1.4
107.08554	1.1
107.59510	0.8
109.06532	2.4
115.05462	2.6
117.07052	1.2
119.08596	2.5
119.65417	0.8
120.08083	1.1
121.06470	1.1
122.03652	7.7
127.03873	0.9
128.06236	2.2
129.07074	1.9
129.10237	1.1
130.05057	1.3
131.04921	1.2
132.05716	2.1
133.06497	4.4
137.05980	100.0
143.04944	1.1
147.04391	1.0
147.07973	2.7
149.05977	1.5
151.07510	1.0
155.04903	1.4
156.05684	1.0
157.06445	1.1
159.08067	2.9
160.05222	2.3
161.05994	14.9
161.07253	1.6
163.04056	0.9
163.07495	1.0
171.08000	1.5
172.05209	1.1
175.07564	23.7
177.05499	1.2
184.05104	1.0
187.07562	9.9
189.09093	1.1
190.07764	2.5
191.08578	7.5
199.07564	6.7
201.05482	4.6
202.07825	3.3
203.08560	4.3
205.06708	1.0
208.08809	1.2
218.07204	2.0
219.08043	12.0
220.08725	2.6
221.06061	1.0
231.08096	6.4
236.08357	2.0
245.13042	1.0
247.07518	5.6
248.08319	3.3
251.10661	16.7
259.07538	3.8
260.08325	2.2
262.10013	1.0
263.10684	2.7
264.07953	1.5
265.08563	1.3
276.07788	1.5
277.08557	1.4
279.10220	14.4
281.08185	1.0
291.10168	10.6
292.10931	2.2
293.08093	1.0
295.13208	1.1
296.10547	1.6
299.06146	1.8
308.10034	0.9
311.12775	29.4
321.94379	0.9
323.12750	13.7
341.09750	0.9
341.13727	1.3
356.61755	1.0
401.71475	0.9
485.20120	1.9
503.21051	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	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20259	0.7
55.01851	0.7
55.05511	0.8
56.05028	0.9
67.05486	0.8
69.03424	2.8
70.06582	3.4
71.58183	1.0
72.08154	1.5
79.05486	2.9
81.03418	0.9
81.07070	1.5
84.04506	2.1
84.08132	3.3
85.02908	5.3
86.09707	4.7
91.05456	3.8
94.04182	2.2
97.02889	1.8
102.05486	0.8
103.05450	2.0
104.06258	1.1
105.07043	6.8
109.06493	2.0
110.07203	0.7
115.05458	3.6
116.06274	0.7
117.07011	1.2
119.08592	1.5
119.60287	0.7
120.08069	1.4
122.03660	8.1
127.03943	1.4
128.06216	2.3
129.07016	1.3
129.10225	0.9
130.06506	1.1
131.04933	1.7
131.08548	0.6
132.05687	1.6
133.06512	3.7
133.10167	1.0
135.04324	0.8
137.05977	100.0
141.06935	1.3
143.04877	1.1
145.06477	1.5
146.03593	1.3
147.04398	1.3
147.08037	3.3
149.06006	1.3
155.04843	1.1
159.08075	2.8
160.05199	2.3
161.05981	12.3
163.07538	1.0
165.07198	0.9
172.05208	2.1
173.06013	1.1
173.09514	0.8
175.06024	1.3
175.07550	24.0
179.07104	1.0
184.05273	1.0
187.07559	11.0
189.09125	0.9
190.07817	2.1
191.08563	8.7
199.07561	6.3
201.05481	5.2
202.07750	2.0
203.08582	5.1
205.06604	0.9
208.08990	1.4
217.08606	1.1
218.07339	2.6
219.08063	11.7
220.08841	2.2
231.08104	6.1
232.08873	1.1
235.07430	0.8
236.08247	1.6
246.06651	0.9
247.07547	4.7
248.08339	2.7
249.09172	1.1
251.10657	14.5
259.07498	4.6
260.08365	1.4
263.10687	3.0
264.07773	1.3
265.08643	1.0
271.04626	0.9
276.07751	1.8
277.08640	2.3
279.10153	14.4
280.10831	0.8
281.08124	1.8
291.10086	9.8
292.10959	2.2
295.09814	0.9
295.13208	0.9
296.10510	1.0
308.10321	1.5
311.12766	26.7
323.12762	14.7
341.13876	1.2
485.20245	3.6
503.21014	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	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06892	0.8
55.01860	1.0
65.03934	0.8
69.03422	2.1
69.43935	3.0
69.44350	3.7
76.08215	0.8
79.05490	2.5
85.02915	5.0
91.05470	2.8
94.04189	2.1
97.02879	2.3
98.20927	3.2
103.05457	1.5
105.07033	3.9
107.04963	1.7
115.05467	3.5
116.12838	0.8
116.82205	0.7
117.07030	0.9
119.04974	1.1
119.08591	2.2
122.03678	7.4
128.06224	1.9
129.06995	2.3
131.04942	1.7
132.05721	2.3
133.06499	3.5
137.05981	100.0
138.06380	1.0
145.06480	1.1
146.03667	1.0
147.04427	1.6
147.08073	3.6
149.06017	1.8
159.08069	2.5
160.05179	2.0
161.04784	1.5
161.06001	14.5
175.07558	26.4
184.05151	1.7
187.07559	8.4
190.07784	2.4
191.08566	7.8
199.07597	6.5
202.07726	2.9
203.08569	5.3
208.08955	1.2
211.39711	0.9
218.07292	2.5
219.08040	11.5
220.08810	2.4
230.07690	0.8
231.08076	5.3
232.08757	1.5
233.09714	1.0
236.08469	1.3
247.07483	4.2
248.08315	2.7
251.10649	12.7
259.07541	3.5
260.08435	1.5
261.09268	1.2
262.10110	1.2
263.10684	2.8
264.07803	1.0
265.08475	0.9
276.08044	1.3
277.08612	1.7
279.10165	9.9
280.10907	1.2
291.10144	8.9
292.10886	1.7
296.10559	1.2
311.12778	20.3
323.12793	12.6
324.13138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.5
53.03941	7.4
55.05518	24.4
57.03435	4.7
57.07054	2.6
65.03954	3.5
67.05505	71.3
69.07069	22.3
71.05002	5.8
71.32753	2.5
79.05492	77.7
81.03416	4.8
81.06577	3.7
81.07056	77.2
83.04972	6.0
83.08613	13.6
85.06555	3.0
91.05485	42.1
93.07047	100.0
95.04964	11.6
95.08611	30.9
97.06570	10.2
97.10168	3.4
99.08090	3.2
105.07040	21.9
107.04990	2.5
107.08590	34.6
109.06526	4.8
109.10155	6.6
111.08092	3.7
113.09675	2.3
117.07010	12.2
119.08586	14.3
121.10141	53.1
123.08089	2.4
129.06990	3.8
131.08574	17.7
133.10155	13.0
135.08087	2.2
135.11670	11.5
139.11189	2.8
141.07014	2.1
143.08621	6.6
145.10146	9.2
147.11703	3.7
149.09680	3.3
149.13248	29.2
151.50507	1.9
157.10117	3.1
159.11693	20.0
169.10173	2.7
171.11705	3.8
173.13335	6.8
177.12784	4.1
185.13208	3.9
195.11852	2.8
195.13863	6.1
195.91541	2.1
215.17986	5.4
222.49538	1.9
233.19040	2.6
269.17703	2.8
356.08408	1.9
391.30045	2.1
501.35800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77558	1.2
51.04007	1.1
55.05508	7.1
57.03440	14.7
57.06822	2.3
57.07079	29.2
58.43123	1.3
58.46820	1.0
59.04998	3.6
62.40589	1.1
65.03941	1.3
67.05508	79.6
69.07080	6.2
71.04995	3.2
71.08634	20.8
71.18938	2.7
73.04752	1.5
76.56589	1.3
79.05489	2.3
81.07059	19.5
83.08620	11.1
85.06525	3.9
85.10183	11.4
89.06046	2.8
91.05431	3.6
92.33076	1.2
93.07034	3.7
95.08617	18.1
97.10170	4.5
98.21244	1.7
103.07581	1.4
107.08584	1.8
109.10163	74.8
111.08067	2.8
117.37608	1.2
119.08579	5.0
123.11696	2.7
137.09634	3.1
154.03812	1.3
155.10670	5.0
173.11734	25.9
177.77538	1.3
229.14368	98.4
239.23715	2.2
239.76057	1.2
257.24847	2.0
287.11899	1.3
313.27365	100.0
314.27777	2.0
382.52942	1.4
467.37375	53.6
487.84943	1.5
526.58600	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.5
55.05511	23.7
56.04602	2.0
57.03443	4.9
57.07076	11.1
65.03947	2.7
67.05165	4.8
67.05507	67.3
69.07071	27.0
70.06588	10.1
71.04999	2.6
71.08627	6.2
79.05054	4.3
79.05498	79.0
81.03434	2.7
81.07061	81.7
81.86191	2.0
83.04955	4.3
83.08614	12.0
87.04481	2.5
91.05486	42.6
93.07044	77.6
95.04977	9.4
95.08607	35.0
97.06517	5.4
98.20763	5.2
98.21455	7.6
99.08104	4.3
105.04528	3.1
105.07043	24.7
107.08600	30.9
109.06570	2.7
109.10162	11.4
111.08022	4.8
117.07000	17.4
119.08571	19.2
121.10148	45.4
123.08092	2.9
123.11736	4.5
125.09664	3.3
128.34026	2.4
129.07008	6.7
131.08577	20.4
132.10202	2.8
133.10130	16.4
135.11667	15.1
141.07001	2.6
142.51137	2.6
143.08533	7.0
145.10155	12.5
146.11813	4.4
147.11728	9.9
149.09682	5.2
149.13287	21.5
151.11180	2.9
155.08592	3.2
157.10135	5.7
159.11674	16.8
161.13264	3.6
163.14705	2.6
169.10129	4.7
171.11737	7.5
173.13239	5.4
177.12781	4.4
183.11702	3.2
185.13269	5.6
195.11829	2.8
195.13834	10.8
197.13268	4.0
197.24570	2.3
199.14894	3.6
215.17862	5.6
244.22743	13.3
245.23027	4.5
283.26257	13.0
284.26678	13.9
409.31088	9.3
427.32373	2.7
483.34818	3.6
500.46487	3.2
501.36163	100.0
501.47003	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.05510	15.4
57.03432	8.3
67.05509	34.3
69.07071	13.0
71.01332	1.8
71.04985	2.3
79.05493	36.4
81.03418	2.2
81.07063	33.6
81.10492	1.5
83.05003	1.8
83.08604	8.5
85.06560	2.0
91.05487	24.0
93.07050	43.8
95.05009	4.3
95.08611	21.2
97.06522	3.0
97.10156	3.8
98.20721	3.4
104.85345	1.6
105.07039	21.0
106.60072	1.5
107.04955	2.2
107.08600	14.9
109.06531	1.9
109.10169	6.7
115.05438	2.7
117.07031	10.2
119.08591	13.8
121.10137	17.8
123.08121	2.1
129.07010	8.5
131.08583	20.3
133.10127	10.8
135.08139	1.8
135.10812	1.7
135.11673	9.8
136.87787	1.7
139.11171	1.8
142.07817	1.7
143.08542	10.1
145.10135	15.7
147.11702	5.8
149.09618	2.7
149.13309	4.7
155.08572	5.7
157.10097	7.9
159.11699	15.3
161.13286	4.8
169.10138	4.1
171.11710	7.5
173.13301	8.3
181.10094	2.7
183.11746	4.1
185.13289	5.6
187.14842	4.3
197.13255	3.5
199.14970	3.5
201.16539	2.4
209.13252	2.7
211.14825	3.2
213.16370	2.6
225.16382	1.9
229.49777	1.8
237.16351	2.1
239.17833	1.8
257.19135	1.9
261.22263	2.8
297.21960	2.0
332.07849	1.8
341.25116	1.7
389.27646	1.7
391.30051	4.6
409.31177	15.5
427.32126	3.4
445.32565	2.0
465.32870	1.8
483.34558	5.4
501.35782	100.0
502.35922	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	501.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.9
51.12858	1.4
53.03940	9.6
55.01863	2.0
55.05262	1.7
55.05513	25.9
56.42828	1.2
57.03430	5.5
65.03929	4.7
67.05508	80.6
69.03421	1.3
69.07070	21.7
71.04984	4.8
79.05493	98.8
81.03408	3.0
81.07059	78.9
83.04974	8.2
83.08629	17.0
85.06541	4.4
87.72346	1.4
91.05479	51.6
93.07047	93.4
95.04975	15.0
95.08608	33.3
97.06522	10.8
97.10165	3.0
98.21284	6.9
98.84264	1.3
99.08094	6.8
103.05476	1.3
105.04494	3.2
105.07030	30.1
107.08594	30.6
109.06511	3.8
109.10163	13.0
111.08089	5.5
115.05474	1.4
117.07018	16.6
119.08582	16.9
121.06484	2.9
121.10143	53.2
123.08028	2.3
123.11698	4.9
125.09625	2.7
129.07048	3.8
131.08585	18.1
133.10139	18.4
135.08038	2.7
135.11691	13.3
137.09598	1.5
139.11159	2.5
143.08566	5.9
145.10129	13.5
147.11678	8.4
149.09659	2.5
149.13260	24.4
151.11183	1.4
157.10126	4.1
158.10930	1.5
159.11674	17.1
161.13228	2.0
169.10066	2.5
171.11658	3.8
173.13254	5.6
177.12767	4.5
183.11702	2.4
185.13223	2.9
187.14841	1.7
195.13811	12.3
199.14926	1.6
213.14754	1.7
215.17998	5.2
269.17596	3.7
274.75732	1.5
284.26852	2.3
332.73068	1.5
370.18338	1.4
391.29788	2.4
409.31274	3.9
427.32126	2.3
483.34796	4.3
501.35782	100.0
502.35983	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.8
55.01878	14.9
55.05517	17.8
57.03440	23.9
61.02930	40.1
65.03930	3.1
67.05506	44.4
68.49901	2.9
69.03429	29.4
69.07075	17.4
70.06581	4.8
71.01346	5.1
71.04980	7.6
71.57769	2.9
71.58207	3.7
73.02897	19.5
79.05493	54.9
80.08292	2.8
81.03414	29.4
81.07059	100.0
83.04975	14.4
83.08608	11.9
84.04486	6.5
84.08143	5.6
84.86668	2.8
85.02908	43.5
85.06491	3.3
86.09715	5.6
89.50159	2.9
91.03966	19.2
91.05483	43.3
93.07047	51.8
95.04971	18.2
95.08610	54.7
97.02889	35.2
97.06519	13.3
99.04433	8.2
99.08092	3.1
101.02380	6.9
103.03942	9.8
105.07020	32.4
107.04943	12.5
107.08586	27.9
109.02852	7.1
109.06510	19.4
109.10152	20.1
111.04453	3.0
111.08044	4.3
115.03896	4.0
117.07016	16.2
119.08572	38.4
120.08084	2.8
121.06490	7.6
121.10123	28.5
121.47251	3.6
123.08076	16.7
123.11712	5.6
125.09627	5.6
127.03933	20.1
127.07629	4.0
128.06223	4.1
129.05498	8.1
129.07068	3.9
131.08553	19.2
133.06491	5.4
133.10175	11.3
135.08066	24.7
135.11673	8.7
135.49609	2.9
137.06010	3.4
137.09615	18.6
139.11179	6.7
141.06999	4.0
143.08484	4.7
145.04991	4.3
145.06442	5.1
145.10156	20.0
147.07979	4.2
147.11687	10.8
147.44189	3.0
149.02361	13.0
149.09641	27.0
151.07527	9.4
151.11203	5.7
153.09081	4.4
155.10669	3.3
157.10109	5.4
159.11726	12.2
161.09648	4.1
161.13187	5.4
163.07562	7.4
163.11134	7.5
165.09093	6.8
167.10696	8.1
169.10144	5.2
171.11694	7.1
173.09648	4.7
173.13260	7.6
183.10165	5.6
183.11613	4.9
187.11351	4.2
187.14729	3.8
193.04970	16.4
193.12201	3.7
201.07664	3.3
201.16444	15.0
211.14873	7.0
219.17609	5.7
229.15892	17.5
241.14365	10.5
247.16960	40.1
265.17935	9.0
321.20621	36.5
339.21704	38.6
385.09164	9.0
429.11905	14.3
501.26617	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	501.2823
Annotation	Kadcoccilactone E
Peak:m/z	Relative Intensity
50.27485	1.4
55.05511	3.1
57.03438	54.5
61.02925	11.9
67.05511	2.4
69.07065	3.7
71.31705	3.5
74.09715	9.8
79.05461	2.5
81.07040	3.7
83.08598	2.5
93.07021	2.6
97.24177	1.7
98.98463	28.3
107.08579	1.7
117.05498	100.0
136.66817	1.5
143.08598	2.1
145.10062	1.8
155.01050	17.7
173.02101	4.7
197.02179	3.6
227.82401	1.6
247.05780	4.2
248.21793	1.7
253.04825	7.7
311.25760	5.2
329.26840	34.4
454.01840	1.6
458.23413	2.6
501.27399	1.7
501.34808	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	501.3186
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
55.05502	1.6
57.03435	1.0
57.07065	0.7
59.26525	0.7
67.05502	6.4
67.44116	0.6
69.07076	1.1
69.46783	3.9
69.47209	1.3
70.06561	0.7
71.04989	0.6
79.05492	4.4
81.07061	5.9
87.87415	0.6
91.05460	2.2
93.07051	4.2
94.09885	0.6
95.08599	3.7
97.10133	0.8
98.20757	1.1
105.07001	2.4
107.08554	1.1
109.10158	2.4
117.07024	0.7
119.08581	1.0
121.10138	2.2
131.08565	1.5
133.10097	1.4
133.37651	0.7
145.10104	0.9
149.13196	1.0
192.38048	0.6
195.09937	13.6
244.22668	1.0
245.23225	0.7
251.12549	2.3
283.26328	0.7
284.26633	1.4
307.22568	2.6
329.20831	1.3
355.50616	0.7
368.54001	0.6
375.76324	0.7
409.31018	1.1
472.94302	0.8
501.31726	100.0
501.46619	4.7
502.32016	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	501.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.0
63.65764	1.0
67.05495	7.2
69.07060	2.2
75.93004	1.1
79.05490	6.3
81.07052	7.7
83.08615	1.1
91.05479	3.3
93.07027	5.7
95.08588	3.2
98.21266	6.4
102.15926	1.2
105.06986	1.6
107.08586	3.0
121.10135	3.9
131.08572	1.7
145.10127	1.5
147.11659	1.2
149.13213	1.5
159.11723	1.5
167.06828	6.8
216.26068	1.4
223.09360	1.5
335.25592	1.6
357.24100	1.1
501.31723	100.0
502.32037	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	31.3
67.05511	78.5
69.07071	26.4
69.80703	44.4
71.04968	8.7
81.07027	15.4
83.08618	31.5
97.10181	25.4
98.21136	27.9
109.10160	90.3
117.48917	8.5
119.08640	11.4
173.11758	22.5
184.45363	10.3
211.87630	9.5
229.14371	100.0
241.19331	10.0
286.18234	9.6
311.25769	72.9
465.35623	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
57.48865	0.2
69.03423	0.3
70.06631	1.2
70.06937	1.0
72.08141	0.6
79.05496	0.2
81.03418	0.3
84.04498	0.4
84.08143	0.7
85.02928	0.2
86.09699	0.9
89.03912	0.5
91.05473	2.1
93.07063	0.2
98.21253	0.5
117.03389	1.1
117.05797	1.2
118.06548	9.2
129.10252	0.6
133.07648	0.5
145.02899	2.9
145.07613	100.0
146.07961	0.7
147.05673	0.2
160.97762	0.2
163.08681	12.8
177.05481	3.8
252.55501	0.2
266.20056	0.2
319.85034	0.2
325.14056	1.1
336.06302	0.2
385.16339	0.2
441.16229	0.3
501.18668	16.8
502.18909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.7
55.05505	13.5
57.03452	10.0
59.84879	4.1
65.71663	4.1
67.05501	33.7
67.68082	4.5
69.07055	8.6
70.06578	12.6
70.97828	6.4
70.98176	7.2
71.04978	6.7
71.21711	5.0
71.69349	4.1
79.05495	56.3
81.03401	8.3
81.07056	28.6
83.04967	11.5
83.34904	4.4
84.04534	4.8
85.02901	7.6
91.05472	40.1
93.07039	39.3
94.39118	4.3
95.04970	26.0
95.08597	18.6
97.02888	7.2
97.06550	5.4
99.04444	9.8
100.07594	6.7
105.07000	21.0
107.04945	19.4
107.08593	41.4
109.06520	10.2
109.10138	15.0
117.07005	22.6
119.08557	23.0
121.06511	12.6
123.08073	5.3
128.07057	14.9
129.06929	5.4
130.06482	6.2
131.08594	5.9
133.10129	11.9
135.08049	57.6
135.11700	11.0
137.09622	14.3
145.10161	4.5
147.11682	11.7
153.09071	6.3
157.10217	7.9
163.07556	39.7
163.11166	13.5
165.09090	13.2
165.12709	5.1
175.11221	7.0
175.66762	4.6
181.08586	6.9
193.12250	20.8
199.09680	73.5
211.13226	10.0
227.12781	28.5
243.42456	4.2
255.12259	71.5
256.12650	5.2
257.13849	34.4
267.15887	7.1
274.16534	4.8
280.24002	4.2
283.15359	13.4
285.16809	33.0
369.21707	5.8
370.22256	17.0
465.24841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.5
58.99574	0.4
61.02912	1.0
66.79488	0.4
69.03425	1.1
69.07069	2.9
70.06236	0.7
70.06596	7.8
70.07401	0.5
70.82594	0.3
71.56651	0.6
72.08144	1.2
73.02900	0.5
75.04456	0.3
76.02225	3.2
77.24959	0.4
79.05505	0.4
80.70080	0.4
83.06096	0.5
84.04515	1.7
84.08134	1.8
85.02899	0.7
85.04823	0.6
86.09722	2.4
91.03963	0.6
91.05487	0.9
92.04987	3.1
93.05790	0.6
94.06514	0.4
97.02876	0.5
99.05569	0.5
106.06583	1.2
110.07152	0.6
116.01690	0.7
116.07099	0.5
117.03452	0.4
117.05762	0.7
118.06551	10.8
118.07343	0.8
119.04936	0.9
119.07315	1.7
120.04490	2.1
120.08116	0.9
128.05305	2.0
129.05698	0.7
129.06924	0.5
129.10262	0.9
130.05020	0.9
130.06534	1.6
131.07332	0.6
132.08112	1.3
142.06511	0.5
144.01186	0.5
145.02858	0.6
145.06082	0.6
146.09642	0.4
147.04411	2.0
150.09482	2.1
151.09863	0.6
153.06552	0.7
154.06911	0.6
158.09624	0.7
162.02168	1.2
162.09140	9.9
162.10457	0.6
163.02611	0.4
163.03864	0.9
163.09895	3.0
164.09218	0.4
164.10693	0.7
174.12822	1.9
177.05487	1.0
179.04945	2.1
180.05209	1.3
184.11261	0.5
187.04097	0.4
187.10794	0.8
192.05141	1.6
193.05408	0.7
199.07198	0.5
200.07587	0.4
202.12274	14.6
217.11914	1.6
220.13306	5.0
233.06090	0.5
262.08563	1.8
264.15955	44.0
265.16348	0.8
276.15948	0.7
290.08151	0.5
294.17038	0.9
308.09323	0.5
338.19638	6.9
371.09576	0.8
500.24911	100.0
501.25284	2.7
510.03622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43269	7.0
53.03946	14.3
55.01864	11.4
55.05511	45.5
57.03431	22.4
57.07070	11.2
57.63559	7.8
61.02937	54.5
67.05508	99.0
69.03432	40.4
69.07078	40.4
70.32663	17.1
70.33066	14.8
73.02905	31.0
79.05495	55.8
81.03410	35.1
81.07067	92.1
83.08617	27.2
85.02911	67.5
91.03953	29.6
91.05473	32.7
93.07044	58.3
95.04980	15.0
95.08609	85.2
97.02891	38.4
97.10182	13.8
98.21156	21.6
99.04444	13.6
103.03950	9.8
105.07041	25.3
107.08602	28.1
109.02888	13.1
109.10162	30.5
111.08085	7.9
119.08574	28.4
121.10126	26.6
123.11714	17.7
127.03902	21.1
131.08585	15.1
133.10146	27.5
135.11655	14.0
136.06262	11.4
137.13271	10.1
145.10051	8.4
147.11702	19.9
149.13289	13.9
157.10161	13.6
163.14847	9.5
167.52739	8.3
171.11729	9.9
175.94473	9.8
179.74521	9.0
245.22740	21.5
263.23685	19.8
337.27316	100.0
407.29214	8.6
440.82654	9.9
457.43372	8.8
481.32190	12.3
499.33826	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	499.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.9
55.76791	0.6
63.87876	0.5
68.05022	0.6
69.07098	0.6
70.06593	100.0
70.91087	1.3
72.08157	23.9
75.36570	0.6
81.03450	0.6
82.06596	1.8
84.04530	1.2
84.08137	0.9
85.04047	1.0
86.09714	4.7
87.05580	3.2
88.03992	1.6
91.05463	0.9
93.53625	0.6
94.06603	0.6
96.08136	1.8
98.02422	2.5
98.21103	0.8
99.09223	2.0
111.09220	0.7
116.07118	0.7
124.07628	2.2
127.08678	47.6
128.07117	2.6
129.10306	0.8
130.05017	1.0
130.06502	1.0
132.10213	1.0
136.07637	2.0
137.07085	0.6
139.08685	2.5
141.10226	8.7
152.07077	1.4
153.06659	0.9
155.08160	22.1
166.09793	0.7
167.08128	5.6
169.09747	6.0
173.09331	0.7
174.37177	0.6
183.14912	1.5
184.75540	0.6
186.12381	16.3
192.27353	0.7
197.09233	8.8
209.09332	0.8
212.10361	2.6
214.11888	12.1
216.01913	0.6
229.15475	45.2
230.15872	0.7
236.10391	0.8
236.13997	1.1
237.08682	0.7
240.17078	0.9
254.11407	0.9
268.16623	2.2
269.14993	1.4
271.13977	3.3
282.14435	1.7
286.17618	44.9
296.16235	0.8
337.00711	0.7
367.23538	0.7
385.24576	1.9
395.22955	5.7
464.24850	1.1
481.27896	2.4
482.26129	0.9
499.28699	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	499.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99791	0.8
55.42514	0.9
70.53639	2.6
77.00926	0.8
77.22456	0.8
89.03905	3.8
101.00881	2.9
105.00351	1.2
107.04965	1.0
109.79311	0.9
113.00895	2.0
117.03384	3.4
119.01928	7.7
127.02455	0.9
131.01936	8.6
131.60339	0.8
132.01947	0.9
133.03476	1.9
135.04431	7.7
136.51694	0.9
143.01881	4.3
145.02682	8.0
149.02998	1.9
155.01898	16.9
157.03477	1.1
161.02995	5.8
163.03911	100.0
164.04272	1.0
171.01396	1.4
173.02975	45.6
185.01071	1.6
185.02959	5.2
187.04523	1.1
189.02412	1.1
191.04066	2.2
196.04550	1.2
203.01956	4.9
203.04054	7.2
206.67989	1.0
211.04573	1.0
215.03909	4.2
217.01927	2.1
217.05560	1.5
221.02968	93.6
222.03201	1.9
235.04567	1.1
239.03998	13.0
245.02937	14.6
245.05246	1.1
247.04564	6.6
247.06731	1.4
248.57874	1.0
249.64699	0.9
257.02893	2.0
257.05222	1.4
263.04013	31.2
275.03635	8.7
275.06229	5.2
281.05075	76.6
282.05283	1.8
291.05594	2.7
293.05014	8.3
299.06158	14.0
304.06732	2.4
311.06125	18.5
319.02835	16.3
323.06146	14.1
335.06122	7.4
337.03937	2.4
341.06982	1.4
353.07224	4.0
365.07117	1.0
379.05020	12.5
383.08206	18.3
391.04919	2.3
397.06213	6.3
403.16086	0.9
439.12936	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	499.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60894	7.6
53.03947	9.1
55.05504	11.2
57.03431	16.8
58.77114	7.1
60.75284	8.3
61.02924	9.2
64.16724	9.8
67.05511	47.2
69.03419	33.2
69.07053	21.1
70.06590	20.2
71.04984	22.3
71.57913	8.5
78.80759	7.8
79.05488	43.0
81.03410	34.1
81.07053	56.7
83.08614	13.9
84.04500	17.1
84.08149	18.8
85.02904	61.9
86.09708	13.4
87.00813	18.3
91.05469	28.4
93.07053	43.3
95.04974	11.5
95.08623	68.5
97.02892	24.8
97.06533	19.7
97.10166	10.4
98.21111	10.0
99.04497	11.3
105.07042	45.6
107.08585	58.5
109.02893	15.3
109.06546	12.5
109.10186	40.3
117.07054	8.4
119.08585	100.0
121.06469	12.6
121.10129	29.3
123.08093	9.7
123.11700	18.5
125.09625	18.8
127.03898	33.7
127.11095	8.0
130.06548	11.8
131.08539	21.5
133.10114	29.0
135.08046	15.0
135.11700	11.3
137.09605	9.5
140.70744	7.3
143.08559	10.9
143.10724	14.5
145.10114	24.0
147.11688	73.6
157.10027	7.5
159.11687	28.7
161.09587	12.8
161.13252	69.2
167.10631	10.1
171.11772	10.5
172.45827	8.0
173.11870	7.9
173.13254	20.6
175.14845	18.6
185.13295	11.0
187.14839	9.5
215.17923	14.0
217.19498	13.8
219.17044	8.6
233.19017	27.9
239.92206	8.0
245.18929	9.6
499.25244	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	496.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05518	5.5
57.03440	8.4
63.15932	0.6
63.84936	0.6
65.03915	0.8
67.05507	14.2
67.86683	0.8
69.07078	4.3
69.65810	4.0
79.05493	21.0
79.80624	0.6
81.07057	100.0
83.04990	1.1
83.08617	1.3
91.05465	4.7
92.92724	0.7
93.07042	11.7
95.04977	1.2
95.08607	12.0
97.06505	0.9
97.10188	0.7
99.08092	5.5
105.07024	3.3
107.08598	6.8
109.06504	1.9
109.10155	5.5
117.07006	1.3
119.08589	2.3
121.10153	5.9
123.11716	2.7
127.07561	7.7
131.08595	1.9
133.10141	2.1
135.11688	3.2
145.08611	5.0
145.10146	1.4
147.11711	2.1
149.13303	2.0
159.11697	1.6
161.13220	1.2
163.14864	1.5
173.13303	1.9
187.14856	1.1
201.11221	47.8
201.43275	0.7
243.21094	3.1
261.22083	8.5
290.83911	0.6
317.24875	1.2
335.25797	36.1
369.27969	1.0
461.32599	12.8
461.38931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.5
56.96574	10.8
60.82255	1.5
65.70688	1.5
70.02944	3.1
70.06594	2.6
71.58057	1.9
74.00648	2.0
74.02442	1.4
76.04002	4.1
77.56748	1.8
84.04501	3.9
85.04014	6.6
89.03895	3.6
90.46896	1.4
91.05460	1.5
98.97578	4.8
99.05556	4.2
101.00843	2.4
107.04961	2.3
110.07141	2.4
110.97574	3.5
112.07619	1.7
113.00811	1.5
113.03549	2.2
116.98647	2.6
117.03387	4.6
118.50668	1.3
119.01910	8.4
128.98608	5.5
130.04993	5.2
131.01964	7.5
131.04520	2.1
133.97273	1.7
135.04436	10.7
135.05348	2.2
136.06139	1.8
143.01964	4.1
145.02765	10.2
145.06088	28.1
146.99686	4.6
147.04408	6.5
155.01888	11.1
155.08092	1.4
161.01163	1.8
161.02957	4.0
163.03903	100.0
164.66457	1.7
165.00824	1.7
170.36871	1.6
170.99715	2.9
173.02965	30.8
177.00732	2.2
177.03294	16.8
181.06152	2.5
185.01102	1.5
185.02890	4.4
187.04573	2.7
189.00717	4.1
191.04082	1.5
195.03351	1.7
203.01981	3.3
203.04044	6.0
213.04312	2.7
215.03999	4.2
217.01866	1.9
221.02962	78.1
237.00240	4.1
239.01979	14.8
239.04065	8.8
244.04561	2.2
245.02960	9.5
245.05058	1.9
247.04555	7.3
255.01732	2.4
257.03003	12.0
263.04080	23.3
273.02786	1.7
274.10220	2.4
275.03824	7.2
275.06259	4.5
281.05222	47.9
285.10727	1.5
291.03534	2.6
293.04965	5.2
299.06274	9.7
304.06491	2.3
311.06238	12.6
319.02872	11.9
323.06348	12.7
335.06085	4.9
352.04459	2.3
353.06699	2.8
379.05203	11.0
383.08319	17.1
397.06204	7.5
416.57980	1.7
475.45605	1.6
499.11063	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	496.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.05516	14.6
57.03442	14.1
57.07072	3.9
59.05003	2.1
65.03948	2.1
67.05508	100.0
68.76439	1.4
69.07079	4.7
71.04986	4.2
71.08624	2.2
79.05499	35.9
81.07060	33.9
83.08631	6.1
85.06564	3.6
85.10230	1.5
89.06028	4.2
91.05471	19.4
93.07046	33.9
95.04951	4.6
95.08616	18.9
97.06523	1.8
98.21124	11.0
99.08080	2.8
102.93109	1.7
104.61666	1.7
105.06373	1.4
105.07008	8.5
107.08601	10.9
109.10163	62.7
109.10919	3.3
111.08083	2.9
117.06992	2.8
119.08582	8.1
121.10159	15.3
123.08090	1.7
123.11714	4.4
131.08556	6.9
133.08614	3.1
133.10146	4.4
135.11691	10.6
137.09608	3.7
145.10170	5.1
147.11699	3.8
149.13263	6.2
151.34456	1.6
155.10725	6.1
159.11688	5.3
173.11765	20.5
173.13170	3.3
205.32430	1.6
215.17972	13.2
229.12077	3.7
229.14368	69.5
233.19002	13.2
283.17456	2.0
285.75681	1.5
307.22678	73.2
316.89917	1.4
371.78036	1.5
461.32675	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
56.05042	0.5
57.03442	0.2
57.07071	0.7
57.10036	0.2
58.06615	0.3
60.08165	6.6
60.08470	0.3
63.82232	0.2
67.05499	0.4
69.07056	0.2
71.07372	2.8
71.08643	0.4
71.58528	0.2
75.59055	0.2
75.80105	0.2
81.07063	0.6
86.09707	29.5
89.06044	0.3
95.08606	0.3
97.35292	0.2
98.98463	2.3
104.10743	2.7
109.49320	0.2
125.00008	19.3
130.06572	0.2
133.10147	0.3
166.02654	0.2
184.07343	100.0
185.07660	0.4
313.27509	0.4
478.32971	1.1
496.34119	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	496.3398
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05505	0.5
56.05033	1.2
57.03429	0.5
57.07074	3.0
58.06569	1.2
59.07379	0.3
60.08162	18.0
60.23574	0.1
63.66296	0.1
65.94479	0.1
67.05491	0.6
69.07071	0.4
69.59170	1.1
70.06586	0.4
71.07371	6.5
71.08624	1.7
73.87552	0.2
81.07063	1.0
83.08617	0.6
85.10189	1.0
86.09703	50.9
87.10036	0.3
89.05994	0.2
95.08601	1.1
98.98460	4.0
104.10741	100.0
105.11061	0.4
109.10154	0.6
118.71357	0.1
123.11720	0.3
125.00001	27.7
143.01021	0.3
163.01540	0.8
166.02692	0.2
181.02621	0.2
184.07333	94.0
185.07626	0.3
240.09946	0.2
253.46898	0.2
258.11029	1.1
313.27374	1.6
419.25607	0.3
478.27206	0.2
478.32922	8.3
496.33960	27.1
497.34335	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.01866	2.0
62.41704	1.0
67.05499	1.0
69.55786	1.5
69.56194	4.6
70.06595	5.3
72.08143	1.5
74.23589	0.9
79.05484	2.9
81.03411	1.4
81.07032	1.9
84.04489	1.3
84.08118	2.9
85.02890	1.4
86.09682	2.6
91.05462	2.0
93.07016	2.3
93.86888	0.9
94.06564	2.2
95.04969	2.9
95.08640	0.9
96.08104	1.7
98.20773	2.1
98.21415	2.1
104.05018	5.6
105.07040	1.7
107.03587	1.0
107.07333	2.2
108.08117	15.8
110.07179	1.4
112.07600	2.7
120.04444	3.9
120.08093	19.2
121.08913	7.7
122.06030	42.5
123.08067	6.7
124.07582	9.9
125.52178	1.0
129.10216	1.9
130.06506	5.3
132.08105	1.5
134.06007	1.3
134.09657	9.0
135.06787	2.4
135.07880	1.2
136.07590	1.8
137.06003	1.1
138.09138	31.9
141.75792	0.9
144.07973	1.1
145.06450	1.1
146.05884	1.6
147.04243	1.1
147.08003	1.5
148.07574	49.1
150.09111	2.9
159.09154	1.2
159.29837	0.9
160.07556	1.0
162.05476	3.8
162.09140	9.5
163.03888	1.3
164.07028	1.0
166.08658	12.4
168.07983	1.0
168.10201	17.0
170.09718	3.3
180.10197	77.0
181.10522	1.2
182.09550	1.3
184.11261	1.4
185.10794	1.0
190.08693	6.0
192.10208	2.4
197.10513	1.1
198.09239	1.3
199.12256	2.4
200.07399	4.4
206.08116	3.8
208.09692	100.0
209.10126	1.6
210.09158	11.8
210.11069	1.7
212.09099	2.0
212.10957	2.0
213.10202	3.1
214.10945	2.0
215.07048	1.9
215.11790	1.6
221.00587	2.6
224.10751	3.2
227.11783	20.9
228.12521	1.2
229.10915	2.3
229.13165	1.7
230.11748	3.2
241.09645	3.0
241.13371	2.3
243.11372	1.2
246.13612	2.0
251.11757	6.6
252.10146	2.6
252.12605	2.7
255.11270	3.3
256.12018	3.5
269.12857	9.0
270.11237	3.2
271.10742	2.0
271.14368	3.3
272.12918	14.0
272.15451	1.4
281.10181	2.0
283.14352	1.7
286.13123	1.7
287.13882	20.0
289.12314	1.6
289.15466	33.6
299.13342	1.4
301.15442	3.0
311.13898	42.6
314.12573	3.1
315.13278	5.5
329.14960	35.6
362.10645	1.6
433.15369	1.0
436.22162	2.6
452.19241	1.5
478.23312	5.8
496.17734	1.7
496.24609	5.1
497.23306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
56.05022	0.8
58.06602	0.6
60.08167	6.0
67.05507	0.8
69.07061	0.6
71.07372	2.8
71.58268	0.4
76.07401	0.3
81.07037	1.5
86.09709	28.2
88.07600	0.5
93.07019	0.5
95.08582	0.7
98.98474	2.7
104.10740	3.6
105.07039	0.6
114.41406	0.4
125.00013	17.5
140.83545	0.4
149.02339	1.5
184.07347	100.0
188.23215	0.4
193.04970	1.6
237.07526	1.1
256.40689	0.4
284.29465	0.6
323.32959	0.4
459.27264	0.5
476.31158	0.9
494.34430	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	494.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
56.05029	0.7
57.07066	0.4
57.23649	0.4
58.06611	0.7
58.91344	0.4
60.08165	6.0
67.05497	1.0
69.07048	0.6
70.97878	0.7
71.07370	3.3
73.90981	0.3
75.84366	0.3
79.05482	1.0
81.07056	1.9
83.08604	0.5
86.09709	30.6
87.74760	0.4
87.96107	0.3
88.07618	0.6
91.05469	0.8
93.07108	0.4
94.22461	0.3
95.08575	0.4
97.06535	0.4
98.21013	0.5
98.98478	2.4
102.09219	0.4
104.10736	2.9
105.07049	0.6
107.08585	0.8
109.10175	0.5
119.08552	0.5
120.44701	0.4
125.00011	21.3
131.08583	0.4
133.10078	0.4
149.02328	1.8
184.07349	100.0
185.07784	0.6
193.04970	1.1
195.92648	0.5
215.14320	0.4
237.07545	1.1
284.29358	1.0
309.57455	0.4
378.80026	0.4
411.86807	0.4
459.27423	0.7
476.31229	1.1
494.34152	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	496.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16145	0.3
55.01883	0.5
56.05043	0.5
56.51565	0.3
58.99583	4.2
60.58724	0.3
64.35357	0.3
68.05031	0.4
69.25349	0.3
70.02946	3.1
70.06583	0.8
70.83767	0.9
74.00668	5.1
74.85694	0.3
76.02228	6.7
76.04009	7.4
80.05019	0.3
83.06101	1.3
84.04506	12.7
84.08137	0.4
85.02882	0.4
86.09702	0.6
86.99061	1.6
88.02223	1.8
88.04010	0.5
91.96295	0.4
92.11732	0.3
93.97846	1.0
95.04964	0.4
98.20795	0.3
99.05576	4.7
101.01729	4.9
101.76887	0.3
103.05486	1.7
107.06064	1.8
108.04533	0.4
116.01681	11.1
116.03461	0.3
117.25568	0.3
117.97829	22.4
123.47983	0.3
127.05016	0.6
129.05728	0.3
129.06583	1.5
130.05133	6.3
130.06529	99.9
131.06885	0.8
135.00462	10.2
135.05530	0.4
136.01842	0.3
136.61282	0.3
142.03220	4.6
144.01147	1.7
145.06096	6.7
145.07112	0.2
145.97266	0.4
146.18144	0.3
153.06587	7.0
154.04964	0.7
162.02199	3.2
162.99953	3.0
163.98357	1.1
170.02740	1.7
174.99962	8.9
179.04895	1.3
181.06110	1.5
186.11050	0.4
187.05363	0.5
191.03354	0.5
193.01003	1.4
199.05421	0.4
199.07127	8.8
200.07355	1.1
202.99443	4.8
204.04375	3.0
221.00496	100.0
222.00769	0.5
229.00995	0.5
233.05922	1.4
238.03149	8.8
245.05907	1.9
256.09366	0.7
257.07654	1.0
274.10461	0.5
275.01501	1.2
292.04150	8.8
293.35294	0.3
308.09125	0.7
341.93634	0.3
350.32410	0.3
362.10583	0.9
367.07404	24.2
368.07706	0.6
421.09912	0.5
496.18851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	2.0
57.03430	2.0
60.04516	5.6
61.12936	1.7
67.05520	4.8
69.03420	4.3
69.07065	2.8
69.24426	20.4
70.06590	6.6
73.02897	1.9
79.05494	8.7
81.03406	3.3
81.07051	8.2
82.06550	2.3
83.04986	1.9
84.04499	2.0
84.08140	2.3
85.02901	7.4
86.09702	6.3
87.02688	3.2
91.05479	5.5
93.07035	22.6
95.01327	3.8
95.04986	3.2
95.08611	6.6
97.02895	2.6
97.06507	2.0
98.21123	9.8
99.04449	4.3
105.07032	18.1
107.04939	2.3
107.08588	37.9
108.08118	2.1
109.06500	3.4
109.10172	2.4
111.08076	2.5
112.07574	1.8
113.88043	1.7
119.08585	11.3
121.06494	12.8
121.10129	16.0
126.24431	1.9
130.06509	2.3
132.38284	1.9
133.10130	7.1
135.08069	7.1
135.11664	9.0
137.05966	3.7
140.09999	1.9
141.01785	3.5
145.10130	16.7
147.11681	4.1
149.09604	10.9
154.08664	3.3
163.11174	34.1
172.09723	2.3
173.09695	2.6
175.14857	5.8
181.12277	2.3
191.10678	23.2
193.15869	3.5
195.12166	1.9
195.14192	1.7
204.87187	2.0
209.11766	4.6
211.16840	3.7
211.34511	1.8
214.12228	2.5
216.13879	5.9
227.12839	7.2
241.54530	1.9
260.12848	5.5
265.14337	9.0
276.10394	3.0
283.15390	100.0
292.09930	8.6
405.06241	2.0
405.14566	2.8
421.14157	7.2
422.29083	2.0
423.60114	2.2
440.30222	13.0
441.17480	3.1
458.31058	6.5
459.18570	14.8
494.17459	4.4
494.23633	6.1
495.18018	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3242
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05503	1.5
56.05034	1.3
57.07080	0.9
58.06599	1.1
60.08166	16.5
65.83936	0.4
66.72702	0.4
67.05505	1.4
69.07083	2.2
70.06593	1.0
71.07374	6.5
71.08643	0.5
79.05493	1.3
81.07056	3.1
83.08627	1.9
86.09708	44.5
86.56564	0.5
93.07067	1.4
94.81602	0.4
95.08616	1.5
98.21476	1.5
98.98459	3.5
104.10748	100.0
105.11098	0.5
107.08613	0.6
114.22266	0.4
121.10143	1.3
125.00007	27.7
125.09616	0.4
133.50952	0.4
135.11667	0.8
149.02383	0.6
163.01582	0.7
184.07346	95.1
193.04985	0.9
237.07471	0.6
258.10944	0.7
311.25882	2.2
311.49356	0.5
327.47525	0.5
476.31387	8.8
494.32361	25.4
495.33133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76942	4.5
55.05513	7.0
57.06857	4.7
57.07082	48.5
66.98500	3.8
67.05505	18.5
69.07058	14.7
69.34701	32.9
69.35106	7.2
71.08627	46.3
81.07045	31.1
82.48026	5.6
83.08620	18.2
85.10182	22.2
90.14425	3.8
91.05485	5.9
93.07044	10.8
95.08617	38.5
96.08443	5.1
97.10192	10.2
97.16122	4.0
98.21444	9.6
109.10160	22.4
111.11759	5.6
123.11737	6.8
125.84968	4.2
145.10129	4.7
207.67021	4.4
239.23705	45.0
256.32974	4.1
310.23410	4.4
313.27380	100.0
493.31268	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	493.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.1
57.03452	4.3
57.06820	3.7
57.07078	44.1
58.06598	4.7
59.90405	2.5
61.02898	4.2
67.05496	19.0
69.03372	3.1
69.07070	10.9
71.08628	36.7
71.58184	4.6
72.72218	2.7
79.05501	3.1
81.07051	20.3
83.08620	12.6
85.10182	20.7
87.37816	2.5
93.07024	3.7
95.08613	26.7
97.10159	6.2
107.08591	3.3
109.10152	19.2
123.11683	8.5
124.29778	2.5
239.23715	29.4
257.24747	5.0
313.27344	100.0
347.17224	3.9
493.33456	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	489.3575
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03941	2.3
55.05516	15.5
57.03439	3.0
57.07087	2.0
59.05005	3.2
60.63850	1.8
65.03924	3.4
67.05509	100.0
69.07077	15.2
69.34573	14.4
69.34983	3.5
69.99050	2.1
71.04998	3.9
75.36287	2.1
79.05499	32.5
81.07065	42.5
83.08617	7.7
85.06525	3.6
88.56107	1.7
91.05488	30.7
93.07050	37.9
93.69510	1.8
95.04958	5.7
95.08620	29.9
95.35792	2.1
97.06503	3.6
97.10181	4.1
98.50749	1.8
103.05518	2.2
105.07040	24.0
107.08614	22.8
109.10160	58.1
117.07043	11.2
119.08586	28.1
121.10140	18.2
125.05846	2.1
125.09643	2.2
131.08569	15.1
133.10110	16.4
135.08078	2.1
135.11710	10.4
137.09697	5.0
143.08574	6.0
145.10117	13.2
147.11678	12.8
147.30869	2.5
147.50995	1.9
149.13293	7.4
155.10704	3.6
156.30966	2.1
157.10172	4.7
159.11711	10.7
161.13338	6.7
168.22873	2.0
171.11760	4.8
173.11772	14.5
173.13300	8.1
175.14886	4.1
185.13277	4.9
187.14835	3.4
199.14880	3.2
201.16371	2.8
216.83470	1.8
221.44176	1.8
239.18164	2.2
248.17578	2.0
261.22141	5.2
277.13354	2.3
317.24738	3.1
379.29944	7.6
397.31012	12.2
415.32272	3.5
471.34668	12.9
479.44958	2.2
489.35880	89.8
490.36191	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	492.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.7
56.05046	3.1
57.07066	5.1
58.99590	16.2
60.04502	1.2
60.93579	1.3
63.54124	1.1
67.05502	3.1
69.03421	5.7
69.07071	2.0
69.47507	3.2
69.47906	7.4
71.08334	1.2
71.08641	14.2
74.85878	1.2
76.02233	85.3
76.04004	3.2
79.05508	8.4
81.07067	8.5
83.06099	4.3
84.04037	1.8
84.04510	24.8
85.06545	3.0
86.91332	1.3
86.99055	5.1
88.02213	1.6
91.05467	4.1
93.07050	16.6
93.21029	1.3
95.04900	2.4
95.08628	1.8
97.02905	22.3
97.06531	2.7
98.21021	5.0
99.02669	5.6
99.08110	15.7
100.02197	5.9
105.07027	3.7
107.08606	2.6
111.04459	10.9
113.06010	4.7
116.01693	26.8
116.05378	1.9
116.10722	2.1
120.08092	3.0
121.06506	10.2
121.10149	20.6
122.02727	2.7
125.04218	15.9
125.05969	3.6
126.03760	2.0
128.01663	16.6
129.06616	5.7
129.25067	1.4
130.05014	9.1
131.08582	24.3
139.11169	3.7
141.04823	2.1
142.03177	4.4
144.01151	17.1
149.09628	44.3
162.02217	45.5
166.12263	2.1
167.09293	2.9
167.10696	49.4
170.02718	2.1
171.08427	2.8
179.04863	78.7
179.08989	1.9
181.10452	3.7
183.24542	1.2
185.11752	9.4
187.05368	5.8
189.09433	4.8
196.11537	6.2
203.04874	4.9
215.04996	2.0
217.08958	6.2
224.10983	7.2
225.09477	2.2
231.04379	2.0
233.05905	16.4
242.12111	27.2
245.05969	2.6
251.07013	3.0
252.10481	2.3
260.13214	6.5
270.11835	1.8
288.12802	3.8
308.09109	6.9
327.13757	28.0
345.14804	100.0
363.15851	13.4
399.15820	2.2
417.16983	19.2
445.99854	1.3
474.18570	2.1
492.20541	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	489.3574
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
51.02067	0.9
51.02341	0.9
53.03940	3.5
55.01861	2.5
55.05511	16.6
57.02443	1.0
57.03434	5.4
57.07071	3.3
59.04996	1.5
59.72300	0.9
64.26302	0.8
65.03934	2.9
67.05506	72.4
69.03402	1.0
69.07069	14.5
70.15758	4.8
70.24997	1.0
71.04998	1.3
71.08636	1.5
79.05054	1.9
79.05496	29.7
81.06575	2.2
81.07055	42.6
82.35558	1.1
83.04985	2.8
83.08620	9.6
85.06528	1.9
87.99983	1.1
90.12260	0.9
91.05477	27.6
93.07043	36.0
95.04955	2.6
95.08046	1.8
95.08615	29.8
97.06548	2.8
97.10156	3.8
99.08083	1.7
105.04550	1.1
105.07032	25.9
107.08594	19.0
109.06535	1.5
109.10159	35.5
111.08070	3.0
117.07025	11.0
118.44720	1.0
119.07787	1.8
119.08589	25.8
121.06522	1.1
121.10154	18.6
123.08044	1.5
123.11724	3.6
125.09654	2.0
128.06166	1.0
129.06982	6.8
130.07756	1.5
131.08580	20.8
133.09131	1.1
133.10135	22.0
135.08047	1.8
135.11690	11.8
137.09621	2.1
141.07004	2.0
142.07706	1.1
143.08568	7.2
144.09312	1.1
145.10110	16.3
147.11713	13.7
149.09631	1.7
149.13277	5.7
155.08559	2.9
155.10646	1.2
156.09297	1.0
157.10124	8.2
159.11691	13.4
161.13261	6.9
163.11139	1.7
163.14767	2.3
169.10153	4.1
171.10330	1.3
171.11702	8.4
173.11743	9.2
173.13292	11.1
175.14865	3.9
177.12830	1.4
181.10126	1.4
183.11736	5.0
185.13232	6.3
187.14781	5.8
189.16386	1.6
197.13300	4.0
199.14848	4.1
201.16438	2.3
209.13287	1.7
211.14932	2.2
213.14748	1.5
213.16498	2.5
221.25760	0.9
225.16476	1.7
227.18013	2.0
243.21216	1.1
255.21159	1.8
257.19125	1.4
259.20560	2.1
261.22195	3.1
271.20508	1.3
275.19943	1.9
277.21667	1.2
285.22177	4.0
287.20117	1.3
287.23615	1.5
297.22092	1.6
299.23773	3.6
305.21310	1.4
317.24741	3.2
333.24200	1.3
364.24084	1.3
377.26840	3.1
379.30054	8.0
391.28314	2.7
397.31085	16.7
415.32227	5.5
445.33209	1.4
471.34714	16.9
489.35760	100.0
490.35928	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	489.3576
Annotation	Cimigenol
Peak:m/z	Relative Intensity
52.71351	1.2
53.03934	2.2
55.05513	18.1
57.03424	5.5
57.07075	3.1
62.05574	1.4
65.03950	1.9
65.40735	1.3
67.05508	43.7
69.07069	18.6
70.65096	4.3
71.04981	2.9
79.05500	27.3
81.07059	35.5
83.04963	2.4
83.08636	10.1
85.06553	1.9
91.05481	25.3
93.07043	31.9
95.04961	2.4
95.08613	27.1
97.06541	5.0
97.10171	3.2
99.08118	2.6
105.07040	26.4
107.08596	20.3
108.46954	1.3
109.06548	1.7
109.10168	18.2
111.08152	1.3
117.06998	9.4
119.08595	27.0
121.10145	15.8
123.11712	2.1
129.06981	7.1
131.08571	18.0
133.10136	22.8
135.11717	10.9
137.09677	2.0
139.11162	1.9
141.07057	2.1
142.07878	2.2
143.08540	7.7
145.10133	17.2
147.11697	17.5
149.09674	2.5
149.13298	5.8
155.08571	3.7
157.10118	9.8
159.11707	15.1
161.13237	7.4
163.11223	2.3
163.14845	2.8
169.10118	3.2
171.11702	10.3
173.11772	3.3
173.13277	10.6
175.14835	5.2
177.16570	2.1
183.11714	5.4
185.13290	5.8
187.14822	7.4
189.16402	1.6
197.13342	4.0
199.14864	4.0
201.16402	3.6
203.14293	1.2
203.17955	1.6
209.13170	1.7
211.14784	1.5
213.16418	4.9
215.17902	1.5
225.16364	1.8
227.18025	2.1
231.17522	4.8
239.18242	2.3
241.17876	2.0
245.18921	1.5
259.20609	2.0
264.56421	1.4
271.20575	2.6
273.22009	1.7
285.22192	4.6
289.21597	1.8
299.23770	4.6
312.30511	1.4
335.18872	1.3
363.25467	2.0
377.26895	5.0
379.30017	7.7
391.28339	5.1
397.31052	19.2
405.30286	2.1
415.32147	4.2
433.33112	2.2
471.34720	23.7
489.35828	100.0
490.36075	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	489.3576
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03957	4.5
55.05517	16.5
57.03433	6.7
57.07074	3.1
59.37085	2.1
62.14554	2.2
64.16843	2.4
67.05167	3.1
67.05510	41.0
69.03434	2.3
69.07072	18.5
71.05001	4.6
71.57736	2.9
79.05495	26.9
81.07059	37.1
83.05011	2.3
83.08627	9.8
91.05483	28.4
93.07053	38.3
95.05004	2.9
95.08613	33.5
97.06543	8.1
97.10152	2.4
105.07040	29.8
107.08596	18.6
108.43073	2.3
109.06509	2.8
109.10155	17.1
114.41415	2.4
117.07021	12.3
119.08585	34.0
121.10159	19.6
123.08076	2.7
123.11683	4.6
129.07043	6.0
131.08557	24.3
131.09369	2.4
133.10124	25.0
135.11685	12.4
137.09653	8.3
143.08612	7.7
145.10150	20.9
147.11708	17.6
149.09641	2.9
149.13216	5.3
155.08607	2.8
157.10175	10.1
159.11699	17.8
161.13306	9.8
163.14990	3.3
169.10213	5.4
171.11781	10.6
173.13333	10.6
175.14874	5.4
183.11720	7.0
185.13335	6.6
187.13194	2.8
187.14929	6.9
197.13394	3.7
199.14932	6.8
201.16475	2.7
215.18089	2.6
217.15935	3.2
225.16364	4.2
241.19714	3.0
259.20801	3.3
283.20758	2.8
285.22150	5.0
299.23898	7.8
363.67841	2.2
377.27155	3.7
379.26181	2.4
379.30014	12.3
391.28430	6.1
397.31036	26.1
399.84805	2.6
415.32263	5.6
471.34592	25.2
489.35849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03925	2.7
55.01871	3.8
55.05519	16.3
57.03439	6.2
57.08771	1.8
67.05508	39.4
69.07072	14.2
69.07392	2.3
70.57529	1.9
71.05013	2.7
71.58984	3.2
78.66525	1.9
79.05491	25.4
81.07057	40.1
83.04956	2.8
83.08613	8.3
87.04488	4.5
91.05488	27.5
93.07040	35.6
95.04967	3.3
95.08602	31.2
95.09157	2.8
97.06544	4.8
105.07024	28.2
107.08591	25.0
109.10156	16.0
111.08092	2.1
117.07025	12.7
119.08586	32.5
121.10143	17.3
123.08073	3.7
123.11712	2.8
125.09666	2.4
129.06998	8.6
131.08585	26.1
133.10153	23.0
135.11696	11.0
137.09697	2.1
139.88950	2.4
141.07002	2.6
143.08604	7.9
145.10127	24.2
147.11691	13.8
149.13316	5.7
155.08621	3.9
157.10150	11.8
159.11702	18.2
161.13297	8.5
169.10179	6.5
171.11737	11.4
173.13290	12.9
175.14806	4.1
183.11732	5.3
185.13327	8.5
187.14888	9.5
189.16423	3.4
191.14275	2.5
197.13269	8.2
199.14882	7.5
201.16367	2.1
209.40350	2.0
211.14867	4.0
213.14821	3.9
213.16640	2.3
217.15814	3.2
227.18027	2.9
241.19679	3.0
259.20749	4.2
261.22382	2.8
271.20444	3.2
273.22171	2.8
285.22134	5.2
299.23871	6.1
309.22327	2.4
377.26926	4.5
379.29755	11.0
391.28445	7.4
397.31000	30.8
415.32153	6.6
471.34906	25.3
489.35843	100.0
490.36319	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	489.3575
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03936	4.4
55.01880	1.7
55.05510	18.5
57.03431	5.5
57.07056	2.5
59.04987	3.0
59.63504	1.5
65.03928	2.5
67.05505	60.8
69.06773	1.7
69.07074	16.3
71.04986	2.6
77.18658	1.3
79.05496	32.5
81.07059	46.0
83.08623	13.4
85.06538	2.8
88.24876	1.4
91.05481	24.8
93.07049	37.9
93.36889	1.5
95.04970	4.4
95.08611	31.8
97.06530	3.6
97.10136	3.7
99.08101	2.5
105.07031	27.4
107.08600	25.3
109.06528	1.9
109.10155	32.8
117.07018	10.5
119.08595	28.6
121.10136	18.9
123.11720	4.8
125.09647	2.6
129.06998	5.1
131.08572	20.5
133.10139	23.0
135.11703	10.2
137.09622	2.6
141.06917	1.6
143.08574	7.3
145.10126	17.2
147.11696	15.5
149.13289	6.7
155.08580	3.2
157.10150	6.8
159.11690	13.6
161.13248	11.1
163.11331	1.9
163.14943	3.8
169.10117	3.2
171.11681	7.8
173.11792	5.5
173.13287	12.0
175.14832	4.5
183.11754	4.2
185.13290	6.5
187.14801	6.7
189.16458	2.0
197.13326	4.0
199.13255	2.8
199.14912	4.2
201.16328	3.2
211.14690	2.0
213.16460	4.7
215.17915	2.5
231.17439	3.1
233.19041	2.3
271.20416	1.7
285.22211	2.7
299.23679	3.7
301.21701	2.3
313.25125	2.2
317.24829	2.4
377.26944	5.5
379.30008	7.1
391.28290	4.1
397.31012	19.2
415.32220	4.7
433.33209	1.7
450.02072	1.7
471.34747	18.6
489.35809	100.0
490.35974	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	489.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75732	1.4
55.05507	9.5
56.05042	3.3
57.07066	6.4
58.87338	1.4
63.56966	1.5
65.03947	1.5
65.24866	1.6
67.05517	19.7
69.03437	2.5
69.07073	14.4
70.06597	1.7
71.04983	1.9
71.17239	3.6
72.08145	1.9
76.02201	2.2
78.01803	7.2
79.05489	10.8
80.82856	1.9
81.03419	2.0
81.07063	51.6
82.07426	1.8
83.06104	41.4
83.08626	6.4
84.04508	92.8
84.08153	2.1
85.02901	3.9
90.46503	1.6
91.05469	7.1
93.07040	19.4
95.04961	2.3
95.08610	45.4
96.08912	2.7
97.06530	4.0
97.10171	5.2
99.08089	1.9
101.07145	20.5
102.05560	10.9
105.07034	8.8
107.08601	18.1
109.06510	3.4
109.10153	26.2
111.08057	3.4
111.11699	3.5
119.08597	6.9
121.10145	14.9
123.11727	14.3
125.09614	3.4
129.05617	2.2
129.06606	91.7
130.05006	100.0
131.08522	3.8
133.10123	6.2
135.11670	8.4
137.05971	3.9
137.09633	2.1
137.13277	3.3
139.11125	2.9
145.10170	2.3
147.07651	75.0
147.11662	5.1
148.05930	1.6
149.13272	10.1
151.07552	2.7
151.14856	5.0
159.11703	2.5
161.13307	3.0
163.14871	4.8
164.01804	3.1
165.02118	1.6
173.13261	2.0
177.16382	2.7
179.04843	2.7
179.14299	2.5
180.14723	1.8
181.04526	5.8
182.04681	1.6
189.12715	1.8
191.17908	3.6
201.16365	2.4
207.13863	1.7
219.17470	2.0
231.20972	1.8
271.24127	2.9
277.25275	3.9
285.18182	3.3
289.25186	13.6
365.24554	2.7
390.30075	2.2
405.31180	2.3
406.29636	2.8
418.29391	5.5
423.32138	40.0
435.32169	17.8
453.33115	6.1
490.27908	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	489.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.2
55.05518	7.3
57.03429	4.8
57.07064	3.5
63.66307	1.2
67.05502	13.9
69.03429	1.6
69.07066	10.0
70.70149	3.3
70.70499	1.2
71.04990	1.5
71.08628	10.7
75.04483	2.0
79.05492	11.8
81.07056	21.5
83.04991	1.4
83.08617	4.1
85.06540	4.0
87.86493	1.0
91.05475	8.4
93.07038	18.2
95.04968	15.8
95.08599	14.0
97.06522	5.1
97.10210	1.6
98.98465	96.0
99.08117	7.3
103.05492	1.3
105.07024	14.5
107.04990	1.7
107.08588	11.5
109.06512	25.4
109.10149	4.2
116.99474	1.4
117.07018	4.2
119.08569	11.6
121.06503	21.8
121.10120	6.3
123.08068	3.3
123.11689	2.3
129.07036	1.5
131.08554	7.8
133.10115	6.2
135.08083	5.6
135.11649	2.9
143.08606	2.0
145.10135	7.9
147.08052	1.6
147.11679	4.1
149.09587	2.8
149.13235	2.7
151.11201	2.7
155.01109	1.3
156.30623	1.2
157.10094	3.1
159.11699	4.4
161.09618	1.5
161.13246	2.6
163.11168	8.1
165.12756	64.9
166.99506	1.3
171.11700	1.3
173.02124	18.6
173.13232	2.4
177.12732	2.4
179.10643	1.5
179.14322	3.5
182.14709	1.3
185.13307	2.4
191.14291	16.2
201.16434	2.9
203.14450	1.6
205.15874	2.2
219.17534	1.8
233.19034	1.6
249.18539	3.5
261.18472	2.6
275.20023	5.3
289.25256	8.1
299.23688	1.7
317.24753	100.0
318.25156	3.0
335.25806	9.0
343.26624	1.6
347.25821	8.1
355.26270	2.6
361.27365	3.3
373.27362	17.7
391.28387	59.3
392.28476	1.9
430.75311	1.2
431.20392	1.1
471.25055	3.1
489.26013	3.1
495.06299	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01875	2.0
55.05508	10.6
57.03445	16.8
57.07068	2.4
65.03953	3.1
67.05508	54.1
69.07072	11.4
69.76717	7.7
71.04984	1.6
79.05500	35.8
81.07061	61.7
83.04990	1.6
83.08635	6.5
85.06557	1.9
91.05482	24.6
93.06459	3.0
93.07049	47.8
95.04956	5.2
95.08611	44.9
97.06525	2.3
97.10194	3.0
98.20864	2.8
98.21467	2.5
98.98473	80.1
99.08089	2.6
105.07030	17.2
107.08594	33.2
109.06512	1.3
109.10163	24.3
109.10834	2.6
117.07024	8.1
119.08597	14.1
121.10148	28.5
123.08072	1.5
123.11713	8.2
124.29508	1.3
131.08569	15.5
131.58353	1.2
133.10110	15.8
135.11697	21.5
136.99974	5.9
137.09644	1.4
137.13264	2.5
145.10135	12.0
147.11703	9.9
149.13274	12.7
151.14798	2.1
155.01048	73.6
159.11739	11.2
161.13263	9.7
163.11089	1.8
163.14838	8.8
166.92267	1.3
173.13251	10.5
175.14842	3.2
177.16397	2.5
180.22345	1.4
187.14847	6.8
201.16324	2.8
211.03696	5.0
229.04727	6.1
243.21111	23.0
261.22134	40.6
317.24753	15.8
335.25806	100.0
336.26172	2.9
415.22504	5.1
471.24878	14.4
489.25647	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22164	0.1
53.30237	0.2
55.05525	0.2
59.43563	0.2
69.07061	0.2
69.75533	0.3
69.75941	0.6
70.06591	0.3
77.03914	0.3
79.05501	0.2
79.83949	0.1
81.07061	0.2
82.15757	0.1
85.02909	0.2
86.09706	0.2
93.07073	0.2
95.04972	0.5
97.06533	0.6
98.21167	0.6
103.05475	1.1
110.12568	0.2
128.05023	0.3
130.06534	100.0
131.06862	0.9
156.08107	0.3
167.07304	0.6
168.08041	0.3
170.06012	0.2
184.07568	2.8
195.23805	0.2
226.15611	0.2
268.54980	0.2
274.24036	0.1
281.10544	0.2
324.08566	0.1
327.15903	0.3
328.81082	0.2
342.09613	1.0
355.15439	0.2
360.10760	1.7
468.92654	0.2
489.16605	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38656	0.4
55.01858	0.5
55.05503	0.7
56.01275	0.4
56.05031	1.0
64.10461	0.4
67.05499	1.1
69.07054	1.9
70.06604	3.8
70.34489	1.9
72.08127	0.7
79.05485	0.6
81.07054	1.5
82.02943	1.2
83.06090	0.7
84.04035	0.8
84.04507	12.4
84.08131	0.6
85.02904	2.4
86.09705	14.9
86.10230	0.7
91.05471	0.9
93.07045	1.2
93.90357	0.4
95.08595	1.3
97.06493	0.6
97.10088	0.5
102.05547	3.2
104.87979	0.5
105.07010	0.8
107.08576	0.9
109.10157	0.9
115.05443	1.5
117.05732	1.5
117.07040	0.7
118.06561	0.8
118.96692	0.4
120.08095	0.8
121.10128	0.7
128.10721	7.1
129.06639	1.9
130.05081	3.7
130.06526	17.9
132.08093	31.3
133.10124	0.5
137.05986	1.3
142.06516	4.4
144.08084	19.4
145.06522	0.5
147.07628	1.6
148.06071	1.2
156.10181	1.4
157.28514	0.4
159.09177	100.0
160.07578	4.5
160.09529	0.9
169.07585	1.1
170.06018	16.3
187.08694	5.9
188.07072	1.0
271.10681	0.6
275.10303	0.6
289.11935	0.5
299.10257	2.7
317.11310	37.8
318.11682	0.6
334.13968	21.5
342.18192	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.8
66.99271	0.5
67.05500	0.7
68.25848	0.5
69.07072	6.3
70.02959	0.8
70.06576	1.1
70.88665	1.5
72.08167	1.4
76.82442	0.5
82.06557	0.8
84.08144	100.0
85.04076	0.5
85.06557	0.9
85.08443	0.5
86.09706	45.6
88.03994	2.2
93.19555	0.5
98.21346	0.6
101.10788	2.9
110.06050	1.0
111.09206	1.6
129.10240	99.5
130.06506	0.5
130.08644	3.0
132.10168	0.7
138.09093	0.6
139.08646	2.3
147.11307	4.6
152.14363	0.6
156.11308	0.7
164.07120	0.6
167.08188	0.6
180.11331	0.7
181.09875	0.6
183.11359	2.0
184.10808	2.9
197.16560	0.8
198.12349	1.0
199.10828	0.6
201.12401	1.4
208.10867	1.0
209.09219	7.4
218.88052	0.5
226.11853	13.5
226.13943	0.9
227.10323	1.6
229.11891	2.4
242.18626	0.8
243.17093	3.8
244.12935	10.7
260.19693	23.6
262.14005	1.9
270.18188	0.7
339.20251	3.0
340.18640	0.6
354.95944	0.5
357.21268	5.3
357.25269	0.7
375.22333	12.3
385.20584	0.6
409.28058	0.6
420.49551	0.5
452.28815	1.1
464.95142	0.5
470.29861	7.0
471.28696	0.7
488.30804	33.4
489.31177	1.0
514.58844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68559	6.2
53.71474	5.9
55.05506	14.2
56.05041	6.8
59.04995	6.0
67.05512	33.1
69.03429	20.9
69.07072	43.8
70.06580	15.8
71.50070	11.7
76.02224	10.3
79.05483	20.0
81.03413	10.9
81.07054	67.4
83.04950	8.7
83.06097	34.6
84.04504	73.8
84.08137	9.6
85.02907	12.0
86.09702	18.4
91.05465	17.6
93.07041	26.4
95.04977	10.1
95.08612	88.2
97.02899	5.9
97.06512	26.6
97.10162	14.4
101.07140	14.2
102.05527	15.8
105.07018	18.6
107.08614	33.7
109.10146	28.6
110.07150	6.0
119.08555	18.5
121.10130	22.5
123.11694	42.6
126.03704	11.3
127.03989	8.0
129.06613	100.0
129.10182	6.6
130.05016	68.0
130.06522	22.2
133.10100	8.7
135.11708	10.0
137.06032	6.6
137.09665	7.8
137.13246	15.0
140.05280	16.9
145.10132	6.8
147.07649	44.5
147.11678	15.1
149.13278	19.2
153.12672	7.3
163.14793	9.3
173.02374	7.0
179.04837	13.2
238.12581	10.6
239.13026	8.2
240.54759	7.7
259.09732	18.6
279.10092	9.1
299.33667	6.0
305.24670	29.8
386.83038	7.5
406.29514	8.1
421.30536	6.3
433.30820	7.0
434.29004	11.9
439.31656	40.2
451.31509	24.7
487.18347	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	488.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.0
55.01865	7.4
55.05502	13.6
57.03425	8.1
57.07051	4.7
61.02913	4.4
63.83704	4.4
67.05499	5.0
67.39904	3.7
68.99784	4.8
69.03430	42.8
69.07059	20.4
70.06595	5.2
71.05006	6.6
71.57713	8.1
72.64529	4.8
73.02885	5.1
79.05471	5.6
81.03432	33.9
81.07043	8.4
83.04984	6.1
83.08595	7.9
84.08135	4.2
85.02420	7.0
85.02901	93.9
87.00829	43.2
91.05466	4.8
97.02892	64.7
97.06544	6.8
99.04448	14.5
105.01874	79.6
105.07050	6.2
107.08611	4.9
108.04475	9.9
109.02908	35.8
110.50613	3.9
127.03926	100.0
130.06554	22.5
136.96425	3.8
145.04959	35.9
151.07597	5.0
153.12729	4.1
159.02888	15.7
212.15163	4.3
213.03928	9.7
230.06642	4.9
231.04990	33.5
248.07642	10.7
249.06046	19.8
251.16444	13.2
263.33987	3.8
266.08704	31.7
266.17523	7.0
287.38541	4.2
311.18588	9.6
337.16574	23.1
355.17548	8.0
373.18680	6.3
388.25238	5.8
460.10452	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	487.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64890	1.3
55.05511	10.3
56.05040	6.4
57.07075	2.9
58.81615	1.3
65.03957	1.5
67.05511	16.4
69.03434	2.3
69.07066	15.8
69.89679	6.7
71.04991	2.6
78.36449	1.3
79.05498	14.3
81.06581	1.9
81.07064	43.9
83.06109	38.2
83.08633	4.5
84.04507	88.2
85.02894	1.6
86.09745	1.8
87.92403	1.4
88.55286	1.4
91.05475	10.6
92.13074	1.2
93.07051	30.7
93.86411	1.4
95.04987	2.5
95.08608	37.5
95.09222	1.8
97.06535	5.1
97.10162	4.7
98.21253	3.1
98.95103	1.4
99.08115	1.4
101.07151	19.9
102.05536	12.1
105.07037	18.1
105.94340	1.2
107.08604	25.6
109.10156	22.2
111.08095	2.7
111.11730	2.9
119.08590	17.9
121.10171	15.7
123.08099	1.7
123.11691	11.1
125.09657	3.1
129.06609	100.0
130.05013	91.4
131.08546	4.2
133.10132	13.6
135.11703	14.8
137.13251	2.4
139.11179	2.6
143.08545	2.1
145.10139	4.2
147.07649	70.4
147.11699	12.2
149.13263	23.2
151.11201	2.5
151.14882	1.5
159.11723	4.2
161.13219	7.7
163.14865	6.0
165.12779	1.7
173.13313	3.4
175.14867	3.7
177.12695	1.6
177.16379	3.4
189.16403	6.1
193.15921	1.5
203.18021	1.5
220.92770	1.3
259.24265	2.3
269.22592	2.7
275.23779	1.7
277.25192	2.9
287.23743	7.4
290.08261	1.3
293.24951	2.9
305.24692	13.2
322.27396	6.5
323.25916	2.0
406.29541	4.2
421.30551	2.8
422.29193	1.8
423.77484	1.6
433.30469	5.4
434.28900	6.2
439.31485	9.9
451.31668	14.4
452.29980	2.0
469.32587	2.9
514.87793	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15927	12.5
55.01888	13.6
55.05506	31.8
63.91042	13.6
66.27851	12.0
67.05512	95.5
69.07077	20.7
71.57513	20.0
71.73795	14.2
79.05491	60.2
81.07063	100.0
83.08601	15.6
91.05484	52.0
93.07040	78.7
93.67194	11.1
95.04971	14.9
95.08609	41.6
98.21066	14.8
101.04223	47.6
105.07029	32.4
107.08607	50.9
109.10175	38.3
118.87823	12.1
121.10177	40.0
123.05535	27.6
131.08559	22.4
133.10152	37.3
135.11679	32.8
145.10173	43.5
147.11665	16.2
149.09599	14.1
152.83670	12.3
159.11674	30.7
173.13301	27.6
215.17918	43.3
233.19095	23.1
268.86783	12.8
325.14218	14.7
418.42166	18.5
469.28299	19.5
487.26938	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01862	8.2
55.05517	18.6
57.03427	10.4
57.07076	7.6
61.02932	8.2
65.03941	5.7
67.05164	6.7
67.05505	93.5
69.03413	11.1
69.07082	20.2
69.90295	20.3
71.04979	9.0
76.29906	3.4
79.05061	4.9
79.05500	86.1
81.03427	9.5
81.07061	100.0
83.04981	7.5
83.08619	14.2
85.02914	11.1
85.06534	12.2
90.99243	3.9
91.05485	53.4
93.07050	86.0
95.04960	12.8
95.08027	7.6
95.08609	66.5
97.02911	8.2
97.06522	9.4
98.21505	4.8
99.08085	11.1
103.03975	3.5
105.07047	40.2
107.08601	53.7
109.06522	6.0
109.10160	33.1
109.17048	4.2
111.08118	4.5
113.09660	3.6
115.05464	4.7
117.07002	19.7
119.08601	34.2
121.10162	59.7
123.11721	21.7
129.06985	6.6
131.08583	35.9
133.10184	35.7
135.08058	6.7
135.11707	62.8
137.09608	6.4
137.13246	6.4
143.08580	11.7
145.10124	36.0
147.11722	30.4
149.09633	10.2
149.13277	33.3
151.11237	6.1
157.10146	6.3
159.11684	35.0
161.13257	6.1
163.11176	8.2
171.11711	5.8
173.13307	22.4
183.06287	3.9
185.13203	4.9
187.14850	10.6
191.14398	4.0
205.19543	9.0
215.17966	70.1
233.19014	72.7
251.20203	4.4
275.20087	5.9
307.22614	7.7
317.21216	5.8
325.23801	13.3
359.21988	4.5
377.23370	4.6
420.53619	4.0
433.25864	5.0
460.66132	4.5
487.34210	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33139	3.8
53.03948	6.2
54.20419	4.2
55.05502	18.4
57.03435	11.0
57.07066	7.1
61.02922	6.7
64.08456	3.7
65.14712	4.8
67.05169	6.9
67.05505	100.0
69.03420	7.3
69.07058	13.7
70.31243	16.7
71.04970	9.6
72.08141	5.0
74.09714	4.9
79.05493	83.6
81.03409	9.3
81.07059	93.6
83.04955	5.9
83.08624	10.7
85.02879	10.7
85.06548	9.3
91.05481	45.1
93.07049	86.3
95.04979	13.4
95.08608	69.7
97.02908	8.0
97.06529	9.2
98.21207	9.1
99.08082	8.1
101.26665	4.0
101.78597	4.0
103.03955	5.9
105.07051	32.1
106.23889	4.5
107.08601	52.7
109.06507	10.4
109.10162	45.8
111.08089	6.4
115.05415	6.1
117.07010	18.5
119.08569	23.5
121.10147	56.8
123.08082	5.7
123.11731	19.5
129.77722	4.1
131.08577	47.2
133.10139	29.6
135.08051	6.2
135.11707	66.9
137.09615	7.0
137.13234	5.7
139.11162	5.1
145.10132	31.6
147.11678	20.0
149.09569	6.7
149.13232	35.3
157.10130	5.8
159.11688	27.7
161.13246	11.8
163.11192	5.1
163.89548	4.9
169.10269	4.7
171.11600	5.2
173.13199	24.7
187.14859	9.7
205.19424	9.8
205.78992	4.0
215.17978	78.9
215.87265	4.6
233.18996	64.7
307.22601	24.7
309.95822	4.1
325.23807	13.5
391.24670	5.6
469.27933	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	487.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.2
61.68444	1.1
67.05496	1.2
69.03419	1.3
69.46738	1.1
70.06595	1.3
70.17148	1.1
71.58364	1.3
81.03397	1.2
81.07048	1.7
85.02879	2.1
91.05508	1.2
101.36359	1.0
105.07005	1.2
107.08592	1.1
114.75773	1.2
121.10116	1.5
127.03918	1.8
129.02792	1.0
130.06541	2.6
160.07578	3.3
163.14844	1.2
239.16267	2.2
245.93140	1.2
313.16052	1.7
355.17279	5.1
392.05618	1.1
399.16248	3.4
401.21207	4.5
441.44250	1.3
443.22424	22.7
468.96564	1.1
487.16034	3.6
487.21503	100.0
488.21640	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
67.05496	1.8
69.03452	0.8
70.17481	3.0
79.05477	0.8
81.03434	0.7
81.07067	1.3
84.08194	0.6
85.02905	1.5
85.06596	0.6
87.92116	0.6
91.05479	1.3
93.07049	2.0
95.08610	1.7
97.02931	1.1
98.21262	1.3
105.07032	1.3
107.08599	1.7
109.10157	1.5
119.08607	0.8
121.10159	1.1
127.03907	1.9
129.45920	0.6
130.06488	3.0
133.10112	1.1
138.24199	0.7
140.71985	0.6
145.10130	1.2
176.14342	0.8
177.14647	0.8
221.19035	1.4
222.14954	1.5
239.16200	1.0
245.06432	0.6
266.17505	2.3
307.84738	0.6
313.16245	2.1
353.52969	0.6
355.17303	5.0
399.16364	3.6
401.21832	3.3
443.22513	17.9
444.22568	0.7
469.22318	0.7
485.68655	0.8
487.21512	100.0
488.21887	2.4
508.53671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87089	0.6
55.01874	0.7
57.03428	1.6
61.02929	1.7
69.03411	2.4
69.60179	3.8
70.06591	6.4
72.08141	1.5
81.03413	1.9
84.04511	1.8
84.08138	2.7
84.50323	0.7
85.02915	7.3
86.09698	5.1
91.05484	1.6
97.02885	3.8
102.05524	0.8
103.05471	0.6
109.02882	0.8
112.27866	0.7
117.05748	0.8
118.06551	8.8
120.06581	0.6
120.08108	4.3
127.03950	0.8
129.10257	2.0
130.06531	100.0
132.08086	1.8
136.07579	4.9
144.08095	2.6
145.04974	0.9
145.07617	2.9
146.06032	0.8
147.04417	0.8
154.06569	0.7
156.08089	4.0
158.06041	8.7
159.07724	0.7
160.07611	4.8
168.08102	3.3
170.06003	1.3
170.09702	2.1
172.07581	5.5
180.08182	1.9
182.05943	0.9
183.06874	0.8
184.07549	3.9
196.07625	1.9
198.09135	3.0
200.07074	0.8
208.07466	1.1
212.07275	1.3
214.08597	1.5
226.08522	3.3
244.09702	33.2
253.72357	0.6
262.10748	40.8
263.11020	1.0
272.09113	0.7
283.14365	1.3
308.11276	51.0
487.24042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16614	0.2
69.07084	0.2
69.97683	1.0
70.06586	1.9
72.08152	0.5
81.03414	0.6
83.58552	0.2
84.04488	0.7
84.08130	0.8
85.02888	0.3
86.09704	2.5
89.03905	0.4
91.05487	1.8
116.07100	0.2
117.03389	0.6
117.05769	1.3
118.06548	7.8
119.04980	0.3
120.08114	0.4
128.05037	0.2
129.10246	0.4
130.05003	0.6
130.06514	0.3
133.07602	0.8
135.04385	0.7
136.07547	0.3
141.10240	0.3
142.12300	0.2
145.07611	100.0
146.07985	0.9
147.04382	0.3
147.07671	0.7
155.11835	0.4
163.03925	3.9
163.08672	12.8
165.09100	0.2
179.59366	0.2
191.70334	0.2
200.13934	0.6
212.07390	0.4
228.13515	0.5
254.74318	0.2
258.50757	0.2
260.16064	0.6
293.08112	0.4
321.39035	0.2
325.13971	0.5
353.10333	0.2
487.17130	20.9
488.17310	0.6
502.06332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
54.42165	0.6
55.01846	0.8
55.05508	8.8
56.05026	1.7
57.03428	1.1
57.07067	1.9
57.98824	0.6
58.99582	15.0
59.04945	0.8
62.04274	0.7
67.05502	31.5
69.03429	1.1
69.07070	5.8
70.06590	0.8
71.04984	0.9
71.80978	0.7
72.08147	1.0
73.01132	1.4
74.00662	0.8
76.02225	61.5
76.03986	3.2
79.05487	8.1
80.05013	0.9
81.07053	24.0
83.04983	1.3
83.06091	2.9
83.08617	3.4
84.04036	1.3
84.04507	18.9
84.05007	0.9
85.01104	2.1
86.99062	5.2
87.02688	1.6
88.02197	1.5
91.05481	8.6
93.07049	11.4
95.04956	2.5
95.08605	42.4
95.37621	0.7
97.01089	1.3
97.06512	2.9
98.20795	2.1
98.21487	1.8
99.02676	0.8
99.05594	1.4
105.07027	8.8
107.08583	6.3
109.06524	2.1
109.10151	28.5
111.08099	0.8
112.03938	1.7
113.04200	1.9
114.05512	0.9
115.67287	0.7
116.00874	1.4
116.01679	23.7
117.07008	1.6
119.08577	12.1
121.10115	2.6
123.08060	3.5
129.06630	2.7
130.05008	7.3
130.06847	3.0
130.08652	1.5
133.06441	0.7
133.10112	4.2
134.09622	2.6
135.08055	1.3
135.11711	1.5
137.09615	2.5
139.05829	1.7
141.04782	1.1
141.07352	1.1
142.03232	5.1
142.04947	0.7
144.01144	11.7
151.13637	1.2
151.14827	20.4
156.08383	1.2
157.09996	0.9
161.09647	1.6
161.13254	12.8
162.02200	40.9
167.05232	0.9
170.02711	2.6
178.15895	1.1
179.04851	100.0
179.14305	27.5
185.13242	0.9
187.05345	2.7
203.14270	2.0
215.04877	1.3
216.06895	1.7
219.12163	0.9
233.05905	15.6
233.09532	1.4
236.14662	4.2
237.13091	6.0
245.05930	2.7
254.15689	2.6
290.17636	1.9
291.06381	1.8
308.09085	15.9
339.17374	13.4
354.79996	0.7
357.18494	1.0
365.18756	1.0
393.18436	3.1
411.19550	12.4
468.21719	6.5
486.22211	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	486.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01867	1.4
55.05260	0.7
55.05511	9.3
56.05021	1.9
57.03429	2.3
57.07067	1.4
57.98787	1.0
58.99287	0.9
58.99584	16.4
59.04995	0.7
61.01146	1.0
65.03932	1.4
67.05503	35.1
69.03433	1.4
69.07062	6.1
71.04978	1.7
71.10024	1.2
72.08151	1.3
73.01128	0.6
76.02227	63.3
76.03981	3.2
79.05492	10.6
80.04977	0.8
81.03412	1.1
81.07055	26.9
83.04965	1.3
83.06107	4.6
83.08634	3.2
84.04501	19.5
84.08129	0.7
85.01118	1.3
86.99048	5.2
87.02650	1.6
88.02203	2.5
91.05473	6.7
93.07043	12.2
95.04960	5.0
95.08605	47.8
97.01101	0.8
97.06508	1.2
98.00636	0.8
99.05559	1.7
105.07027	9.4
107.04960	0.8
107.08598	6.4
108.08138	0.7
109.06519	4.8
109.10157	28.5
111.08034	0.7
112.03967	1.4
113.04217	2.4
114.03714	0.6
114.05574	0.6
115.54664	0.6
116.01673	22.9
117.07015	1.5
119.07791	0.9
119.08582	13.4
120.08150	0.9
121.10166	4.3
123.08086	5.3
129.06554	4.8
130.05003	5.9
130.06870	3.4
130.08618	1.2
131.08577	1.0
133.10144	4.3
134.09642	2.3
135.08084	0.8
135.11710	3.1
137.09622	4.0
137.13271	0.8
139.05769	1.8
141.04845	1.4
141.07260	0.6
142.03223	6.7
144.01138	11.1
145.06047	1.5
145.10117	1.0
149.09563	1.1
151.11162	0.6
151.14807	17.4
155.08191	0.8
157.10060	1.0
161.09663	0.9
161.13248	10.5
162.02200	43.6
167.05289	0.9
169.96857	0.7
170.02699	3.0
176.14330	1.4
178.15874	1.6
179.04852	100.0
179.14305	35.8
180.14642	1.0
181.06122	0.7
187.05365	2.6
188.74866	0.7
195.12117	0.8
203.14400	1.0
215.04932	1.4
216.06924	1.7
233.05916	18.7
233.09503	1.3
236.14697	2.3
237.13055	1.7
245.05853	3.3
245.53235	0.7
254.15718	0.9
288.47406	0.5
290.17560	0.9
291.06427	2.3
295.55731	0.6
308.09067	15.2
317.33282	0.6
339.17365	13.7
357.18387	1.9
393.18503	1.3
411.19467	18.5
412.19293	0.7
449.54831	0.6
468.21674	5.1
486.22650	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	486.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01867	7.3
55.05500	8.0
57.03430	5.9
61.02913	7.3
63.20507	2.1
67.05502	17.4
69.03430	40.9
69.07082	2.1
69.85511	7.7
69.85928	4.1
69.88745	1.9
71.04978	9.2
73.02907	7.5
79.05479	9.3
81.03422	39.6
81.07064	29.5
83.04974	2.8
84.08138	3.2
85.02906	100.0
87.00832	43.4
91.05486	5.4
93.07065	2.6
95.04967	2.8
95.08598	3.9
97.02891	58.3
97.06505	3.7
98.20892	4.9
98.21429	2.1
99.04463	11.5
101.04227	5.2
105.01862	85.2
105.07020	6.5
107.08604	3.6
108.04470	8.0
109.02887	44.2
109.10177	2.9
119.08549	4.2
120.08091	3.0
121.10121	2.7
123.11667	4.3
126.05518	3.0
127.03925	87.5
129.01828	3.7
130.06514	10.1
131.06824	4.7
135.11746	2.4
135.13641	2.1
135.34296	2.4
139.11179	3.2
145.04962	34.8
145.10057	2.5
147.11668	2.3
159.02853	12.7
161.13083	2.0
163.11238	2.5
181.12341	2.3
213.04022	5.3
231.04988	36.9
231.13759	4.5
248.07664	8.9
249.06056	22.0
249.14873	6.7
266.08649	28.5
266.11194	2.4
284.11285	3.0
285.11584	2.2
298.98859	2.1
309.16959	5.3
335.14896	16.0
353.16016	8.4
356.13248	4.6
357.13522	6.7
406.20642	5.7
444.01407	2.1
486.03806	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59122	3.4
55.05512	21.4
56.05036	5.0
57.07072	5.8
67.05506	23.4
69.03420	4.7
69.07069	44.2
70.06583	4.9
71.04986	7.6
71.31541	5.0
71.59591	3.2
72.67492	3.6
76.87061	3.0
79.05486	19.1
81.07063	38.1
83.05054	3.7
83.06104	40.4
83.08607	8.0
84.04507	77.9
85.02886	5.0
91.05463	12.7
93.07043	48.8
95.04972	31.4
95.08603	43.9
97.06516	14.0
97.10135	7.0
101.07141	21.4
102.05534	10.1
105.07017	18.9
107.04982	5.8
107.08597	24.4
109.06518	7.3
109.10153	22.1
111.08070	9.2
119.08581	15.0
121.10148	26.5
123.08066	6.0
123.11684	12.9
129.06602	100.0
130.05009	69.6
130.06535	10.4
131.08514	5.6
133.10107	15.9
135.11696	15.6
137.13194	6.9
145.10133	11.4
147.07649	60.1
147.11664	15.1
149.13252	5.0
153.12732	12.8
159.11691	15.9
161.13266	10.9
163.11171	4.5
171.13817	6.3
182.09663	7.0
257.22455	5.7
275.23685	14.9
285.22198	5.9
291.23175	5.9
293.24692	16.1
303.23184	76.4
321.24185	15.1
338.26743	7.1
391.77411	4.6
422.29044	5.1
449.30017	8.9
467.31482	5.0
485.27130	13.2
485.39633	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	485.2877
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
50.92391	2.1
51.46131	1.9
54.94577	2.1
55.05513	3.7
57.03434	6.0
57.07084	27.0
67.05495	6.5
69.07031	2.4
69.53413	16.3
71.08638	18.5
79.64299	2.0
80.42983	2.2
81.07057	10.3
83.08603	6.1
85.10179	13.3
89.06028	7.9
91.05487	3.9
95.08604	11.3
97.10184	3.8
98.20979	7.0
98.21548	2.4
98.98463	10.0
101.68823	2.1
109.10165	3.0
124.25691	2.0
126.56057	1.9
128.21124	2.1
133.08609	2.4
133.10101	2.0
145.00317	2.4
154.64891	2.1
155.01015	5.2
257.24771	2.4
266.90747	2.4
292.85480	2.2
313.27405	100.0
485.28568	10.6
506.33713	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	16.7
64.97272	1.8
69.24056	1.8
70.06593	100.0
71.57763	3.1
76.02216	2.9
78.93603	1.8
81.03429	2.4
83.06113	1.9
84.08166	2.2
85.02882	2.7
98.21222	2.8
109.02898	3.8
110.07178	12.2
112.07609	88.8
113.56110	2.1
116.05318	2.2
116.07114	10.2
119.04941	1.9
120.08104	18.1
121.08440	2.5
127.03898	4.7
135.04366	3.9
136.35234	2.2
140.07074	38.4
145.02864	2.3
146.03265	1.9
147.04449	2.2
158.08128	55.2
163.03905	7.6
166.08617	5.7
200.09146	2.0
221.00549	2.0
221.02863	2.8
222.04460	6.4
223.04836	2.6
240.05429	3.5
241.05670	3.7
266.10208	4.4
267.10913	4.2
284.11313	11.8
302.12302	19.6
344.60077	2.1
369.08496	6.6
430.45654	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82343	2.3
55.05517	20.3
57.03421	6.5
57.07067	8.4
67.05506	5.3
69.07069	25.3
69.53829	16.8
71.08636	6.1
79.45765	2.2
81.07063	4.5
83.08637	19.1
83.54152	2.5
93.07004	3.3
95.08605	3.4
97.10181	12.9
98.21170	8.6
98.98467	9.8
111.11720	4.3
115.12187	2.7
121.10096	3.6
155.01050	6.4
179.64151	3.0
311.25812	100.0
312.26566	2.5
408.43161	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	483.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99790	2.8
52.16620	2.5
54.89750	2.4
60.08577	2.9
70.92817	3.6
70.93177	6.4
79.05519	2.9
81.03393	3.2
91.05531	3.7
95.08633	3.1
105.07082	3.2
109.10130	3.5
124.24239	3.0
300.22290	2.9
309.16733	7.9
310.61688	3.7
367.20731	3.8
421.29089	4.5
424.23901	3.1
449.28784	100.0
465.28302	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.5
51.69462	2.6
53.03944	13.4
54.73549	2.2
55.01875	15.4
55.05509	29.9
57.03437	42.0
61.02927	12.9
65.03938	7.7
65.04276	2.6
67.05506	73.6
69.03432	52.2
69.07066	21.9
70.04963	2.4
70.06578	3.1
70.55138	5.1
70.55487	2.6
71.01328	3.5
71.04995	14.2
71.75415	2.4
71.77319	2.8
73.02926	10.3
79.05495	81.5
81.03418	57.2
81.07057	100.0
83.04984	28.3
83.08617	12.2
84.04501	5.0
85.02908	34.8
85.06541	6.5
86.77979	3.0
91.03956	6.3
91.05482	83.0
93.07044	66.3
93.07623	3.9
95.04970	23.1
95.08043	5.1
95.08614	74.9
96.08883	2.3
97.02893	36.1
97.06535	20.1
97.10176	2.9
99.04454	16.6
99.08106	4.5
101.02389	4.7
103.03947	6.6
103.05460	5.6
105.04514	3.0
105.07040	56.8
107.04959	16.5
107.08592	41.8
109.02872	16.6
109.06528	26.8
109.10156	29.3
111.04456	13.5
111.08080	11.4
113.02351	2.4
113.05981	4.1
115.05464	3.2
117.07008	28.6
119.08580	62.5
119.09430	3.0
121.06527	8.2
121.10149	38.5
123.08096	18.9
123.11719	6.2
125.06004	3.6
125.09629	7.4
127.03912	26.7
128.06212	5.3
129.05482	4.8
129.07019	12.5
130.05003	5.4
130.06561	7.1
130.07780	4.8
131.04935	3.4
131.08568	47.9
133.06487	3.5
133.10123	38.2
135.08081	24.3
135.11714	13.8
137.09608	30.8
139.11183	12.2
141.06976	6.8
142.07817	3.5
143.07027	4.0
143.08568	12.6
145.04991	7.0
145.06398	4.7
145.10133	41.3
147.07968	10.4
147.11662	16.7
149.09642	28.1
150.09120	2.7
151.07555	5.1
151.11142	2.6
153.06969	2.7
154.07861	2.8
155.08549	9.6
157.10136	11.1
159.08061	8.5
159.11653	20.6
161.09656	12.8
161.13310	6.4
163.07521	3.6
163.11214	17.3
165.09102	9.2
167.10693	5.8
169.08896	2.5
169.10191	11.6
170.61649	2.6
171.08057	5.1
171.10258	3.1
171.11661	7.8
173.04457	9.0
173.09599	7.0
173.13281	9.3
175.11162	5.2
175.14810	3.9
177.09154	5.5
179.10643	3.3
181.12276	4.0
183.06535	3.2
183.10266	3.7
183.11703	8.4
185.11812	3.4
185.13275	10.4
187.11163	8.1
187.14830	9.9
191.10732	8.7
199.14792	7.0
201.16443	21.4
203.10649	3.1
205.12251	3.7
208.08846	2.9
209.11685	3.9
211.14861	14.1
217.15871	6.5
219.17447	8.8
227.12794	4.0
229.15883	29.7
235.16905	3.7
239.12836	9.0
247.16924	44.4
265.18002	7.5
283.15387	4.3
293.21085	4.1
303.19650	4.4
321.20609	58.0
327.11151	3.1
339.21738	4.8
355.18982	3.2
367.17618	4.2
385.18698	6.6
391.21240	5.1
394.87912	2.9
447.23245	3.1
465.24686	11.4
483.26147	54.3
483.39493	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0004
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.9
60.71789	0.6
71.39750	0.6
71.40105	0.9
93.82105	0.6
95.51174	0.6
98.97572	7.2
116.98635	6.1
132.96562	1.0
134.99655	3.7
140.00070	0.8
158.01138	0.7
174.97681	4.4
177.65956	0.6
183.34746	0.7
190.95819	0.7
192.98743	4.1
195.14015	0.6
214.95694	2.7
216.98775	1.9
222.50932	0.7
232.96715	12.0
234.99890	5.8
238.95665	1.5
250.97769	13.3
253.00945	0.8
256.96692	19.8
257.96957	1.1
258.99994	5.7
264.99384	0.8
274.97757	60.2
275.97903	3.7
276.98206	1.0
277.00964	6.3
279.00897	1.1
280.96945	2.4
283.00027	6.0
285.00162	1.1
289.96637	1.3
292.98804	11.7
293.99109	0.8
298.97748	61.7
299.97916	1.9
300.97882	1.2
301.01016	9.8
302.01248	1.2
303.01004	1.3
316.98822	100.0
317.99014	3.6
318.98828	0.8
331.00342	1.3
332.96689	1.2
334.99832	3.1
340.00339	3.4
340.98868	1.5
358.99954	5.4
374.98129	3.1
380.96744	1.2
384.99722	1.2
398.97836	2.7
416.98956	10.6
422.97632	6.2
440.98923	61.6
441.98978	4.0
443.01917	2.0
447.02481	0.8
458.99945	75.3
460.00177	4.8
461.00208	1.0
473.01425	2.7
477.01147	1.1
482.01526	4.3
483.00311	3.1
500.98288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01865	5.0
55.05502	8.1
57.03414	3.6
57.06788	2.6
57.07068	10.2
60.57276	2.2
61.02922	4.0
68.29359	2.2
69.03431	14.5
69.06723	3.2
69.07068	45.7
69.97594	11.2
71.04988	8.0
71.08616	6.4
71.09921	2.5
73.02911	4.3
73.06542	8.6
81.03407	15.8
85.02904	41.5
85.10172	2.6
87.00812	22.0
89.06036	24.8
97.02887	27.9
98.21150	6.8
99.04458	6.4
105.01861	32.3
109.02858	10.3
111.11721	72.5
117.01853	3.2
127.03915	32.4
129.12752	100.0
130.06525	26.8
131.06836	5.5
134.78986	2.0
145.04959	17.6
159.02899	5.8
172.07567	10.8
199.16980	16.2
203.92513	2.2
213.03912	3.5
217.17921	12.9
231.04968	11.2
249.06252	4.8
289.13266	6.3
305.51059	2.1
352.95483	2.8
359.16977	2.9
387.24109	2.7
482.17007	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	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41476	1.5
51.72623	1.7
55.01847	1.7
55.05507	6.2
57.03425	5.7
61.02925	2.5
67.05506	13.7
69.07071	9.3
70.75798	4.2
71.04979	3.7
79.05484	10.4
81.03394	2.0
81.07053	43.4
83.04996	2.7
83.08620	5.0
84.04503	2.0
84.08126	3.0
85.02877	4.3
85.06554	3.2
90.05561	2.3
91.05482	14.7
93.07027	7.7
95.08585	8.0
97.02858	3.6
97.06516	5.8
99.08088	2.5
105.07018	17.8
107.08573	8.5
109.06532	4.0
114.10299	2.2
119.08575	19.6
120.08011	1.9
121.10114	12.9
122.54249	1.6
123.08054	3.2
123.11686	17.0
130.06500	6.9
131.08548	2.8
133.10097	2.7
137.13220	2.7
143.07201	2.0
144.09393	1.7
147.11682	50.7
155.26822	1.8
157.10069	2.3
165.12761	20.5
175.11179	1.9
177.05397	2.7
229.14365	5.0
267.15900	47.0
285.16946	100.0
482.19208	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	482.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.1
56.48946	2.3
57.03424	7.0
57.07081	15.4
67.05511	41.8
69.07071	11.9
71.08628	10.9
74.11084	2.2
79.05494	27.7
81.07063	20.1
83.08598	6.4
83.61246	2.5
85.10202	4.4
89.06033	49.5
91.05473	9.2
93.07054	22.8
95.08611	100.0
97.06539	5.0
98.21313	14.6
103.03957	2.5
105.07059	7.0
107.08594	9.7
108.94233	2.5
109.10164	6.9
117.82616	2.7
119.08574	5.0
121.10130	14.0
123.08104	4.9
131.08540	3.5
133.08598	30.3
133.10132	3.7
135.11694	9.9
141.09149	2.7
145.10152	5.3
147.11609	3.4
149.13274	3.7
159.10194	13.2
159.11591	3.6
172.59077	2.1
177.11232	7.5
182.00188	2.4
215.12799	43.5
215.18008	7.9
229.18082	3.5
229.20125	2.9
233.19061	7.6
239.14931	3.4
283.17465	26.9
302.57541	2.4
307.22729	43.2
447.31000	17.4
456.32849	2.6
465.38123	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	481.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	3.7
59.67882	1.0
60.05628	2.0
69.55626	5.9
69.56055	2.6
70.06593	3.6
72.08155	1.7
83.06096	2.0
84.04490	1.4
84.08115	1.4
85.02890	1.7
91.37676	1.1
106.51787	1.2
109.48349	1.1
110.07165	1.5
111.05571	4.3
112.08715	1.3
113.07114	1.9
114.27352	1.1
119.04997	1.7
120.04477	2.3
120.08070	1.5
126.06632	2.3
126.38010	1.1
132.04436	8.8
134.06027	4.3
136.07571	3.0
137.04617	1.4
147.04405	2.7
150.05527	2.7
151.06117	3.7
173.67332	1.0
174.30635	1.3
187.08768	2.7
202.09685	2.3
203.08070	1.9
230.09335	1.8
231.07672	15.2
233.09296	1.6
233.13997	7.4
242.09331	1.7
257.10385	3.2
259.11896	18.0
277.12952	71.9
278.13080	2.0
284.11465	2.7
301.14099	2.9
302.12457	41.4
311.11987	1.2
319.15128	100.0
320.15305	2.0
481.14465	2.2
481.20428	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	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92368	2.1
53.03952	3.4
55.05515	8.6
57.03431	3.4
57.07078	12.4
59.04991	2.5
61.02929	4.3
67.05507	1.8
69.03438	17.6
69.07072	52.0
70.06614	1.7
70.77388	2.2
70.77725	4.1
71.04999	6.5
71.08628	7.2
73.02914	3.8
73.06548	10.2
79.05521	2.3
81.03415	16.5
81.07073	2.5
83.08607	3.5
85.02909	45.0
85.10176	3.1
87.00833	18.4
89.06032	30.4
91.05479	3.4
95.08620	2.0
97.02901	27.4
97.48699	1.8
99.04455	7.2
105.01875	30.0
107.67660	1.6
108.48232	1.8
109.02892	18.3
111.11721	79.3
127.03915	35.1
129.12762	100.0
130.06549	6.2
145.04997	14.3
145.05931	2.5
146.41632	1.8
159.02902	9.8
160.07573	4.2
170.15440	2.0
199.16968	17.4
217.18010	14.8
231.04991	9.2
281.84082	2.2
329.38199	1.8
359.16742	2.4
375.15564	1.7
482.25467	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	480.3085
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.01812	1.3
55.05513	13.3
57.03431	3.6
57.07071	5.8
58.39419	1.2
62.06094	29.1
67.05517	8.7
69.07075	19.5
69.36528	8.7
69.36944	3.2
71.08623	2.1
79.05496	4.2
81.07066	11.0
83.08622	10.9
91.05460	1.3
93.07047	5.2
95.08610	11.6
97.10162	6.5
98.06018	2.0
98.21053	5.9
98.98482	7.7
102.69532	1.2
107.08587	2.8
109.10159	5.1
111.08123	1.4
111.11739	1.7
121.10162	4.2
123.11676	1.4
135.11694	3.2
137.13226	1.5
149.13280	2.2
155.01039	6.7
198.05200	1.6
214.30763	1.5
216.06374	4.2
265.25217	4.3
308.29459	16.7
318.07074	1.7
339.28955	100.0
340.29370	2.9
390.04266	1.4
419.25717	1.5
481.15048	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	480.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90158	0.4
55.05515	14.7
57.03185	0.6
57.03440	7.0
57.07077	6.9
61.35527	0.5
65.03915	0.5
67.05168	0.8
67.05505	11.6
69.07072	19.9
69.37296	1.4
69.37708	2.3
71.04974	0.7
71.08633	4.1
77.57964	0.4
79.05500	4.8
81.07061	11.1
83.04954	0.5
83.08138	0.7
83.08620	14.9
85.10148	1.4
86.09718	0.8
91.05476	0.8
91.71038	0.4
93.07047	8.2
95.08606	11.1
97.06516	1.8
97.10175	7.4
98.21198	1.9
98.98428	0.5
99.08086	0.6
107.08592	4.5
109.10152	5.8
111.08050	1.5
111.11695	1.7
116.40437	0.5
121.10155	6.1
123.11711	1.2
124.01633	0.5
125.09605	0.7
126.67643	0.4
129.44525	0.5
135.11685	4.2
138.79932	0.4
139.11171	0.5
141.58328	0.4
149.13300	2.4
151.14838	0.5
155.54532	0.4
163.14940	0.5
247.24112	1.3
265.25320	1.6
285.87198	0.5
308.29422	3.3
327.82031	0.5
339.28946	100.0
340.29166	2.2
351.91000	0.5
480.33353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40617	1.7
53.03933	2.1
55.01864	4.7
65.03930	2.9
70.06583	6.1
70.44955	5.0
70.45299	2.1
72.08144	5.5
79.05477	7.7
81.07062	1.8
84.04516	2.1
84.08144	3.4
86.09687	4.3
91.05483	56.0
93.07075	2.3
94.04166	3.6
95.04956	4.2
98.21285	2.0
102.04691	1.9
103.05450	7.1
103.80227	1.6
105.03400	12.9
105.07019	10.2
107.04969	7.5
109.06524	13.7
115.05451	1.7
118.04117	2.4
118.62106	1.6
119.04944	88.3
120.08091	3.5
121.06496	6.9
122.03664	4.7
123.08073	5.7
129.10249	2.0
130.04117	2.8
131.04893	6.4
131.08507	1.5
133.02872	2.5
133.06497	13.5
133.52559	1.6
135.04434	2.3
135.08023	3.9
136.05219	1.6
137.05974	100.0
147.04411	29.1
147.08017	3.0
149.05984	6.2
150.06668	2.1
151.07549	40.7
158.01692	1.7
159.08080	3.2
160.53401	1.8
161.05986	36.2
162.06795	12.3
163.07468	2.8
165.05464	2.5
175.07527	24.9
178.00858	2.1
179.07039	38.7
182.27126	1.6
187.07552	12.1
191.08559	1.9
193.03111	9.3
193.08580	10.4
203.08499	2.0
205.08633	25.4
211.07486	1.6
217.08580	2.5
219.07971	4.1
231.08057	2.5
235.09625	4.9
248.08357	1.9
251.10660	3.4
279.07483	1.7
279.10016	8.1
291.10199	6.1
296.10370	2.9
309.11246	18.1
311.12799	7.2
318.07004	2.2
323.12787	2.1
329.13919	3.5
329.48026	1.6
341.13751	8.5
346.46423	1.5
372.36591	1.4
480.23682	3.2
495.39908	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54736	0.7
51.00024	0.7
51.53982	0.8
53.03940	2.3
54.79311	0.8
55.01876	0.8
55.05518	7.8
57.03434	3.7
57.07068	1.4
64.65710	0.7
65.03935	1.1
67.05509	28.0
69.06716	1.0
69.07073	14.3
70.30923	0.7
71.05016	1.8
79.05060	1.8
79.05499	25.7
81.03426	0.9
81.07060	100.0
83.04984	1.6
83.08631	4.1
91.05471	10.2
93.07052	19.0
95.04967	2.3
95.08612	22.4
97.06527	4.8
98.20813	2.5
98.21475	1.9
99.08136	4.4
105.07039	9.5
107.08602	10.8
109.06522	2.4
109.10165	10.7
110.76846	0.8
111.08109	1.2
117.06983	3.8
119.08607	7.2
121.10155	7.9
123.11742	5.1
127.07565	5.0
129.07018	1.4
131.08575	8.1
133.10127	7.4
135.11705	7.7
137.09628	1.0
137.13243	1.5
143.07056	7.2
143.08540	1.5
145.08598	5.1
145.10130	6.0
147.11696	5.0
149.13293	4.9
155.11761	0.8
157.10159	1.8
159.11705	5.4
161.08093	1.2
161.13280	3.3
163.14822	2.5
171.11711	2.2
173.13275	5.4
175.14841	1.2
185.13217	1.5
187.14835	2.6
199.09734	4.0
199.14879	1.1
201.11223	22.6
203.12862	1.3
231.17563	0.8
231.35364	0.9
243.21185	2.8
259.20755	1.0
261.22174	15.5
284.55060	0.9
302.04285	3.7
317.06464	2.8
317.24710	1.1
323.27371	0.9
333.24377	1.3
333.28979	0.8
335.25793	14.5
351.26416	1.5
369.27991	5.5
387.28870	2.4
405.29990	1.7
443.31680	1.3
461.32629	16.9
479.27612	1.1
479.33731	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	479.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	5.2
53.03938	8.5
55.01867	10.7
55.05519	40.9
57.03426	11.3
65.03944	8.0
67.05506	89.8
69.03427	6.9
69.07072	30.1
70.69524	14.9
71.04987	11.8
79.05493	82.1
81.03402	10.0
81.07054	84.7
83.04980	12.3
83.08619	28.7
85.02903	5.6
85.06538	5.4
91.05489	100.0
93.07049	58.8
95.04958	17.9
95.08602	48.7
97.06531	11.3
97.07117	5.3
97.10140	15.9
98.21291	7.2
102.93282	4.5
103.05467	8.1
105.07030	80.0
107.04969	27.7
107.08585	41.0
109.06515	9.2
109.10145	19.7
111.08056	12.1
115.05448	10.8
117.07027	59.1
119.04919	4.8
119.08585	36.6
121.06485	18.4
121.10139	21.0
123.08060	8.8
125.09608	11.7
128.06192	10.8
129.07016	57.8
130.06525	85.9
131.04922	7.6
131.08565	70.7
133.06470	16.0
133.10126	36.1
135.08043	9.9
135.11722	5.6
137.09595	9.5
141.06943	22.0
142.07780	6.1
143.08571	44.1
145.06464	12.9
145.10112	32.9
147.08029	14.7
147.11690	13.6
149.05946	4.9
149.09569	11.9
151.11169	6.0
153.06982	10.1
154.07764	6.5
155.08563	31.3
157.06537	10.1
157.10101	22.5
159.08054	6.8
159.11684	18.8
163.11162	8.9
165.07022	6.3
165.12828	8.2
167.08539	19.3
169.10129	20.3
171.08047	8.8
171.11670	19.5
173.09627	9.0
175.11162	8.1
177.12688	7.0
179.08536	7.1
181.10126	15.0
183.11690	13.1
185.09671	5.8
185.13240	13.3
187.11208	5.3
193.10135	8.5
195.11708	16.5
197.13284	15.8
201.12708	6.7
207.11691	8.4
209.13242	14.9
211.14813	5.2
221.13277	15.5
223.14778	12.8
227.14406	5.5
233.15369	9.0
235.14714	8.9
239.14363	7.3
241.15823	6.0
245.15373	6.6
253.16017	5.5
257.15378	7.3
271.16931	7.7
291.35257	4.7
302.04221	35.8
315.21039	7.3
317.06601	46.3
320.93185	5.3
323.23697	9.3
333.22144	18.9
341.24640	12.2
351.23160	57.8
369.24210	97.5
373.71552	5.1
387.25345	47.5
405.26312	9.3
443.27890	26.3
461.28976	57.9
479.30627	34.7
479.78809	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.6
55.01872	6.1
55.05513	28.9
57.03430	8.9
64.88389	4.9
67.05507	61.4
69.07072	28.9
69.83964	19.9
69.84374	9.9
71.04962	6.2
76.13271	4.8
77.76520	5.3
77.97271	5.1
79.05118	6.1
79.05503	72.0
81.03429	6.9
81.07060	72.5
83.04961	8.0
83.08186	5.2
83.08616	29.2
85.06510	5.9
85.71071	4.9
91.05480	77.3
93.07054	48.8
95.04943	17.5
95.08614	37.7
97.02882	5.5
97.06514	16.3
97.10137	9.9
98.21202	18.2
103.05450	9.2
105.07027	52.3
107.04939	11.3
107.08585	23.3
109.06517	6.0
109.10142	13.2
111.08100	8.2
115.05401	8.5
117.07025	46.0
119.04917	5.2
119.08571	40.2
121.06547	10.6
121.10126	22.5
123.08073	10.9
125.09586	10.1
128.06195	16.0
129.07004	51.6
130.06528	100.0
131.08569	60.4
131.90195	5.3
133.06453	9.1
133.10107	22.2
135.08067	6.7
135.11734	9.0
141.06999	20.2
142.07700	8.6
143.08607	42.9
145.06471	12.7
145.10144	28.5
147.11700	10.6
149.09586	11.4
155.08594	38.5
157.10126	27.4
159.11690	21.3
165.07079	6.9
167.08546	12.1
169.10127	17.9
171.11667	12.8
173.13196	6.2
179.08611	5.9
181.10126	20.0
183.11780	6.8
185.13246	9.4
195.11710	13.7
197.13280	8.5
199.11192	8.7
209.13315	10.8
211.14828	6.7
215.14217	6.2
219.13794	6.3
221.13300	14.2
223.14835	9.0
227.17850	6.0
239.14348	9.8
243.17314	6.2
257.15320	8.3
259.16888	8.7
271.16907	12.6
302.04218	21.1
317.06580	33.6
323.23801	7.8
333.22025	15.4
341.25143	11.0
351.23218	64.1
369.24213	56.2
387.25186	27.2
407.01743	6.7
443.27722	22.7
461.29025	31.4
479.29819	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
51.27320	0.2
55.01839	0.5
64.16782	0.3
68.99782	0.3
69.29584	2.0
70.06588	2.8
72.08121	0.9
81.03397	0.3
84.04463	1.2
84.08126	0.7
86.09713	6.4
99.00809	0.6
102.05500	1.1
110.07129	0.3
112.01557	0.4
120.08118	1.9
120.27207	0.3
127.00256	0.6
129.10260	0.4
130.04944	0.3
130.06483	0.4
134.03647	0.4
135.04366	0.5
136.07553	0.4
137.02359	1.7
139.04333	0.3
145.02783	0.4
155.08104	0.6
166.08627	0.8
168.00555	6.4
169.01314	1.1
173.09180	1.1
177.05476	0.7
186.00047	0.4
186.01599	6.1
201.08704	1.6
229.05023	0.3
248.99933	0.3
271.05981	0.5
273.03934	0.6
274.04681	0.9
279.17035	1.1
284.03500	0.3
301.03479	0.5
302.04211	69.9
303.04639	1.2
317.06561	100.0
318.06824	1.4
343.83240	0.3
344.96362	0.3
479.16647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05516	11.7
57.03434	4.0
57.07075	1.9
60.76224	1.1
62.05784	2.0
62.06094	34.2
65.03957	1.5
67.05508	29.1
69.07072	14.3
69.57204	4.0
69.57639	4.6
79.05492	8.3
81.07066	27.6
83.04971	1.1
83.08615	7.4
91.05477	5.8
93.07053	8.3
95.04936	1.4
95.08608	22.4
97.06551	1.2
97.10180	3.0
98.20895	3.1
98.21481	1.5
98.98473	7.3
105.07021	3.1
107.08598	4.7
109.10172	7.4
111.08092	1.4
119.08610	3.1
121.10142	4.7
123.11726	3.2
124.01582	1.8
133.10106	3.5
135.11725	2.5
137.13223	1.3
142.02606	2.0
145.72665	1.0
147.11746	2.0
149.13234	1.4
151.14796	1.3
155.01074	5.3
161.13213	1.7
163.14789	1.1
165.16177	1.0
173.02104	2.5
198.05276	1.5
216.06371	3.2
245.22650	1.7
263.23730	6.6
293.36331	1.1
306.27921	19.7
337.27374	100.0
338.27646	1.6
460.28201	4.1
478.29437	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	478.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27872	0.4
65.07662	0.4
68.07634	0.4
70.02960	0.7
70.06596	100.0
70.37945	1.4
71.06927	0.7
75.06982	0.4
75.89273	0.5
84.04475	0.5
87.05604	2.6
88.04023	0.8
91.05478	6.0
98.02411	2.6
98.21289	0.7
102.05508	0.5
103.05477	1.7
116.07096	1.6
120.08111	41.5
129.07037	0.7
130.04996	1.2
130.06532	16.7
144.08087	1.8
147.04330	0.5
172.07573	6.8
175.08670	9.2
189.10260	1.0
199.10844	3.1
200.07036	0.9
216.11243	0.6
217.09869	4.9
217.11835	81.4
218.12138	0.9
227.11766	0.5
233.00778	0.5
234.12381	17.5
254.85347	0.5
262.11853	3.1
299.72601	0.6
300.13550	0.8
359.17065	2.0
364.18579	0.6
381.82458	0.5
395.14883	0.6
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
51.07260	0.3
53.03933	0.8
54.03609	0.2
55.01867	0.5
55.05515	12.9
57.03186	0.5
57.03442	7.3
57.07081	1.8
62.06086	0.7
63.40034	0.3
65.03938	0.8
67.05508	27.7
69.07072	16.1
69.07410	0.2
69.72543	0.2
70.06356	1.4
71.05016	0.6
71.08620	0.9
79.05055	0.5
79.05498	8.1
81.07059	26.6
82.77893	0.2
83.04966	0.6
83.08624	7.4
85.06533	0.6
91.05482	5.1
91.94656	0.3
93.07051	7.7
95.04977	0.7
95.08610	21.0
97.06540	1.7
97.10166	3.4
98.06062	0.6
98.21228	0.7
98.98484	0.5
99.08084	0.4
105.07020	3.3
107.08599	4.1
109.06570	0.4
109.10161	7.8
109.10904	0.5
111.08079	1.1
111.11723	0.7
119.08591	2.7
121.10152	3.0
123.08103	0.4
123.11722	3.2
125.09605	0.6
133.10120	3.2
135.11679	1.7
137.13242	1.0
140.60451	0.3
147.11684	1.5
149.13223	0.5
151.14842	0.3
161.13266	0.9
163.14827	0.6
175.14809	1.1
175.47789	0.3
179.14395	0.3
197.46008	0.3
198.05267	0.4
216.06207	0.6
245.22676	0.3
263.23734	1.1
279.95602	0.3
305.33594	0.3
306.27930	4.4
337.27371	100.0
338.27713	2.7
478.29752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73867	0.2
53.03954	0.2
54.03468	1.6
56.24387	0.2
59.22108	0.2
69.03426	0.4
70.06590	2.4
71.23550	0.5
71.23866	0.2
72.08147	0.4
77.26492	0.2
80.05009	1.4
81.03417	0.8
81.04542	27.0
84.04500	0.3
84.08141	0.5
85.02882	0.5
86.06029	0.3
86.09717	0.5
89.03926	1.1
91.05460	0.3
95.06062	0.3
96.73418	0.3
109.02864	0.3
110.07204	0.4
113.07098	0.2
116.07080	0.5
117.03375	4.9
118.70992	0.2
120.08098	0.5
122.07153	100.0
130.06502	0.6
134.03654	0.3
140.08188	22.3
145.02850	13.7
149.05983	1.9
160.07585	0.8
177.05476	18.5
182.09340	0.2
217.09952	0.4
217.11720	1.2
229.54411	0.2
234.12451	0.4
262.26208	0.2
296.17490	0.3
302.04129	1.5
302.13474	3.3
317.06580	1.8
321.09592	0.6
387.98294	0.2
460.17313	0.8
478.18234	39.5
479.18585	0.5
494.74219	0.3
498.99094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51916	1.3
52.96099	1.8
53.78343	1.5
54.37220	1.6
55.05514	7.0
57.03437	3.6
58.77505	1.2
62.06096	34.7
65.03934	1.4
67.05507	34.0
69.07076	8.6
70.64201	3.7
73.98563	1.5
79.05502	20.0
81.07064	23.7
82.67570	1.4
83.08610	4.2
85.19662	1.4
91.05474	9.5
93.07056	23.1
93.78864	1.5
95.08617	18.2
97.10142	1.6
98.21377	1.8
98.25489	1.4
98.98481	8.4
105.07033	9.0
107.08587	11.0
109.10177	8.5
109.21448	1.3
110.89498	1.3
114.73321	1.5
119.08604	6.2
121.10149	8.0
123.11732	1.7
124.01629	2.8
131.08568	3.3
133.10149	4.9
135.11713	6.4
142.02670	2.4
145.10115	4.6
147.11702	3.5
149.13298	3.3
155.01030	5.1
161.13237	1.8
173.13202	1.5
175.14888	2.0
187.14813	1.4
198.05228	1.9
200.21172	1.5
216.06374	4.7
239.92987	1.3
243.21002	2.5
261.22192	7.1
304.26315	13.7
335.25836	100.0
336.26047	2.4
361.23160	1.5
429.05954	1.7
458.26593	4.5
476.27774	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01861	0.5
55.05516	8.1
57.03188	0.5
57.03440	7.5
57.07061	0.7
60.06278	0.3
62.06085	0.8
65.03932	0.9
67.05507	28.2
69.06728	0.5
69.07073	6.7
69.70852	1.7
71.04983	0.5
79.05494	14.0
81.03416	0.5
81.07059	24.2
81.23672	0.3
82.53798	0.3
83.04978	0.4
83.08619	2.7
85.06525	0.4
88.26151	0.3
91.04962	0.5
91.05489	6.1
93.07047	16.0
95.04977	1.6
95.08611	19.2
96.08933	0.4
97.06548	0.5
97.10163	0.4
98.06068	0.7
98.20826	0.9
98.21542	0.6
98.98444	0.8
100.07550	0.4
105.07029	3.6
107.08600	7.2
109.06519	0.8
109.09457	0.4
109.10160	6.8
112.05025	0.4
115.12698	0.3
117.07018	1.3
119.08582	2.9
121.10139	5.3
123.08082	0.5
123.11705	2.0
124.01617	0.6
125.09629	0.3
131.08568	2.0
133.10124	2.0
135.11687	3.2
137.13237	0.6
145.10121	1.6
147.11719	1.0
149.13260	0.7
159.11749	0.7
161.13252	1.1
163.14818	0.4
173.13275	0.7
175.14766	0.4
179.14307	0.3
187.14677	0.4
198.05229	0.5
215.60753	0.3
216.06357	0.5
232.60597	0.3
255.52231	0.3
261.22134	1.2
283.50320	0.3
304.26364	3.0
335.25797	100.0
336.26224	1.9
479.70901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12405	2.0
53.03936	3.7
54.58803	2.2
55.01870	3.0
55.05506	10.8
57.03228	1.8
57.03441	19.2
57.07077	56.9
57.21516	1.6
61.02928	61.2
67.05502	19.7
69.03432	25.5
69.07069	12.1
71.01338	4.0
71.04987	4.8
71.08635	30.0
71.57465	2.6
73.02916	26.4
75.04469	3.2
79.05482	5.7
81.03420	18.7
81.07063	30.5
83.04978	2.6
83.08615	18.3
85.02903	54.8
85.10173	18.8
87.04440	1.9
91.03956	39.2
91.05482	5.6
93.07056	4.7
95.08609	30.7
97.02275	3.3
97.02894	52.1
97.10151	8.5
98.21275	2.6
99.04470	9.4
101.02370	12.5
103.03922	7.3
103.07513	2.0
105.07025	4.2
107.08582	2.5
109.02859	9.9
109.10159	16.0
111.11721	2.5
115.03923	5.2
121.10215	2.6
123.11721	5.4
127.03906	20.6
129.05511	2.8
137.13271	5.5
139.44766	1.9
145.04962	6.8
150.93546	1.9
159.06558	3.3
183.06526	5.5
184.74380	1.9
201.07539	2.1
239.23720	26.9
257.24759	5.0
313.27365	100.0
314.27719	1.9
341.26993	4.1
352.86966	1.8
355.28314	2.1
383.27573	2.6
457.31537	4.7
459.69220	2.1
475.32822	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.01854	3.7
55.05497	3.7
56.60781	1.1
57.03419	1.8
57.07083	1.3
59.86115	1.1
67.05500	5.9
69.03416	4.4
69.07064	10.8
70.06601	2.9
70.73862	1.9
70.74203	2.4
78.11707	1.1
79.05491	6.4
81.03408	4.6
81.06701	1.1
81.07057	11.2
83.04972	1.4
83.08621	3.9
85.02898	8.0
85.38644	1.0
87.00821	3.0
91.05457	5.3
93.07040	13.6
95.04930	1.5
95.08608	14.5
96.12704	1.2
97.02921	6.2
97.06487	1.5
97.10194	1.7
99.04469	1.5
103.05463	1.9
105.01882	3.3
105.07035	10.4
107.08587	17.7
109.02862	4.8
109.10151	7.0
110.10448	1.6
117.07018	1.8
118.06557	1.9
119.08585	16.3
121.10150	15.9
123.11628	1.8
126.77848	1.1
127.03912	4.9
130.06526	92.6
131.06880	1.3
131.08597	1.9
131.30916	1.1
133.10141	9.8
135.11697	17.3
136.07530	1.2
137.09604	3.1
142.24423	1.2
145.04961	3.3
146.06059	2.2
147.11664	4.1
148.07585	3.4
149.13245	2.1
149.71559	1.2
159.02905	2.1
168.06685	1.5
173.07153	1.4
175.14821	35.7
177.16379	64.7
191.89651	1.4
193.15874	12.1
197.07240	1.6
197.10757	3.1
199.08643	4.9
211.08653	22.5
212.09341	6.0
213.10257	5.9
221.10838	1.6
224.09451	3.8
225.06650	13.3
225.10196	23.7
226.10930	3.4
227.08182	2.6
227.11743	1.3
231.05051	1.7
232.13504	1.4
237.10283	1.8
239.08150	2.9
239.11768	14.8
240.08896	2.9
241.09761	6.9
241.13350	2.4
245.12802	2.3
249.10318	1.7
251.11841	2.7
253.09723	15.9
254.10431	3.9
255.11298	6.6
257.12772	1.7
267.07755	3.4
267.11264	26.1
268.11945	4.1
269.12842	2.4
279.11188	1.6
281.09250	1.9
283.10776	4.5
284.11301	2.3
285.12253	6.7
295.10742	20.0
297.12308	5.4
301.11798	4.7
303.13345	3.3
313.11813	61.8
314.12158	3.4
315.13379	16.4
323.10345	2.1
329.11292	3.2
341.11328	25.1
342.12119	2.7
350.65982	1.3
356.17493	1.6
384.17050	3.8
412.16425	2.0
414.18021	2.6
430.17636	18.8
432.19171	20.4
440.15607	1.8
458.17102	100.0
459.17297	3.3
476.18246	11.0
476.24564	1.4
476.28024	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2668
Annotation	Ala Gln Thr Arg
Peak:m/z	Relative Intensity
55.05485	1.6
56.98731	1.2
63.16894	1.2
67.05492	2.8
69.84987	5.9
74.67415	1.2
76.64259	1.5
79.05492	2.4
81.07053	4.3
91.05465	2.1
93.07029	1.7
95.08583	1.7
98.20985	3.7
99.23109	1.2
105.06991	1.9
109.10205	1.2
111.52126	1.2
112.23766	1.6
113.12558	1.5
119.08553	1.5
196.02710	1.2
223.19681	1.3
238.18106	2.2
463.21158	1.3
475.26633	100.0
476.27225	2.0
500.02985	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2489
Annotation	Guan-fu-base F N-oxide
Peak:m/z	Relative Intensity
53.03945	4.2
55.01867	2.3
55.05497	7.4
57.03432	2.5
57.07060	5.5
59.04980	2.0
65.03906	2.8
67.05506	10.5
69.03401	6.1
69.07062	5.4
70.06572	4.8
71.04977	4.1
71.58595	1.8
75.03889	1.8
79.05487	19.7
80.05007	3.9
81.07058	17.3
82.06562	4.2
83.04967	6.0
83.08608	2.9
84.04500	4.7
85.02879	4.5
85.06523	5.2
86.09694	5.9
87.04476	4.1
91.05477	24.6
93.07042	16.7
93.24336	1.9
94.02927	5.7
94.06557	6.5
95.04968	8.6
95.08591	9.5
96.04487	3.4
97.02871	3.4
97.06514	7.5
101.02392	1.9
103.05479	3.9
105.06384	2.5
105.07030	34.1
106.06537	4.8
107.07343	1.9
107.08588	23.5
108.04466	3.0
108.08088	3.7
109.06528	10.6
109.10138	6.8
110.02393	3.4
110.06031	9.9
111.08072	2.2
113.09622	3.0
114.01904	8.3
115.05424	4.4
117.07023	11.0
118.06523	4.8
119.04883	2.4
119.07798	3.4
119.08585	48.6
120.08087	6.3
121.06494	3.0
121.10178	13.9
122.05982	2.8
123.08057	6.3
123.11713	2.3
124.03929	3.7
124.07537	2.2
125.09641	3.3
126.05502	6.6
128.03406	3.3
128.06210	6.4
129.06969	7.5
130.06476	3.4
130.07768	2.0
131.07486	3.0
131.08560	22.1
132.08054	3.3
133.10135	19.0
134.05994	7.5
134.09618	2.8
135.08031	7.0
135.11693	4.1
136.03961	2.2
136.07553	2.9
137.09586	6.6
138.05513	2.8
139.91455	1.5
140.03397	7.2
141.06989	4.2
142.07773	9.6
143.08546	26.2
144.08119	3.8
144.09286	4.6
145.08992	2.2
145.10098	27.6
146.09602	5.0
147.08023	7.0
147.11661	9.1
148.07524	9.3
149.09575	4.6
151.07555	7.3
152.03360	2.4
153.07037	2.6
154.04947	6.5
155.08556	6.9
156.09364	11.7
157.10120	24.4
158.07191	1.7
158.09677	4.2
159.08076	6.2
159.11664	15.5
160.07509	2.5
161.09622	5.0
161.13234	4.0
162.05493	6.2
162.09109	2.8
163.03848	2.0
164.07066	3.4
165.09131	14.3
166.05011	3.8
167.08488	5.4
168.08073	6.5
168.09344	3.3
169.08838	3.1
169.10103	10.7
170.09610	3.0
170.10901	4.1
171.11688	19.5
173.09630	5.2
173.13274	12.7
174.05614	1.8
174.09119	2.9
175.11168	7.4
175.14822	4.2
176.07123	3.2
178.04971	21.4
179.08559	2.1
179.10831	2.4
180.06538	5.4
180.09299	2.1
181.10071	6.5
182.10881	4.9
183.11671	14.2
185.13243	5.5
186.09070	2.3
187.11180	3.1
187.14795	2.7
188.05475	6.5
189.12633	2.5
191.14282	4.7
192.06516	6.2
193.10100	5.9
194.10844	2.9
195.11708	7.5
197.09639	2.3
197.13245	13.0
199.11137	8.0
199.14882	10.8
201.12820	2.5
203.14268	7.1
204.06531	2.0
206.08153	3.0
207.11678	6.0
207.13629	3.6
208.12532	3.5
209.13275	3.0
209.15276	3.0
213.12772	2.8
215.14276	7.9
217.15904	4.4
218.08305	2.0
220.09706	2.3
221.13223	5.6
221.15295	25.9
223.14839	13.0
225.12720	7.3
228.08607	8.5
237.16275	3.4
239.17908	4.0
240.08620	6.8
241.15881	3.6
243.13829	11.0
248.09235	2.2
248.15504	2.2
252.08643	25.5
253.16107	2.0
254.10127	3.4
263.17883	8.8
266.07635	2.9
266.10254	29.3
273.18225	2.9
274.19345	2.4
281.19003	14.2
285.18570	2.0
287.19952	4.7
299.20059	100.0
300.20499	3.7
306.13385	6.3
316.11920	2.3
318.13156	2.2
344.14764	2.4
394.18698	17.2
400.21384	1.8
438.22577	7.6
456.23874	16.3
462.26852	2.1
474.17197	5.9
474.24762	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	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01869	1.9
55.05504	1.8
57.03432	2.9
59.04993	4.6
60.04534	1.6
61.02926	1.5
67.05505	5.5
69.03432	6.9
69.07063	1.9
69.87462	2.1
69.87869	3.8
70.06590	4.4
71.04987	4.4
73.02920	1.9
79.05494	4.7
81.03420	5.3
81.07079	5.4
83.04958	1.2
84.04488	2.2
84.08150	2.3
85.02904	15.0
85.06557	1.8
86.09716	1.6
87.00825	3.8
87.04440	1.0
89.06022	3.4
91.05486	5.6
93.07059	5.4
95.04972	4.8
95.08595	4.9
97.02876	5.0
97.06535	3.6
99.04465	2.5
103.07568	2.1
105.01865	4.7
105.07042	13.3
107.08595	8.0
108.08078	1.2
109.02868	4.7
109.06516	57.4
109.10172	14.8
111.08058	1.4
111.33259	1.1
115.05447	1.6
117.07019	2.5
119.08572	5.5
120.08154	1.5
121.10173	5.3
123.08082	8.7
127.03912	7.4
129.06987	1.0
130.05020	1.3
130.06548	1.5
131.08569	18.8
133.10129	58.7
135.08064	24.5
135.11679	1.4
136.06166	2.1
137.06050	1.7
137.40504	1.0
143.08516	1.5
145.04970	3.2
145.10097	5.5
146.60680	1.1
147.08057	1.2
147.11679	6.2
149.09631	2.7
149.13316	2.1
153.09143	3.4
158.10921	3.3
159.02927	3.6
161.09520	1.6
163.11177	1.7
166.09348	1.2
173.13254	40.7
174.13602	1.6
191.14310	100.0
209.15366	46.9
220.07610	1.9
252.10149	2.3
301.19580	1.2
438.28769	1.3
456.28879	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	473.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83840	2.9
55.01858	3.3
55.05516	28.5
57.03443	23.2
57.07058	12.3
61.02644	4.6
61.02929	55.7
61.79578	2.6
67.05511	36.7
69.03436	23.3
69.07067	36.3
70.89341	5.8
71.01331	5.5
71.04993	5.3
71.08622	6.0
73.02916	30.4
75.04482	3.3
79.05487	17.9
81.03414	14.7
81.07058	49.6
83.01319	2.9
83.04981	4.8
83.08616	49.5
85.02434	3.4
85.02907	53.7
85.06540	3.2
85.10170	3.5
87.04424	3.7
91.03947	36.1
91.05466	4.5
93.07053	25.3
95.08606	34.2
97.02883	48.1
97.06495	5.9
97.10192	17.4
97.13411	2.8
99.04440	7.1
99.08076	5.3
101.02361	10.7
103.03923	10.1
103.90685	2.9
105.07050	3.8
106.73243	3.1
107.08598	15.8
109.02866	6.2
109.10166	13.6
111.08060	3.9
111.11723	3.8
115.03918	2.9
117.05443	3.4
121.10121	32.1
123.11712	12.6
127.03898	25.8
129.05475	4.6
135.11664	21.9
137.13263	6.1
139.11182	3.9
145.04918	9.3
149.13252	7.7
163.14883	3.0
183.06451	3.3
201.07625	5.1
219.21059	16.6
237.22105	27.6
311.25806	100.0
313.88647	2.7
343.28363	8.0
375.83218	2.8
381.30035	4.0
399.30966	4.6
455.29688	6.8
473.30563	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15115	1.2
51.30936	1.2
53.03936	2.5
55.01860	2.8
55.05507	6.2
57.03430	1.9
59.14306	1.1
67.05492	4.3
69.03414	4.5
69.07070	1.8
70.06580	3.8
70.89363	3.0
71.05008	2.3
73.02891	2.0
79.05486	2.6
81.03419	6.0
81.07048	4.5
83.04946	2.7
84.04494	4.2
85.02911	16.7
87.00829	5.9
91.05476	4.5
93.07026	4.7
95.08593	4.9
97.02907	7.1
97.06525	1.6
99.04467	3.5
100.11248	2.2
105.01875	4.4
105.07005	5.4
107.08558	3.6
109.02867	5.5
109.06543	1.8
109.10149	3.6
119.08570	4.2
121.10126	4.3
123.08078	6.2
123.11715	1.5
125.06011	2.2
125.09621	1.5
127.03951	9.9
129.00011	1.2
129.06567	1.5
130.04967	3.8
130.06473	2.4
131.08467	1.8
132.33936	1.4
133.10150	3.0
135.08034	3.2
135.11681	2.3
135.49440	1.2
136.06169	2.8
137.05960	4.2
137.09622	10.5
145.04961	3.2
145.10162	2.1
147.07881	2.7
147.11667	2.2
149.09619	6.9
151.07468	6.3
153.09096	3.6
153.90283	1.2
155.88573	1.2
159.02901	2.9
161.09668	1.6
161.13208	4.6
163.11168	3.5
165.09120	100.0
165.12759	4.5
166.09483	1.4
167.10649	2.7
171.11678	1.6
176.46312	1.3
178.04982	1.6
179.14294	4.1
189.12721	12.2
192.77837	1.2
207.13815	33.9
213.84990	1.3
225.14841	20.5
231.04881	1.8
269.08179	2.0
274.06296	1.3
291.19617	1.8
311.10397	1.6
317.08151	2.4
328.53482	1.4
329.11282	1.9
349.10703	2.9
455.14117	1.4
463.80981	2.6
472.81906	28.7
473.15695	2.1
473.31897	10.8
473.82465	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1421
Annotation	Erlangerin D
Peak:m/z	Relative Intensity
58.22599	1.3
61.60226	1.2
69.03398	1.5
69.07078	1.8
69.51589	10.8
70.06593	5.6
72.08164	9.5
72.73750	1.4
82.31528	1.4
84.04509	2.6
84.08156	4.3
85.02904	1.6
86.09705	18.8
91.05531	2.1
100.81620	1.5
107.08625	1.7
107.60558	1.2
120.08103	2.5
129.10240	2.8
136.07600	5.5
137.05995	1.8
147.04478	1.4
152.05235	1.9
152.07108	1.7
159.34042	1.4
162.03757	1.8
163.04033	4.6
163.11205	2.6
180.06604	1.6
185.16589	2.7
198.05794	7.6
213.16043	3.0
233.06139	2.0
261.14484	3.3
292.85382	1.6
311.09091	2.1
311.14111	4.7
339.08701	2.3
372.48361	1.5
409.50555	1.4
473.14212	100.0
474.13885	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.2
57.03431	19.0
57.07066	7.7
63.52212	4.8
67.05523	24.1
67.75828	5.2
69.07072	19.5
71.58769	5.2
79.05484	16.1
81.07066	32.8
83.08641	5.8
91.05473	12.9
93.07041	23.6
95.04992	8.2
95.08607	26.2
98.98457	21.7
99.08083	6.7
105.07037	15.1
107.08592	16.1
109.06526	17.8
109.10156	11.0
117.07011	5.7
119.08598	21.4
121.06506	5.5
121.10149	11.5
133.10167	5.7
135.08073	8.9
135.11661	11.7
135.22260	4.7
136.99991	16.3
138.43115	4.6
145.10158	7.4
147.11702	6.4
155.01048	20.8
161.13190	7.7
165.12755	36.4
177.12759	6.8
191.14328	5.0
209.18977	6.2
211.03586	6.5
222.11241	5.2
236.14986	13.4
258.22009	5.0
289.25381	13.4
307.26349	5.6
317.24750	81.1
335.25803	19.7
336.26364	7.8
343.28659	5.6
391.28421	21.3
409.29532	100.0
472.19003	7.5
472.25464	17.8
472.36240	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	472.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	5.3
56.84082	2.1
57.03427	5.8
57.07080	3.0
67.05505	10.9
69.03410	2.2
69.07066	12.3
71.04988	2.3
71.08637	10.3
71.58050	2.9
75.25840	2.1
79.05495	8.1
81.07063	22.5
83.04975	2.6
83.08615	6.3
86.09725	2.0
91.05478	8.4
93.07055	15.3
95.04971	5.2
95.08607	16.5
97.06535	2.6
97.10136	3.6
98.98480	10.6
99.08078	9.9
103.42059	2.0
105.07033	13.3
107.08569	9.0
109.06518	14.9
109.10163	5.6
113.54834	2.3
117.07044	2.5
119.08584	13.9
121.06532	4.9
121.10172	5.4
123.08089	2.7
123.98569	2.3
127.57524	2.1
131.08575	4.8
133.10139	5.8
135.08038	4.2
135.11702	4.8
137.00012	4.3
145.10158	3.9
147.11684	4.5
155.01047	6.0
159.11676	4.5
161.13260	2.4
163.11253	4.5
165.12758	35.3
173.13374	2.1
177.12744	7.0
209.19002	7.6
219.17181	2.0
224.42831	2.6
237.18390	2.4
289.25272	13.5
309.87021	2.0
317.24747	62.0
335.25775	28.9
336.26480	3.4
391.28406	25.1
393.92801	2.7
409.29501	100.0
472.25366	7.9
472.39896	3.4
483.49155	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	471.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41684	2.8
53.03930	6.7
53.77909	3.0
55.01875	5.0
55.05512	31.4
57.03441	23.1
57.07062	9.6
61.02639	4.0
61.02930	64.2
65.03944	2.7
67.05506	74.1
69.03431	33.4
69.07074	29.6
70.02740	13.6
71.01328	3.9
71.04973	5.2
73.02923	37.3
79.05501	31.1
81.03427	19.2
81.07059	100.0
83.04997	6.4
83.08620	15.1
85.02906	66.3
87.04451	3.3
89.58421	2.7
91.03964	48.1
91.05499	31.0
93.07037	26.8
95.04974	5.3
95.08614	59.2
95.63628	3.1
97.02905	55.9
97.06537	6.8
97.10159	6.7
99.04451	10.1
99.08100	11.9
101.02364	12.6
103.03941	9.6
105.07041	19.1
107.04970	3.8
107.08574	17.7
109.02863	11.7
109.10168	22.4
111.11650	2.9
113.09658	6.5
115.03944	5.6
117.05474	4.3
117.06970	3.2
119.08593	19.5
121.10175	21.7
123.08087	3.8
123.11710	13.6
125.09646	2.9
127.03922	22.4
129.05490	3.9
129.07008	4.6
131.08598	4.9
133.10107	13.4
135.11700	15.0
137.09572	3.9
137.13222	8.4
139.11176	3.0
145.04956	9.2
145.10114	5.0
147.11671	11.9
149.09636	3.1
149.13266	5.8
151.14772	4.7
161.13258	11.1
165.12721	3.1
175.14865	5.9
201.07622	5.3
217.19547	20.3
235.20586	14.0
301.21704	3.1
309.24261	92.5
337.23624	3.3
471.29572	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	471.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
54.04065	2.8
55.01875	6.3
55.05502	11.4
57.03424	8.6
57.07056	2.6
61.02922	3.9
64.01917	3.0
65.03934	2.8
67.05508	50.5
69.03435	17.5
69.07058	12.7
70.98926	6.0
71.01329	2.9
71.08651	3.2
73.02917	24.1
75.38416	2.6
78.54691	2.7
79.05497	38.8
81.03416	10.3
81.07059	63.3
83.04980	3.2
83.08599	6.7
85.02900	27.1
85.06569	3.2
87.04448	9.7
91.05499	24.5
93.07045	61.0
95.08617	46.0
97.02892	19.8
105.07034	18.4
107.08588	36.8
109.10183	23.6
109.66911	2.9
111.04456	44.0
115.03934	47.3
117.07001	10.1
119.08569	15.4
121.10162	25.2
123.11718	17.3
125.02352	10.7
127.03921	7.6
129.05466	4.7
131.08568	19.8
133.04979	13.8
133.10165	13.8
134.98201	4.0
135.11699	25.2
137.13217	4.5
139.03914	37.7
143.03433	3.3
145.10165	17.5
147.11684	10.7
149.13271	11.9
153.12727	3.1
157.04988	22.2
159.11684	12.6
161.04440	11.2
161.13223	9.9
163.14847	13.7
173.13228	9.7
175.06004	4.9
187.14832	5.4
193.07025	8.1
233.22559	5.2
243.21120	23.7
261.22150	100.0
279.23254	12.1
292.48798	2.7
435.27322	15.8
453.28561	3.6
471.35352	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	471.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.1
67.05501	9.7
69.07069	4.0
69.70467	4.7
69.70885	2.8
79.05498	11.8
80.29910	1.1
81.07043	9.1
83.08627	1.4
83.84221	1.3
85.62932	1.2
88.22906	1.2
89.03922	7.9
89.04403	1.3
91.05485	10.0
93.07050	9.3
95.08636	5.9
97.06505	1.5
98.20729	1.7
101.55727	1.1
105.07014	5.6
107.08591	4.2
109.10147	1.5
117.03388	22.8
117.04224	1.3
117.07018	1.5
119.08576	4.1
121.10162	6.2
129.06961	1.3
131.08560	2.4
133.10181	3.1
134.03673	1.7
134.98184	5.4
135.11688	5.3
137.05977	4.4
145.02847	51.7
145.10066	2.5
147.11668	2.0
149.05943	8.7
151.64319	1.1
159.11662	1.9
163.03885	1.3
177.05479	100.0
179.06995	1.3
186.05519	2.7
187.30145	1.2
257.19019	1.4
275.20062	4.7
337.27301	2.7
471.24915	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	469.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14127	2.5
53.03938	10.9
55.01861	9.8
55.05301	2.3
55.05515	24.9
57.03440	18.1
65.03935	4.4
67.05506	90.1
69.03429	6.2
69.06768	2.4
69.07072	23.5
70.06581	3.5
70.89137	5.2
71.04980	9.8
74.15560	2.5
79.05496	85.7
81.03407	12.0
81.07062	81.9
83.04990	13.6
83.08625	14.1
85.06551	5.1
91.05482	97.5
93.06464	5.4
93.07047	100.0
95.04974	12.8
95.08616	53.0
95.35792	2.7
97.06513	14.4
97.10172	5.4
98.20925	3.3
99.08100	3.9
105.07035	72.8
107.04955	11.8
107.08595	45.5
109.06503	11.1
109.10167	15.7
111.08080	5.8
115.05444	5.4
117.07018	32.3
119.04994	4.6
119.08592	53.5
120.46252	2.8
121.06514	12.5
121.10148	56.2
123.08083	8.9
123.11724	6.6
125.09607	5.4
128.06215	4.3
129.07016	31.3
130.06540	32.0
131.07005	2.6
131.08577	58.8
133.06490	4.9
133.10126	34.5
135.08054	17.5
135.11665	6.5
137.09573	9.4
139.11174	5.5
140.59810	2.4
141.06970	10.9
142.07721	4.7
143.08572	19.6
145.06413	3.8
145.10143	25.1
147.08026	9.5
147.11679	28.4
149.09631	30.0
149.13249	3.6
155.08542	11.8
157.10143	19.2
159.08035	3.4
159.11717	14.2
161.09653	7.3
161.13248	11.9
163.11177	8.2
165.12741	6.0
167.10661	33.0
169.10117	12.5
171.11678	25.7
173.09639	8.7
173.13229	9.3
175.11163	9.5
175.14865	3.3
177.12672	3.0
181.10161	5.2
183.11697	12.7
185.09787	5.3
185.11694	11.3
185.13254	13.7
187.11194	9.7
187.14825	4.4
189.12723	6.2
193.09995	3.1
193.12189	3.2
197.09760	2.8
197.13297	9.9
199.11259	4.3
199.14793	5.3
201.12769	8.1
201.16330	3.1
207.13863	3.2
211.14848	6.6
213.12749	4.0
215.14256	8.1
219.13788	3.2
221.13290	3.5
221.15346	3.9
225.12750	3.3
229.12305	2.8
233.15388	7.8
235.17053	3.9
241.14252	8.0
247.16982	6.4
267.16028	4.2
277.19504	6.6
282.86703	3.1
285.22101	4.7
295.20667	25.3
303.23233	6.6
309.57703	2.6
313.21603	78.4
314.21729	3.4
315.23129	6.4
323.20010	14.0
331.22662	33.7
341.21140	50.6
349.23694	12.2
359.22308	20.1
377.23120	4.0
387.25244	11.6
405.26187	12.4
415.24820	4.7
416.24542	2.9
433.25888	17.9
451.26959	15.7
451.69760	2.7
458.56537	2.8
469.22842	3.0
469.28195	36.0
470.27985	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	469.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.05507	3.1
57.03455	1.2
67.05512	9.0
69.07055	3.1
69.81683	6.7
70.06570	1.3
71.08624	1.3
79.05505	4.7
80.15091	1.1
81.07048	6.0
89.06041	1.7
91.05475	2.8
93.07024	5.2
95.08614	5.6
98.21269	2.3
105.07049	2.0
107.08595	2.8
109.10155	1.9
121.10189	1.9
128.79912	1.1
130.06548	4.7
133.10135	1.3
134.98195	16.0
166.26389	1.1
176.99228	1.3
209.01886	2.6
227.20050	1.8
335.25879	5.2
357.24005	3.0
375.25070	2.6
437.20694	3.2
451.22198	3.2
469.23282	100.0
470.23486	2.4
488.51001	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.6
57.03433	7.2
57.07063	2.9
58.06602	22.8
59.06926	3.0
62.53413	1.7
67.05509	33.8
69.07070	8.6
69.31770	1.6
69.48211	1.4
71.57581	2.1
76.07646	1.7
79.05493	16.1
80.57583	1.5
81.07058	29.1
83.08614	4.6
91.05477	8.3
93.07064	15.3
95.08613	18.8
98.08537	1.6
101.31734	1.6
105.07030	5.5
107.08598	6.9
109.10162	6.3
115.56005	1.7
119.08559	4.3
121.10164	4.4
130.06601	2.1
131.08585	2.7
133.10110	4.0
134.98193	100.0
149.13321	2.2
170.99095	2.4
176.00764	2.2
189.00209	2.3
190.91527	1.6
236.40912	1.8
263.83417	1.6
277.50500	1.7
313.27191	1.8
314.27634	5.5
335.25784	32.1
357.23993	19.3
416.32492	1.8
469.23264	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33311	6.7
53.03935	19.8
55.01879	17.6
55.05502	29.7
57.03434	7.5
61.02906	6.8
67.05508	56.0
68.99782	15.3
69.03432	41.3
69.07047	27.2
70.06580	11.4
71.58620	8.4
72.00548	7.0
73.02899	15.2
79.05509	38.4
81.03420	41.0
81.07062	63.9
83.04958	12.5
83.08607	8.5
85.02902	93.2
87.00835	39.7
91.05463	32.6
93.07061	61.9
95.04950	14.7
95.08611	61.9
95.44272	7.3
97.02898	40.3
99.04485	13.6
105.01889	20.8
105.07037	68.6
107.08576	47.3
109.02885	35.2
109.06495	13.4
109.10165	46.9
117.07021	16.5
119.08586	60.8
121.10152	49.0
123.08075	12.1
123.11683	18.5
125.09585	13.3
127.03916	56.6
129.07127	10.0
130.05011	8.2
130.06531	100.0
131.06903	41.7
131.08548	21.2
132.07220	12.6
133.10136	30.9
135.11711	25.8
142.06462	10.0
143.08549	8.3
144.04448	9.9
145.04979	19.8
145.10132	36.4
147.11678	47.8
149.13245	21.6
151.07632	8.0
157.10168	15.0
159.02866	19.5
159.11632	14.6
161.13246	15.0
165.12680	14.3
171.11736	9.3
173.13228	9.6
176.35805	7.3
177.12752	8.3
177.16342	13.9
201.16473	9.6
203.17992	65.3
205.19566	12.7
221.18900	35.8
259.12350	18.0
260.12711	17.4
261.12909	27.7
287.20142	7.8
311.19894	11.8
329.21033	10.0
355.41824	9.4
377.10938	8.5
405.18576	7.5
451.22607	9.9
469.23032	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	469.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
57.03432	0.7
61.02918	0.5
64.84535	0.3
65.13030	0.4
68.77715	0.3
68.95246	0.3
69.03417	1.7
69.50122	2.0
70.06588	1.0
71.05013	0.4
72.08149	0.7
79.05494	0.5
81.03405	1.0
84.04507	1.1
84.08138	0.7
85.02912	4.3
86.09696	0.9
90.96751	1.1
91.03940	0.4
97.02900	1.2
97.06525	0.4
98.20740	0.7
98.21346	1.2
99.04379	0.4
103.05494	0.8
105.07050	0.4
116.01690	0.4
127.03897	1.0
130.06528	100.0
131.06847	0.9
142.03226	5.3
144.08096	1.7
145.04959	0.5
145.50230	0.4
147.14311	0.4
147.87311	0.4
151.61024	0.4
154.06427	0.4
167.07289	3.7
168.08089	13.0
169.08784	0.5
180.08090	0.8
181.08702	0.4
182.09648	6.0
184.07455	0.8
190.03596	0.9
207.09241	1.7
208.09935	5.4
224.05260	1.2
225.10257	1.8
226.06949	0.4
241.08005	1.8
259.09015	29.0
260.09427	0.5
307.09381	1.0
374.30038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.4
56.05030	3.3
58.09819	2.0
60.04512	2.3
63.99172	1.8
67.05503	17.9
69.07072	3.1
70.06593	20.0
70.91161	3.9
72.08168	10.2
74.00646	3.6
76.02216	3.7
79.05477	3.8
81.03393	3.8
81.07044	16.9
84.04491	7.6
84.08162	14.1
85.02923	4.9
86.09711	16.2
93.07057	3.3
95.01315	3.8
95.04987	3.5
95.08590	8.6
97.06552	2.6
100.23031	2.3
104.10748	2.8
109.10159	73.6
112.07558	3.0
112.11211	2.5
119.08597	3.5
120.08064	7.1
121.10116	2.7
125.06013	6.3
129.10260	4.2
130.05000	2.2
130.06557	7.0
137.09619	89.1
139.12849	2.1
141.01828	6.3
155.10666	14.7
163.98389	2.2
165.09106	39.3
166.07312	13.9
166.08566	3.4
166.24361	2.1
177.03291	2.7
183.10172	8.7
184.07373	3.1
201.11206	20.8
239.12802	60.9
251.84955	2.1
257.13849	100.0
260.12619	2.4
275.14838	6.1
278.21014	2.3
361.24408	2.2
468.25165	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	467.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.7
57.03440	8.8
57.07079	35.4
59.83577	0.8
62.19416	0.7
65.88726	0.7
67.05505	12.5
69.07076	6.3
71.08635	21.3
73.55979	0.7
79.05479	1.4
81.07061	11.9
83.08185	1.1
83.08626	8.3
85.10179	12.0
89.06080	1.8
90.33916	0.7
90.59080	0.8
93.07047	1.2
95.08057	1.0
95.08614	17.3
96.27776	0.7
97.10189	4.6
98.21125	3.9
98.98473	46.0
104.09219	0.7
109.10165	10.5
111.11717	1.2
116.99544	1.1
123.11737	3.6
137.00015	3.8
137.13310	1.0
155.01053	50.9
173.11729	0.9
193.02676	1.3
211.03699	1.9
229.04723	1.7
239.23634	5.3
257.24680	1.0
313.27374	100.0
393.23999	2.3
449.26675	12.6
450.80051	0.8
467.17325	2.4
467.37122	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	468.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
53.46515	1.8
55.01878	4.6
57.03434	5.4
61.02912	6.5
67.05496	2.6
69.03431	30.7
69.42885	2.0
69.43211	16.3
70.06575	6.3
71.04988	4.8
73.02924	3.4
76.02221	3.1
79.05494	4.3
81.03419	35.5
82.88424	1.9
83.01356	2.0
84.04481	3.3
85.02906	90.5
86.09696	4.7
87.00838	32.5
97.02273	3.7
97.02891	54.2
97.10136	1.8
98.21088	8.3
99.04443	13.8
103.05447	3.6
105.01867	92.5
105.07035	48.4
105.07548	1.0
105.96290	1.8
108.04488	8.4
109.02883	44.1
120.08127	2.9
126.05520	4.2
127.03922	100.0
129.01799	3.0
129.37003	2.1
130.05020	4.6
133.06497	4.1
145.04974	29.6
159.02867	11.6
159.80031	2.2
189.03963	3.4
213.03958	7.6
213.09073	6.1
231.04994	40.2
231.10057	4.0
248.07642	8.3
249.06056	27.6
266.08762	28.8
285.65662	2.0
335.11435	3.6
353.12299	3.4
388.16034	14.6
408.91922	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	467.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58506	0.9
55.01884	1.0
55.05518	4.6
57.03439	9.4
57.07079	32.1
63.93650	1.0
66.77237	0.8
67.05515	10.1
69.07085	6.0
69.88649	5.2
71.08279	1.5
71.08639	21.6
81.07061	11.2
83.08619	7.0
85.10184	12.6
89.06042	1.5
93.07073	1.6
95.08607	12.6
97.10168	3.9
98.21078	2.8
98.98473	45.3
98.99117	2.3
108.68370	1.0
109.10178	8.1
111.11797	1.0
111.57442	0.9
116.99488	1.2
123.11708	2.6
136.99985	3.8
137.13274	1.7
155.01050	46.8
229.04756	2.0
239.23753	5.7
313.27383	100.0
393.24445	1.3
449.26526	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	467.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
55.05502	3.0
59.92271	1.1
60.11272	0.9
64.00546	1.0
65.22073	1.0
67.05523	5.6
69.03411	1.2
69.07063	4.4
70.06579	3.6
70.23885	2.3
76.02279	1.1
79.05503	5.1
81.03436	2.9
81.07061	4.4
81.51463	1.0
83.05005	1.7
83.08601	1.5
84.04538	1.5
85.02902	2.0
87.00794	1.4
91.05489	4.0
93.07054	5.3
95.04945	2.6
95.08604	2.7
97.06571	2.4
98.21014	2.3
103.05468	2.5
105.07031	2.5
107.04949	1.5
107.08594	3.2
109.02894	1.6
109.06502	1.5
109.10155	1.2
115.05449	2.6
117.07020	1.5
119.08576	3.1
121.06533	1.9
121.10185	1.9
125.05955	1.4
125.09628	1.2
130.06534	100.0
131.06903	1.5
131.08569	1.6
133.10138	1.8
135.08070	1.0
142.06537	4.2
143.07156	2.9
144.08083	3.7
145.10202	1.1
149.09613	1.3
160.07599	1.9
167.07248	1.9
187.11189	1.9
217.08841	1.7
218.09499	1.3
232.11217	1.1
233.15433	1.0
241.08913	1.2
242.09717	3.4
243.09247	4.5
244.09973	7.4
256.10110	2.3
257.10815	11.3
258.11215	2.3
259.12305	94.1
260.12640	2.9
291.11728	1.1
311.20151	2.5
321.18405	1.2
329.21054	1.2
332.11145	1.9
339.19556	2.3
357.20569	3.7
375.21573	2.9
405.31778	1.0
449.25412	2.8
467.21936	2.5
467.27319	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09734	0.2
56.72676	0.2
67.05511	0.2
68.16259	0.2
68.61529	0.2
69.07061	0.3
70.06596	0.3
70.61224	0.2
71.58667	0.4
78.26664	0.2
79.05492	0.2
81.07076	0.4
85.02901	0.2
89.06065	0.2
90.23191	0.2
91.05492	0.3
93.07066	0.3
95.68905	0.2
103.05437	0.3
111.11750	0.2
117.05769	0.4
119.08620	0.3
130.06531	100.0
131.06871	2.5
133.19115	0.2
143.07265	0.6
161.65370	0.2
172.07605	0.6
173.08009	0.4
219.05783	0.3
259.12247	1.7
290.13797	0.4
306.09708	10.3
314.05463	0.2
318.09662	0.7
435.15451	0.5
461.62341	0.2
466.12717	0.3
466.19507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23864	1.0
55.01870	9.2
55.05518	22.2
57.03446	9.3
57.07082	11.5
67.05506	9.2
69.06719	1.6
69.07071	25.1
71.08645	5.2
73.02902	6.2
79.05496	5.9
81.07059	7.9
83.08627	20.4
85.10181	1.3
91.05491	1.6
92.92769	1.0
93.07038	6.5
95.08625	6.3
97.06518	3.4
97.10174	15.4
97.74072	1.0
98.98473	52.3
107.08586	4.0
109.10167	3.0
111.08042	1.6
111.11701	4.5
121.10126	7.1
129.05469	2.6
135.11676	3.9
136.21729	1.2
136.99988	3.2
137.13261	1.7
149.13278	1.4
155.01050	48.5
175.01723	1.2
193.02661	1.7
211.03720	2.2
219.21107	2.8
229.04788	3.1
237.22124	9.7
256.78220	1.2
301.27090	1.0
301.36096	1.2
303.05005	3.7
311.25815	100.0
312.26077	2.4
342.75949	1.0
342.98059	1.1
447.25006	12.9
465.28046	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01877	0.9
55.05511	35.6
57.03449	1.7
57.07077	14.0
59.05001	4.2
61.42760	0.4
63.74065	0.3
65.03937	2.0
66.55202	0.4
67.05504	100.0
68.05843	0.5
69.07069	37.1
70.54626	1.3
71.04993	2.7
71.08630	10.1
79.05490	2.6
81.06573	0.7
81.07057	15.3
83.08620	33.7
85.06546	2.2
85.10175	3.5
91.05479	6.4
93.07053	3.4
95.04981	0.8
95.08611	5.7
97.06527	0.6
97.10170	24.2
107.08598	2.2
109.10155	72.8
110.10478	0.6
111.08072	2.7
111.11718	8.7
111.12427	0.7
117.07028	0.4
119.08577	5.3
121.10159	0.5
125.13282	2.3
127.11235	0.8
135.11662	0.4
137.09619	3.2
139.14850	0.5
149.13231	0.5
153.07129	0.3
155.10666	4.7
173.11739	30.0
173.44388	0.4
198.20244	0.3
211.13300	0.5
229.14398	0.5
237.22131	2.5
259.61093	0.4
303.05066	1.4
465.35764	78.8
466.36172	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01859	14.6
55.05515	26.4
57.03428	8.7
67.05217	4.0
67.05511	44.8
69.03429	11.6
69.07078	26.7
70.05800	17.8
71.04974	6.6
78.76910	3.8
79.05495	75.3
81.03406	15.3
81.07066	40.8
83.04959	6.8
83.08604	18.1
85.02905	4.9
86.09037	3.7
91.05486	60.2
93.07043	58.7
95.04974	54.5
95.08616	30.8
97.06551	10.8
97.10170	26.9
98.21230	9.2
103.05441	4.2
105.03377	3.6
105.07036	38.1
107.04965	34.2
107.08610	33.2
109.06506	12.0
109.10151	14.7
115.05431	6.3
117.07036	36.9
119.04949	6.4
119.08572	20.3
121.06514	36.9
121.10142	10.3
123.08020	8.8
125.09612	14.5
128.06223	7.3
129.07027	25.8
130.06526	33.0
131.04910	8.3
131.08553	22.2
133.06491	16.8
133.10143	8.3
135.08061	39.6
135.11707	14.0
137.09601	11.2
141.07030	9.1
142.07828	3.8
143.07051	9.2
143.08556	13.9
145.06479	11.9
145.10092	23.5
147.08054	10.2
147.11716	9.5
149.09593	9.3
155.08533	10.4
157.10139	16.4
159.08096	8.3
159.11638	10.0
160.07553	21.0
161.09497	6.5
163.07538	10.0
163.11191	11.4
165.00018	3.8
165.09166	4.8
167.08516	4.7
169.10143	7.6
169.65521	4.0
171.11765	8.8
173.09599	10.8
175.11209	22.9
177.09140	5.3
183.08092	3.9
183.11719	9.1
185.09634	5.9
185.13318	6.7
187.11191	6.9
189.11263	9.6
193.12308	4.0
197.09811	3.4
199.09641	21.3
199.11206	5.4
201.09131	5.3
203.10728	9.1
203.14278	4.5
211.13203	6.0
213.12685	5.8
215.10648	4.9
221.11731	8.1
223.13231	8.6
227.12770	13.6
249.14705	6.8
275.40933	4.0
299.20120	6.8
303.05002	13.1
309.18665	18.0
311.20068	5.9
311.29852	4.0
317.21191	4.5
327.19565	100.0
329.21100	14.5
345.20596	52.4
363.21649	66.2
401.23300	21.3
419.24338	75.7
437.25168	12.4
447.23679	5.6
465.24686	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
52.81227	0.4
53.03945	0.3
55.05505	1.2
56.05021	0.4
57.03428	0.5
61.02639	0.4
61.02933	6.9
68.99797	0.7
69.03419	1.2
69.07066	0.4
69.47295	2.1
69.47699	0.9
70.06598	2.8
72.08154	3.4
73.02919	1.9
81.03423	0.7
84.04514	1.3
84.08143	3.9
85.02914	5.8
86.09702	2.2
91.03963	3.2
91.05486	0.6
95.04963	0.8
97.02893	2.8
98.21069	1.5
99.04445	0.4
102.05566	0.7
103.05439	0.4
109.02879	1.0
111.00821	0.8
115.05484	0.3
120.08092	4.5
121.02872	1.6
123.04427	0.4
127.03939	0.9
129.06624	0.6
129.10260	2.7
130.05005	0.8
130.06506	0.5
135.04433	0.5
136.07576	0.9
137.02351	3.8
143.11827	0.4
143.16240	0.3
145.04919	0.5
149.02379	0.6
153.01839	5.5
155.04915	0.4
163.03914	0.8
165.01839	2.6
170.06035	0.4
173.06056	0.4
173.12907	0.5
183.02931	1.0
187.03894	0.5
201.05444	2.4
201.12271	0.7
205.09821	0.4
213.05183	0.5
219.06537	0.6
229.04980	5.1
234.32706	0.4
237.12271	0.4
243.99066	0.3
247.05995	0.8
257.04434	2.9
274.04678	0.8
285.03976	1.3
287.05630	0.5
303.05008	100.0
304.05331	2.0
315.05185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.2
60.05649	1.3
67.05507	5.4
69.03438	2.0
69.07057	2.0
70.06577	5.1
71.58097	1.4
76.88588	1.3
79.05498	6.1
81.03415	2.7
81.07050	6.5
83.00591	1.4
84.04498	2.6
85.02924	3.2
86.09700	6.9
91.05483	14.7
93.07049	4.7
94.04192	1.6
95.04967	2.9
95.08607	3.8
97.02874	2.1
99.04384	1.9
103.05477	10.8
105.07053	10.3
107.04967	12.1
107.08577	2.2
109.02891	2.1
109.06556	1.9
109.10194	4.3
115.05454	4.1
117.07024	2.9
119.04964	13.4
119.08626	2.4
120.08110	7.5
121.06530	4.5
122.03646	3.5
123.08105	1.9
127.11107	1.6
130.04115	1.7
130.06535	2.3
131.04942	4.0
131.08528	1.6
133.06468	8.7
133.10150	2.1
135.04428	1.9
135.08125	3.7
135.11682	1.5
137.05981	100.0
137.09605	3.9
145.06516	2.1
145.10193	1.5
146.06137	1.7
147.04422	12.6
148.05159	5.5
149.05878	2.1
150.06766	2.4
151.07564	4.0
157.06441	3.2
161.05975	24.7
161.09641	4.3
162.06776	12.5
163.07536	18.9
165.09076	2.0
174.06799	5.6
175.07574	3.5
177.09105	13.0
179.07063	4.2
184.07317	15.6
189.09091	23.9
193.03242	3.5
197.06000	2.6
201.09184	1.6
216.13815	1.9
219.10184	3.6
265.43915	1.4
265.91635	1.8
272.10474	12.7
281.11749	1.7
284.10449	2.1
293.11771	12.7
313.14362	15.0
318.06927	2.0
325.14481	7.6
363.61197	1.4
464.17929	5.1
464.29449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.2
60.05649	1.3
67.05507	5.4
69.03438	2.0
69.07057	2.0
70.06577	5.1
71.58097	1.4
76.88588	1.3
79.05498	6.1
81.03415	2.7
81.07050	6.5
83.00591	1.4
84.04498	2.6
85.02924	3.2
86.09700	6.9
91.05483	14.7
93.07049	4.7
94.04192	1.6
95.04967	2.9
95.08607	3.8
97.02874	2.1
99.04384	1.9
103.05477	10.8
105.07053	10.3
107.04967	12.1
107.08577	2.2
109.02891	2.1
109.06556	1.9
109.10194	4.3
115.05454	4.1
117.07024	2.9
119.04964	13.4
119.08626	2.4
120.08110	7.5
121.06530	4.5
122.03646	3.5
123.08105	1.9
127.11107	1.6
130.04115	1.7
130.06535	2.3
131.04942	4.0
131.08528	1.6
133.06468	8.7
133.10150	2.1
135.04428	1.9
135.08125	3.7
135.11682	1.5
137.05981	100.0
137.09605	3.9
145.06516	2.1
145.10193	1.5
146.06137	1.7
147.04422	12.6
148.05159	5.5
149.05878	2.1
150.06766	2.4
151.07564	4.0
157.06441	3.2
161.05975	24.7
161.09641	4.3
162.06776	12.5
163.07536	18.9
165.09076	2.0
174.06799	5.6
175.07574	3.5
177.09105	13.0
179.07063	4.2
184.07317	15.6
189.09091	23.9
193.03242	3.5
197.06000	2.6
201.09184	1.6
216.13815	1.9
219.10184	3.6
265.43915	1.4
265.91635	1.8
272.10474	12.7
281.11749	1.7
284.10449	2.1
293.11771	12.7
313.14362	15.0
318.06927	2.0
325.14481	7.6
363.61197	1.4
464.17929	5.1
464.29449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03460	1.6
67.05505	0.3
69.03432	0.6
70.06594	2.2
70.57699	1.0
72.08156	1.0
77.12627	0.3
79.05483	0.7
80.05009	1.3
81.03491	1.5
81.04540	26.5
84.04482	0.5
84.08128	1.3
85.02899	1.0
86.09712	0.7
89.03907	1.9
91.05491	0.5
95.04963	0.4
95.06066	0.4
97.02883	0.4
107.04967	0.5
117.03368	1.8
118.06490	0.6
120.08107	0.6
122.07151	100.0
123.07430	0.3
129.10236	0.9
135.04431	3.8
140.08188	24.9
145.02856	3.9
145.07608	9.4
147.04436	0.8
147.11786	0.3
159.09216	0.6
163.03909	19.8
163.08653	0.6
164.04251	0.3
177.05505	0.5
185.09142	0.3
193.12230	0.5
237.00635	0.4
255.01595	0.4
267.15863	0.4
277.12524	0.3
278.57291	0.3
285.12482	0.3
285.16971	0.8
302.07437	0.3
302.13431	3.6
302.19470	0.7
303.04883	1.5
307.08081	0.5
324.22864	0.3
446.15195	0.5
464.16504	38.5
465.16843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90339	2.3
55.05507	13.0
57.07079	23.4
67.05500	9.4
69.07074	18.4
69.30685	16.8
69.31092	6.0
71.08634	20.0
79.05506	6.5
80.90460	2.3
81.07049	18.2
83.08644	12.9
85.10175	11.0
91.05457	3.1
93.07040	8.9
95.08622	14.1
97.10172	8.6
99.04468	4.2
105.07039	6.1
107.05009	3.0
107.08604	5.2
109.06541	14.1
109.10160	7.4
111.11703	4.7
119.08579	4.0
121.06479	3.0
121.10126	4.6
123.08068	8.6
123.42937	2.4
125.05988	12.7
125.09669	3.9
127.07562	37.4
135.08058	3.3
137.05991	3.1
137.09599	3.1
139.07539	100.0
140.55695	2.4
147.11705	3.8
149.09544	2.8
151.07538	7.7
151.11143	3.2
165.09030	4.0
167.07057	5.2
177.09143	11.6
237.15118	2.9
286.04736	8.5
301.07101	11.9
319.29974	10.6
333.08365	2.9
347.33054	11.7
373.31168	6.0
399.35928	3.5
417.37277	15.2
425.39807	3.1
445.36774	36.1
463.37820	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.1
55.01867	10.2
55.05515	45.2
57.03428	13.9
57.07064	4.0
65.03936	10.8
67.05509	99.2
68.24582	4.0
69.07070	32.7
71.04978	8.8
71.58382	5.1
79.05493	76.2
81.07060	90.8
83.04954	6.0
83.08614	17.1
91.05482	100.0
92.67707	4.7
93.07044	65.0
95.04966	15.0
95.08598	58.9
97.06519	7.8
97.10172	6.3
103.05480	5.3
105.06370	8.5
105.07027	93.9
107.04955	7.8
107.08575	30.9
109.06545	12.2
109.10171	20.8
111.08099	5.4
115.05457	9.1
117.07019	49.3
119.08591	54.8
121.06499	7.1
121.10136	26.0
122.70068	4.3
123.08075	5.0
125.09603	4.4
128.06226	5.8
129.07008	38.2
131.08574	78.9
133.06494	6.9
133.10127	34.6
135.08066	9.9
135.11687	14.1
141.06999	11.7
143.08553	33.0
145.06485	6.9
145.10124	45.1
147.08043	9.0
147.11613	11.1
149.09624	10.7
149.13231	6.7
155.08578	16.1
157.10124	22.5
159.11696	19.3
161.09651	6.9
161.13338	5.8
167.08485	9.1
168.09270	5.5
169.10114	12.6
171.11697	15.1
173.13261	6.5
177.12756	6.0
181.10161	7.2
183.11708	10.2
185.13321	9.3
187.11218	7.1
190.22487	4.0
195.11699	7.6
197.13197	8.5
199.14806	5.9
209.13216	6.9
211.14941	5.8
215.14296	5.5
217.15810	5.3
229.15909	5.7
233.15337	5.8
243.17575	4.8
247.16925	5.8
259.16754	5.4
286.04730	8.3
301.06897	5.7
325.25348	6.1
335.23746	10.3
343.26471	20.9
353.24799	49.7
371.25729	69.0
389.26904	69.2
427.28491	8.3
445.29486	95.9
463.30753	58.0
472.74097	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	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.2
55.05523	22.6
57.07064	8.8
67.05182	3.6
67.05509	51.1
69.07081	22.4
69.95200	17.1
71.04980	5.9
73.00339	3.4
78.74565	3.9
79.05501	45.9
81.07060	58.5
83.04976	4.1
83.08615	12.9
85.06484	3.9
87.04453	5.5
89.06025	15.5
91.05484	70.6
93.07055	43.6
95.04996	4.3
95.08609	36.8
97.06517	6.6
97.10193	5.0
98.20922	6.1
105.07038	59.8
107.04942	6.1
107.08587	21.3
109.06539	6.5
109.10149	15.9
111.08092	4.7
117.07017	31.8
119.08597	39.4
121.06517	7.6
121.10144	21.8
122.42055	3.4
122.91862	3.7
123.08091	6.7
127.66076	3.8
128.06165	4.2
129.06996	20.2
131.08575	45.0
133.05595	3.5
133.08569	8.7
133.10132	22.3
135.08023	4.5
135.11694	5.2
138.82590	3.7
141.07005	10.0
143.08594	27.6
145.10139	29.6
147.08058	8.2
147.11685	6.2
149.09615	6.6
149.13132	4.2
155.08534	7.1
157.10112	13.6
159.11703	13.3
161.09579	5.2
161.13132	3.5
163.11307	4.5
169.10117	14.0
171.08092	3.9
171.11681	4.6
177.11256	4.5
181.10197	6.7
183.11693	5.0
185.13287	4.5
195.11658	5.4
197.13248	5.0
199.14745	5.4
209.15097	3.3
211.14890	5.3
247.16901	6.4
286.04712	8.8
301.06998	9.6
325.25125	6.6
329.70657	3.6
335.23679	9.5
343.26309	10.7
353.24710	31.1
360.57190	4.0
371.25800	44.5
389.26865	46.2
445.29507	100.0
463.30283	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.2
55.05523	22.6
57.07064	8.8
67.05182	3.6
67.05509	51.1
69.07081	22.4
69.95200	17.1
71.04980	5.9
73.00339	3.4
78.74565	3.9
79.05501	45.9
81.07060	58.5
83.04976	4.1
83.08615	12.9
85.06484	3.9
87.04453	5.5
89.06025	15.5
91.05484	70.6
93.07055	43.6
95.04996	4.3
95.08609	36.8
97.06517	6.6
97.10193	5.0
98.20922	6.1
105.07038	59.8
107.04942	6.1
107.08587	21.3
109.06539	6.5
109.10149	15.9
111.08092	4.7
117.07017	31.8
119.08597	39.4
121.06517	7.6
121.10144	21.8
122.42055	3.4
122.91862	3.7
123.08091	6.7
127.66076	3.8
128.06165	4.2
129.06996	20.2
131.08575	45.0
133.05595	3.5
133.08569	8.7
133.10132	22.3
135.08023	4.5
135.11694	5.2
138.82590	3.7
141.07005	10.0
143.08594	27.6
145.10139	29.6
147.08058	8.2
147.11685	6.2
149.09615	6.6
149.13132	4.2
155.08534	7.1
157.10112	13.6
159.11703	13.3
161.09579	5.2
161.13132	3.5
163.11307	4.5
169.10117	14.0
171.08092	3.9
171.11681	4.6
177.11256	4.5
181.10197	6.7
183.11693	5.0
185.13287	4.5
195.11658	5.4
197.13248	5.0
199.14745	5.4
209.15097	3.3
211.14890	5.3
247.16901	6.4
286.04712	8.8
301.06998	9.6
325.25125	6.6
329.70657	3.6
335.23679	9.5
343.26309	10.7
353.24710	31.1
360.57190	4.0
371.25800	44.5
389.26865	46.2
445.29507	100.0
463.30283	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
54.76821	0.9
55.05519	2.5
67.05486	2.8
69.07058	1.2
70.06596	1.7
71.57904	1.6
79.05494	8.6
79.91779	0.9
80.05011	2.1
81.05797	6.0
81.07070	5.2
86.09724	1.3
91.05473	4.3
93.07048	3.5
94.06543	1.5
95.04968	2.1
95.08607	1.7
96.08138	22.1
103.05439	1.4
105.07031	2.3
106.06544	2.5
107.04930	1.7
107.08604	2.5
109.65393	0.9
117.05743	2.2
117.07029	1.9
118.06552	3.1
119.07343	1.5
120.08108	12.3
121.10152	1.6
124.07596	100.0
130.06517	5.1
131.05009	1.3
132.04430	1.6
132.08092	2.3
133.05269	1.0
133.10060	1.6
134.06062	1.7
136.07570	2.3
145.05246	4.8
146.06010	14.4
147.06810	1.3
148.07584	5.1
152.07111	1.5
158.05983	1.4
160.07602	2.7
162.05531	8.3
162.09099	1.1
163.06291	13.4
163.07553	1.5
164.07066	22.4
174.05521	4.9
176.06999	1.4
188.07077	6.0
189.07874	1.3
192.06532	6.2
193.07343	2.5
198.11601	1.3
200.07002	2.7
202.05066	2.3
202.08688	2.7
204.06543	3.1
213.10219	1.6
214.08617	1.3
214.12308	2.1
215.05804	1.0
216.06581	8.2
218.08136	1.0
220.06065	7.0
226.10860	1.5
227.11862	1.2
230.08121	1.3
232.05989	2.1
233.06876	1.2
234.07628	2.1
241.09741	2.0
241.13306	3.0
243.14948	1.8
244.06102	1.2
246.07637	1.3
248.05528	3.4
257.12823	1.4
258.07584	2.2
259.10895	2.2
262.07199	1.5
269.12848	10.4
270.13528	1.3
273.09406	1.9
273.12347	32.7
286.04788	5.3
287.13919	11.9
288.14658	7.5
294.09668	1.3
301.07092	8.3
304.08176	4.3
307.10812	1.1
310.09363	1.1
320.07651	23.0
322.09232	36.4
334.74173	1.2
338.08646	8.8
340.10263	9.5
424.91592	1.1
427.14893	2.1
445.16080	47.2
446.15680	1.1
463.17261	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	463.1231
Annotation	6-Methoxykaempferol 3-rhamnoside
Peak:m/z	Relative Intensity
52.40783	0.1
55.05487	0.2
57.03419	0.2
61.02900	0.2
65.03911	0.3
67.05482	0.3
68.99778	0.1
69.03384	0.2
70.06591	1.0
70.91886	0.2
71.01353	0.1
71.04967	0.3
72.08117	0.3
79.05470	0.2
81.03396	0.3
81.07026	0.2
84.04461	0.3
84.08113	0.4
85.02898	0.7
86.09699	0.6
91.03933	0.1
91.05462	0.2
92.02615	1.0
93.03404	1.1
93.07037	0.2
95.04940	0.2
96.42221	0.1
97.02847	0.2
99.04411	0.1
105.07005	0.2
107.04970	0.1
109.02831	0.1
111.00789	0.2
111.04406	0.1
117.06952	0.1
120.01979	0.1
120.08086	0.3
120.58573	0.1
121.02866	1.1
123.04468	0.1
124.05135	0.1
126.03088	0.4
127.03952	0.1
129.10202	0.1
130.06503	0.8
135.11716	0.1
137.02298	0.3
137.05917	0.1
139.03867	0.9
145.06415	0.1
151.03909	0.9
153.01814	8.4
154.02116	0.1
161.06018	0.1
162.05482	0.2
163.03935	0.2
163.11102	0.2
165.00581	0.1
165.01793	0.7
166.02585	0.2
173.05978	0.1
177.05469	0.3
183.02895	0.2
183.04387	0.1
187.03912	0.1
191.10608	0.2
200.04684	0.2
201.05484	0.7
203.03358	0.7
217.04926	0.8
218.05804	0.6
219.02835	0.2
227.12814	0.2
228.04150	1.4
229.04938	4.1
230.05418	0.1
231.02870	0.4
232.03586	0.1
245.04453	1.5
246.05214	1.9
247.02249	0.1
256.03638	0.3
257.04440	2.7
258.05048	0.2
260.03241	0.4
261.07599	0.3
271.05942	0.2
273.03903	1.8
274.04700	4.5
283.15305	0.2
284.03162	0.6
285.03918	4.7
286.04697	0.8
287.01901	0.2
287.05307	0.2
288.06171	0.2
289.06741	0.1
301.03650	0.2
301.07111	0.7
301.16425	0.2
302.04187	14.0
303.04587	0.3
317.06528	100.0
318.06927	2.6
463.12607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.01858	8.0
55.05506	5.6
55.47004	3.9
57.03412	6.2
57.07064	11.2
62.41750	3.7
67.05496	8.8
69.03430	43.1
70.06603	5.8
71.04998	4.6
71.15736	4.1
71.16087	4.7
73.02908	6.0
79.05463	6.2
79.66905	3.7
81.03422	40.3
81.07040	12.1
84.04478	5.5
84.08136	4.6
85.02907	96.4
87.00835	44.3
91.05457	5.5
95.08596	6.1
97.02892	62.8
98.21045	5.8
99.04446	17.0
105.01866	87.7
105.07052	4.4
107.08555	4.5
108.04439	3.9
109.02880	48.4
119.08563	4.7
127.03918	100.0
130.06520	9.0
136.06207	20.8
140.35373	3.6
145.04967	29.7
145.10133	4.5
159.02881	13.5
200.47577	4.1
213.03781	6.7
213.73979	3.3
216.56680	3.7
231.04974	38.4
248.07773	7.8
249.06093	22.2
266.08786	18.8
347.17081	6.5
382.20325	6.0
462.28561	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	462.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42533	1.5
53.03944	4.2
54.26796	1.6
55.01872	2.8
55.05260	2.1
55.05511	29.3
57.03408	2.2
57.07065	3.8
58.99591	8.8
67.05508	18.2
68.88783	1.5
69.03428	13.2
69.07068	16.0
69.61775	1.5
70.06590	5.0
71.04986	5.5
71.31717	3.9
72.08163	1.9
74.00662	5.6
75.02697	8.6
76.02221	12.9
79.05490	14.4
80.58194	1.4
81.03413	4.6
81.07059	44.5
83.04977	31.2
83.06104	1.7
83.08620	7.7
84.04511	6.2
84.08172	3.6
85.02911	5.2
85.06560	4.3
86.09702	4.4
86.99062	3.4
88.02242	2.6
91.05472	15.2
93.07044	41.2
95.04973	9.8
95.08602	34.6
96.08938	2.0
97.06522	14.1
97.10165	3.2
99.04413	2.0
99.08106	2.8
100.11259	7.6
100.46839	1.5
101.04266	2.7
103.02132	2.8
105.00087	5.1
105.01849	2.1
105.07027	25.6
107.08591	33.3
109.02859	3.9
109.06519	5.8
109.10159	24.6
111.02711	2.9
111.08073	15.1
117.06998	2.4
119.08585	21.5
119.27852	1.6
120.01155	2.0
120.08101	2.7
121.10141	24.9
122.02737	34.6
123.08054	7.0
123.11719	12.8
124.03959	3.2
125.04239	1.7
125.09616	10.4
125.10410	1.8
127.03893	2.3
130.05002	4.2
131.05124	1.5
131.08578	4.9
133.10133	18.3
135.11682	19.0
136.06190	4.6
137.05885	1.5
137.09647	5.4
137.10777	1.7
137.13251	5.4
139.11185	6.3
145.10155	8.9
147.11697	17.3
149.09486	1.9
149.13245	13.4
151.11157	3.7
153.12778	3.3
154.28728	1.7
157.10130	6.1
159.11682	7.6
161.13277	6.5
163.11186	2.9
163.14780	1.9
165.12776	3.8
171.11646	4.0
173.13251	5.0
175.14896	4.8
177.16403	3.7
187.14841	3.1
189.16382	5.4
195.17419	3.6
196.17853	2.3
201.16446	3.0
203.17920	4.4
206.01233	5.6
210.14801	1.8
213.16449	5.5
217.48729	1.7
246.59409	1.9
249.18532	3.7
269.22733	3.8
286.04733	6.1
287.23676	8.2
301.07053	11.7
303.23056	2.5
305.24741	100.0
319.20905	2.8
337.21951	11.3
380.26031	5.3
389.91776	1.6
408.25662	3.5
426.21274	3.4
426.26758	49.0
462.21048	2.2
463.17035	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	462.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09268	4.7
54.14896	4.9
56.05034	10.0
56.96559	21.3
58.39701	4.7
59.92531	4.9
60.04503	6.0
61.21708	5.2
70.06581	16.8
70.92904	14.5
72.08142	15.4
74.06057	11.7
81.24796	5.2
84.04488	16.9
84.08132	14.5
86.09718	41.3
89.03898	13.9
97.02876	5.3
98.20843	5.8
98.97627	6.3
103.05432	8.5
104.05344	7.7
110.07169	8.7
117.03385	10.1
120.08113	100.0
128.98596	6.6
129.10220	9.5
130.04974	12.2
135.04387	11.2
136.06200	10.6
145.02852	12.7
146.99657	7.4
147.04413	13.7
147.07646	15.2
163.03912	63.6
166.08652	34.8
179.07082	9.5
187.14384	12.4
239.02260	10.9
248.12308	17.9
254.01479	9.4
364.06299	7.6
462.21347	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48767	1.0
53.03942	4.8
55.01864	1.4
55.05511	20.8
57.03441	5.8
57.07082	1.7
59.04995	4.2
63.18890	1.1
65.03927	2.9
67.05503	100.0
69.07069	10.3
69.33743	9.4
71.04977	4.4
79.05490	48.2
81.07054	44.4
83.08616	11.4
85.06532	3.2
91.05481	31.7
93.07041	46.9
95.04956	7.4
95.08606	21.6
97.06506	2.4
97.10155	3.7
97.10770	1.0
98.20813	3.8
98.21481	2.7
99.08086	2.4
105.07026	22.7
107.08595	14.4
109.10154	61.4
111.08083	4.3
117.07024	9.4
119.06035	1.1
119.08582	27.5
119.14787	1.0
121.06483	1.4
121.10149	30.7
123.08092	1.4
123.11741	1.9
125.09637	3.0
129.06981	5.3
131.08562	16.7
133.10138	14.1
135.11690	8.7
137.09625	3.8
141.07018	1.5
143.08585	5.2
145.10121	15.7
147.11690	10.8
149.09642	1.6
149.13312	2.5
151.11183	1.3
155.08609	2.7
155.10684	3.2
157.10126	6.1
159.11690	10.3
161.13243	3.7
163.11165	1.1
169.10127	4.6
171.11690	8.5
173.11740	20.2
173.13257	7.3
175.14893	2.6
183.11736	4.2
183.55853	1.1
185.13237	4.6
187.14870	3.4
197.13327	2.1
199.14838	3.0
201.16443	1.3
211.14920	2.4
213.16414	3.5
215.17938	5.0
225.16446	1.5
227.18047	2.0
229.14250	6.0
233.19016	2.6
239.17920	2.5
245.18871	1.3
269.18967	1.3
271.20453	3.1
285.22253	1.5
289.21753	2.1
294.93747	1.3
349.23752	1.9
351.26761	9.0
363.25381	3.4
369.27841	13.2
387.28653	4.1
443.31555	10.2
461.32605	93.4
462.33038	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.05512	10.1
57.03437	2.8
57.07081	1.7
67.05505	26.5
69.07059	10.1
69.46805	11.1
72.08155	3.7
79.05055	2.6
79.05492	36.9
81.07058	100.0
83.04980	1.9
83.08612	6.6
85.06538	2.2
91.05485	17.9
93.07040	27.8
95.04964	2.0
95.08611	21.5
97.06517	2.9
97.10165	2.0
98.20950	5.5
99.08089	4.6
105.07030	21.6
107.08601	13.9
109.06522	2.6
109.10161	8.7
111.08100	2.7
117.07037	9.5
118.04457	1.6
119.08595	18.0
121.10150	11.6
123.11746	1.7
127.07540	5.5
129.07005	6.2
131.08563	13.5
133.10132	15.3
135.11691	7.6
141.06956	2.3
143.08569	6.9
145.08635	3.7
145.10133	16.2
147.11691	10.1
149.09613	1.7
149.13261	4.6
150.85789	1.4
155.08577	4.4
157.10146	8.8
159.11685	9.2
161.13219	8.2
163.14810	1.8
169.10150	5.7
171.11720	8.7
173.09630	1.8
173.13269	6.4
175.14882	1.9
183.11705	3.8
184.68674	1.5
185.11812	1.7
185.13307	7.0
187.14861	2.4
197.13271	4.3
199.14847	5.6
201.11198	1.6
201.16364	2.2
211.14734	2.7
213.16377	2.5
225.16393	2.1
227.17995	2.5
243.21130	3.2
257.18942	1.8
261.22202	5.8
261.77759	1.4
271.20477	2.9
313.21216	1.4
317.24783	1.8
351.26727	11.3
353.02618	1.5
359.72568	1.4
363.25339	5.3
369.27884	24.5
377.26721	3.3
387.29175	2.4
406.48276	1.4
443.31470	12.5
461.32617	66.9
462.32758	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01868	1.5
55.05516	15.1
56.09246	1.1
57.03437	5.0
57.07064	2.0
59.04998	3.1
65.03941	3.5
67.05505	100.0
69.03400	0.9
69.07069	11.1
69.26734	6.1
69.27152	3.7
70.94811	0.9
71.04988	3.5
74.38605	1.0
74.70667	0.9
79.05495	44.9
81.07056	35.7
83.00296	1.1
83.04966	2.8
83.08607	9.0
85.06540	2.9
91.05482	32.7
93.07046	40.9
95.04965	5.6
95.08608	20.2
97.06511	2.9
97.10167	3.6
98.21448	2.0
99.08106	2.9
100.63187	1.0
102.33424	0.9
105.07035	21.5
105.07629	0.9
107.08601	13.7
109.06528	1.5
109.10156	59.2
111.08108	2.1
117.07001	8.0
119.08590	24.3
121.10145	28.0
123.08059	2.1
123.11708	3.1
125.09637	2.9
128.06177	1.1
129.06984	5.2
131.08574	13.4
133.10123	14.8
135.08083	1.1
135.11717	9.5
137.09578	3.3
139.11172	1.3
141.06960	1.2
143.08542	5.6
145.10103	14.3
147.11687	9.8
149.09653	1.7
149.13280	1.9
155.08516	1.5
155.10706	2.8
157.10155	5.6
159.11690	8.6
161.13297	3.2
163.11232	1.3
167.38812	1.0
169.10107	2.7
171.10429	1.0
171.11639	5.7
173.11758	15.6
173.13289	6.1
175.11176	1.2
175.14819	1.4
183.11760	4.7
185.13304	4.1
187.14792	3.3
195.11966	1.2
197.13283	3.5
199.14822	2.7
211.14896	1.6
213.16467	2.6
215.17950	4.1
225.16403	1.7
227.18008	1.7
229.14400	4.1
231.17522	1.1
233.19081	3.6
239.18053	1.7
253.19620	1.6
257.18936	2.0
271.20673	2.4
289.21738	1.2
349.23831	3.1
351.26813	6.5
363.25415	3.4
369.27863	15.2
387.29285	2.3
397.13757	1.3
399.38147	1.1
405.29852	1.3
443.31821	9.2
461.32648	79.6
462.32590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1355
Annotation	Apremilast
Peak:m/z	Relative Intensity
56.05042	1.2
60.04524	1.5
69.55653	7.2
70.06291	1.2
70.06600	12.0
72.08163	6.1
73.20316	1.1
74.06080	2.2
77.69124	1.1
84.04496	7.7
84.08149	4.1
86.09206	2.2
86.09709	31.7
87.10046	1.8
102.05537	3.4
107.36357	1.0
110.07142	3.1
113.07110	1.9
120.08064	1.2
126.05512	1.2
126.83110	1.1
147.04425	1.6
173.12907	2.5
201.12401	2.0
215.13785	5.9
219.13405	2.2
226.27490	1.2
243.13333	5.6
257.02551	1.2
261.14386	1.8
359.10077	2.0
443.13287	1.5
443.24451	1.5
461.13568	100.0
461.19495	6.5
462.13599	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.4
53.15285	2.7
55.01870	6.8
55.05517	47.9
57.03429	11.3
57.54908	3.5
65.03947	5.8
67.05167	5.9
67.05508	82.1
69.07063	28.6
69.94241	17.2
71.04974	6.5
79.05495	69.4
81.03391	6.0
81.07061	64.2
83.04975	4.7
83.08622	23.1
85.06512	4.0
90.30941	2.9
91.05487	100.0
93.06467	4.1
93.07046	64.5
93.24341	2.9
95.04976	15.9
95.08616	43.3
97.06520	10.6
97.10161	9.6
98.20788	3.1
103.04034	3.4
103.05489	8.6
105.07033	79.0
107.04960	12.4
107.08615	28.9
107.55280	3.1
109.06523	12.5
109.10171	16.5
111.08074	7.3
115.05447	8.8
116.06270	4.6
117.07034	58.2
119.08586	39.3
121.06491	10.9
121.10143	22.4
123.08042	7.4
125.09643	8.0
128.06244	19.2
129.07011	64.3
131.04927	3.8
131.08577	77.4
133.06499	12.0
133.10144	24.5
135.08031	6.5
135.11702	9.4
137.09566	4.9
141.06999	29.3
142.07797	9.7
143.08578	58.6
144.09381	3.5
145.05518	3.2
145.06448	16.9
145.10121	33.3
147.08051	14.3
147.11661	8.2
149.09610	9.9
153.07101	6.5
154.07747	6.7
155.08578	41.5
156.09363	3.5
157.06482	5.9
157.10152	30.8
159.08055	7.3
159.11662	15.5
161.09654	6.5
161.13281	3.8
163.11195	7.0
165.07016	6.0
167.08611	17.0
169.10141	27.1
171.08000	4.9
171.11693	16.7
173.09639	8.4
173.13255	7.0
177.12761	4.0
179.08624	8.3
181.10127	20.8
183.11691	11.7
185.09618	7.2
185.13306	14.8
187.11179	5.0
187.14815	6.4
193.10147	7.6
195.11691	14.1
197.09718	4.6
197.11714	3.2
197.13216	18.6
199.11258	3.3
199.14885	7.9
201.12724	5.7
203.14258	4.1
205.12283	3.6
207.11650	8.8
209.13272	10.1
211.14899	9.0
213.12814	6.5
215.14302	11.4
217.15773	4.1
221.13293	15.9
223.14799	14.2
225.12640	3.6
225.16389	7.0
227.14438	5.7
231.17316	3.1
235.14883	6.3
239.14323	7.2
243.13829	4.1
253.15877	6.8
257.15503	9.0
265.15994	3.4
271.17035	7.6
275.16428	4.4
287.16309	3.2
305.22943	3.7
315.21353	3.7
322.03671	3.0
323.23709	12.5
333.22055	24.1
341.24814	17.7
351.23245	55.8
369.24231	55.9
387.25375	33.6
425.26831	7.9
443.27957	71.9
461.28992	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01870	0.5
57.03428	0.5
61.02911	0.4
67.01855	2.1
67.05499	0.7
68.99793	0.6
69.03423	1.2
69.07082	0.4
70.06580	0.6
71.13205	0.5
71.13534	0.5
79.05496	0.7
81.03406	0.9
81.07089	0.4
84.08118	0.4
85.02908	2.9
93.06995	0.6
95.04987	0.9
95.08655	0.6
97.02882	1.6
100.62940	0.3
105.06998	0.5
107.04961	0.8
107.08600	0.5
117.05756	0.6
118.06543	1.0
119.08593	0.4
121.02841	0.9
130.06532	9.8
135.04427	2.3
136.06250	0.6
139.03906	4.5
163.03905	29.7
181.04958	100.0
182.05293	1.4
298.10684	2.6
343.10303	0.5
386.24380	0.4
460.16599	0.8
460.27429	0.4
465.64960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85909	0.2
51.86178	0.3
54.59288	0.3
55.01873	0.4
57.03436	0.3
58.71232	0.3
61.02924	1.0
69.03436	1.2
69.07069	0.4
70.06594	0.9
71.30633	0.5
73.02908	0.5
79.05472	0.3
81.03418	0.7
84.04490	0.5
84.08150	0.5
85.02912	5.0
86.09702	1.0
87.04465	0.5
88.50498	0.3
89.03925	4.2
91.03999	0.4
91.05498	0.4
97.02896	2.1
110.07179	0.4
117.03381	13.3
119.93613	0.2
127.03896	0.9
129.10258	0.6
134.03648	0.9
135.04436	1.1
141.67863	0.3
145.02852	36.7
145.04918	1.4
149.06000	4.7
163.03937	0.5
177.05475	100.0
178.05832	1.2
186.05554	0.5
195.06516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01871	10.6
55.05257	3.8
55.05514	55.3
57.03433	4.0
65.03943	4.7
67.05510	52.6
69.03444	5.5
69.07072	15.5
71.57700	3.8
73.46353	2.5
79.05061	3.9
79.05502	56.9
81.03425	4.4
81.07061	43.4
83.04990	7.1
83.08625	27.5
91.05482	43.7
93.07057	25.9
95.04948	7.6
95.08606	13.1
97.06519	3.2
97.10179	50.8
98.21281	3.3
103.05466	22.5
105.03375	5.0
105.07034	34.5
107.04938	7.1
107.08595	26.7
109.06506	3.1
109.10145	12.2
111.08061	3.2
115.05463	11.9
117.07025	62.4
119.08588	22.4
121.06477	4.0
121.10169	4.9
123.08054	4.6
124.18867	2.6
125.09647	42.3
128.06235	6.9
129.07018	30.9
131.04901	4.9
131.08580	39.7
133.06491	11.1
133.10147	6.1
135.08046	11.4
141.07002	15.4
142.07767	3.3
143.08577	18.1
145.06520	14.3
145.10118	19.1
147.08054	6.3
149.09663	7.6
153.09149	4.4
155.08533	16.7
156.09309	3.7
157.06519	7.3
157.10095	9.3
158.95447	3.5
159.08061	7.8
159.11716	8.1
165.06975	3.0
167.08563	7.4
169.10077	14.4
171.08035	6.0
171.11731	7.6
173.13264	4.2
181.10091	3.5
183.07959	3.7
183.11676	5.2
185.09604	5.1
185.13208	6.7
187.14847	22.4
189.11217	32.1
193.10272	3.1
195.11690	5.2
197.13239	17.2
213.12729	6.5
215.14326	100.0
223.11385	2.7
227.12712	38.9
227.14536	3.3
233.15367	5.3
241.12262	7.6
245.13853	6.0
255.14012	3.4
259.13235	3.2
269.15192	2.9
271.16986	5.0
339.23337	7.5
349.21622	13.4
367.22644	42.7
385.23883	22.5
403.24698	13.1
423.25293	4.2
441.26340	61.5
459.27353	89.9
466.75916	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	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
55.05507	7.0
57.03434	2.2
57.07051	1.7
59.04997	2.0
61.02910	1.9
67.05507	16.9
69.03434	9.3
69.07079	11.7
69.94402	7.0
71.04996	1.9
73.02913	2.6
79.05503	4.0
81.03407	3.1
81.07056	18.9
83.04980	12.1
83.08605	6.1
85.02911	9.8
85.06520	2.1
87.00858	3.4
91.05472	3.8
93.07043	9.7
93.69167	1.6
95.04981	2.6
95.08604	32.2
96.90465	1.6
97.02910	2.4
97.10167	2.6
98.20937	3.1
99.08117	2.2
105.01886	2.7
105.06985	8.0
107.08603	23.5
109.02904	2.7
109.06499	11.4
109.10159	100.0
110.10477	1.8
111.08060	2.4
113.09681	2.0
116.03435	1.8
119.08587	32.5
121.10175	14.6
123.08074	10.8
123.11735	8.4
127.03912	3.7
130.06561	2.2
131.08554	1.6
133.10129	23.3
134.50388	1.7
135.11702	89.8
137.09639	15.8
139.11134	3.0
141.07063	1.5
145.10123	3.6
149.13248	5.0
151.11189	8.6
151.14790	10.6
153.12724	2.2
163.11194	5.0
175.14825	42.1
178.24739	1.5
191.10699	3.3
193.15877	49.0
206.76489	1.7
211.16943	98.5
212.17358	2.2
325.10657	1.8
381.04428	1.8
459.17783	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	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	6.4
55.01862	9.7
55.05264	5.2
55.05511	66.6
57.03429	7.0
57.07089	3.8
59.04990	3.3
65.03928	3.9
67.05502	55.5
69.03439	17.4
69.07071	21.4
69.90990	18.1
71.04992	5.6
75.91941	3.4
79.05488	54.5
81.03417	9.4
81.07055	50.7
83.04990	23.6
83.08615	33.9
84.04478	4.5
85.02899	13.1
85.06525	5.5
87.00824	3.5
91.05487	47.5
93.07043	26.7
95.04978	7.5
95.08606	24.5
97.02874	5.4
97.06529	4.6
97.10181	51.2
98.20862	5.5
98.21394	6.1
98.97500	4.2
103.05474	22.5
105.07027	42.9
107.08603	30.2
109.02847	8.9
109.06500	8.5
109.10170	25.2
111.08106	6.5
115.05453	9.8
117.07014	64.0
119.08569	21.8
121.06506	6.5
121.10133	11.1
123.08098	5.6
123.11677	4.0
125.09636	51.4
127.03896	7.8
128.06206	6.2
129.07001	32.0
131.04930	8.2
131.08569	46.1
133.06471	7.1
133.10103	10.6
135.08025	14.2
141.06982	14.7
143.08615	21.9
145.04912	3.9
145.06471	14.8
145.10139	17.8
145.23177	3.7
147.08051	4.5
149.09627	7.3
154.07706	4.2
155.08563	17.4
157.06516	7.7
157.10109	9.7
159.08069	10.5
159.11696	4.9
163.02771	6.4
165.09088	4.4
167.08580	8.9
169.10110	14.5
171.08017	6.1
171.10178	4.0
171.11647	7.5
173.13264	8.4
179.08594	3.5
186.09180	4.0
187.11172	5.1
187.14836	19.8
189.11250	29.0
193.15880	12.5
195.11586	6.2
197.09636	4.3
197.13258	21.1
211.14958	4.4
211.16925	8.7
213.12732	6.2
215.14330	100.0
227.12747	35.6
233.15294	4.1
241.12094	5.5
271.16974	9.5
305.17560	3.6
331.20401	3.6
349.21661	17.8
367.22693	42.6
385.23776	24.6
403.24838	8.0
441.20779	6.2
441.26364	61.4
459.27484	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86126	3.5
55.01869	3.8
55.05498	12.5
57.03423	5.5
57.07073	4.5
67.05505	20.9
69.03432	24.5
69.07046	15.4
70.06588	8.1
70.10413	3.7
70.10738	15.9
71.04967	10.7
73.02906	5.0
79.05469	13.4
81.03436	18.5
81.07046	24.0
83.04978	10.8
83.08633	9.0
84.04498	5.5
84.08126	7.8
85.02907	32.3
85.06537	6.7
86.09701	6.9
87.00829	9.9
91.05490	11.3
93.07038	30.9
95.04945	10.0
95.08601	38.1
97.02882	13.0
97.06493	4.8
97.10197	4.9
99.04451	11.4
99.07481	4.8
99.08099	69.3
105.01859	6.4
105.07017	18.4
107.08603	39.0
109.02862	15.4
109.06528	10.6
109.10156	91.9
111.08025	6.5
113.79757	3.8
119.08604	35.0
120.08073	4.0
121.10156	23.2
123.08045	8.3
123.11692	10.6
125.09607	9.7
127.03934	24.1
127.11228	3.8
130.05040	4.2
130.06544	4.4
133.10156	25.1
134.09550	4.1
135.11700	96.0
136.06059	5.7
136.07562	4.1
137.09634	21.7
138.03728	14.1
145.04918	9.1
145.10150	3.9
149.09637	5.0
149.13269	4.9
151.11208	4.5
151.14833	7.8
155.10680	17.5
159.02888	7.4
163.11183	8.7
165.16371	3.7
170.50778	3.8
173.09691	4.0
175.07433	3.9
175.14841	38.8
177.03238	4.7
184.04262	36.3
191.10695	8.8
193.15866	73.1
211.16940	100.0
243.62244	3.6
316.13531	8.6
330.11371	5.2
336.77240	3.3
410.98795	3.7
459.17227	5.2
481.09891	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	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.8
57.98808	0.5
58.01548	0.4
60.04525	0.6
70.06597	11.9
70.26563	0.7
70.26939	0.8
71.06932	0.5
72.08150	1.5
83.06096	0.5
84.04499	2.3
84.08133	1.7
85.02943	0.4
85.04019	1.3
86.06014	0.4
86.09699	4.6
87.02705	0.6
87.05576	0.9
88.03973	0.8
89.47358	0.5
91.05481	8.4
98.02417	0.5
98.06042	0.5
98.20711	0.5
102.05530	0.9
107.04958	3.2
109.04011	0.4
110.07173	1.7
115.08679	1.0
116.07088	1.2
117.03699	0.4
118.06561	0.7
119.04934	11.5
120.06544	0.6
120.08145	0.5
121.06523	0.7
123.04419	3.9
125.03493	3.0
126.05464	0.4
129.10280	1.1
130.05031	0.9
130.06500	0.5
136.07581	100.0
137.03459	0.4
137.07883	0.8
138.03732	4.5
138.17616	0.4
145.02855	0.6
146.05978	1.4
147.04407	7.0
148.07562	1.3
151.06250	0.8
156.04778	0.6
160.07555	0.4
165.05495	8.4
165.06868	0.6
167.88593	0.5
177.03308	0.6
177.05502	1.1
182.06584	0.9
182.08127	13.2
184.04274	10.6
191.49779	0.4
192.99614	0.6
193.09734	42.0
194.10066	0.8
200.14128	0.5
213.12358	0.8
215.13937	0.6
217.08191	0.7
217.11917	1.4
220.00604	0.7
221.00923	0.7
221.09218	12.2
227.08536	0.5
229.15439	0.7
231.04381	0.5
233.09142	0.9
233.15025	0.5
238.05418	0.8
239.10268	21.4
250.11935	2.2
257.12555	0.5
278.11371	4.9
306.10663	0.6
325.00262	1.1
330.11234	0.7
336.67584	0.7
345.14868	0.5
402.16611	0.7
412.15036	0.7
441.17719	6.8
459.18301	2.1
459.25140	1.4
481.86676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01876	6.2
55.05512	4.0
57.03442	13.4
61.02922	2.3
65.03919	1.4
65.70148	0.9
67.05499	6.8
68.42349	1.1
69.03441	8.5
69.07060	2.8
69.74431	1.2
70.06585	2.9
71.01358	19.3
71.04990	4.5
71.57480	1.2
73.02551	1.7
73.02921	25.2
73.41189	1.0
75.04480	2.2
79.05498	26.4
81.03413	3.3
81.07053	10.0
83.01350	2.0
83.04986	2.7
84.08162	1.6
85.02907	45.5
86.09695	2.2
87.00813	1.2
87.04449	1.1
87.98377	1.0
91.05481	12.6
93.07048	46.4
95.01349	5.2
95.04968	5.6
95.08585	3.1
97.02901	10.3
97.06525	2.7
99.00832	4.6
99.04456	4.9
99.08096	1.4
101.02390	7.0
103.03922	5.3
105.07036	41.9
107.04934	3.3
107.08600	100.0
108.08885	1.9
109.06512	3.8
109.10149	2.8
111.08096	3.3
113.02378	18.4
113.06021	1.8
116.01676	1.3
116.28954	1.1
117.05460	1.2
117.07033	3.5
118.04426	1.0
119.08582	11.6
121.06493	17.2
121.10142	20.0
129.05516	5.8
130.06512	3.4
130.07773	3.3
131.03398	9.3
131.08597	2.9
133.10103	2.8
135.08044	11.9
135.11700	24.3
137.05962	1.3
139.07527	1.5
141.01817	9.5
141.05469	1.8
145.10126	36.8
145.11284	1.9
147.11717	5.0
149.05954	1.2
149.09625	14.4
159.02904	4.4
161.09624	1.0
163.11188	77.6
167.10670	1.1
169.04968	3.8
171.06525	2.2
173.09644	6.3
181.12270	8.4
187.06013	2.2
191.10678	58.8
197.04514	2.3
209.11739	9.3
215.05499	6.1
227.12762	7.0
233.06555	2.2
265.14352	5.8
283.15405	24.5
305.08505	1.2
307.15533	1.7
377.16058	1.4
423.16275	2.2
441.17212	1.3
459.18692	22.6
460.18750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20057	0.5
55.01871	0.6
55.39772	0.5
55.97809	0.5
56.05022	0.9
69.51006	1.3
69.51408	3.5
70.06592	5.7
70.99580	1.2
72.08136	1.8
73.66017	0.6
79.05502	0.8
83.06089	0.9
84.04499	7.9
84.08126	1.5
85.04013	1.5
85.73256	0.5
86.09703	2.0
94.06565	2.4
98.21218	2.2
99.05569	0.6
104.05008	1.4
105.05735	1.7
106.06558	4.3
108.08136	0.6
108.31625	0.5
110.07127	1.1
111.02651	2.1
112.03938	0.6
116.07085	1.8
123.04522	0.7
124.07594	0.7
125.02938	2.2
126.03773	0.7
129.06589	0.8
129.10246	1.0
130.05000	4.7
131.04536	1.7
133.02876	1.4
135.02643	1.0
136.02116	0.9
136.07571	1.4
138.03726	39.0
139.03999	0.6
147.04398	0.6
151.06299	6.8
152.07072	5.9
154.08589	0.8
155.11729	0.6
156.04785	5.2
163.03908	0.9
164.05276	2.7
166.03276	2.3
175.03796	0.7
177.03282	6.0
181.06216	0.7
184.04279	100.0
185.03857	1.2
192.04817	1.5
199.07463	1.0
210.05843	7.4
221.06010	0.7
227.08504	4.9
229.15453	1.1
231.04262	3.8
237.07025	1.3
238.05342	9.0
251.06958	1.0
255.03639	0.6
255.08076	5.4
269.07834	0.6
279.06375	1.5
283.05954	0.6
288.06427	0.8
293.09546	2.3
295.06079	1.1
297.07056	1.5
323.05630	0.8
324.05679	0.6
325.06772	1.5
330.11182	7.9
343.07465	0.7
384.12170	2.5
459.18100	2.6
459.24844	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09084	1.8
55.01874	5.2
55.05508	2.7
55.59443	1.8
59.68714	1.8
62.10704	2.5
65.03951	2.1
67.05492	3.7
69.03416	6.9
69.43736	6.5
69.44159	9.0
70.06596	4.4
71.04990	4.7
72.08150	2.3
73.02917	2.9
79.05487	6.0
81.03419	3.9
81.07063	5.4
83.05001	2.6
83.08598	3.6
84.04514	3.3
84.08159	3.1
85.02901	7.8
86.09692	2.9
89.72200	2.0
91.05469	11.2
93.07048	7.3
95.04986	3.1
95.08610	6.9
97.02897	2.6
97.06522	2.2
98.20786	4.4
98.21436	4.7
103.05434	2.5
105.07020	8.5
107.08582	15.1
109.06577	2.2
109.10155	7.0
115.05470	3.5
119.04950	3.8
119.08588	5.8
121.06515	2.8
121.10153	13.4
122.10468	2.8
123.08125	3.1
123.11638	2.4
125.09617	3.3
126.09918	2.1
127.03888	2.0
130.04987	2.0
130.06532	3.1
133.10130	5.0
135.04425	1.9
135.08040	4.2
135.11708	8.3
136.06218	4.5
136.07536	2.8
137.05962	13.0
137.09613	3.7
143.04916	2.6
145.06522	4.7
145.10130	3.9
147.04387	3.7
149.05943	4.9
149.09627	3.6
149.13206	2.8
150.06760	2.9
151.11176	16.4
152.11530	7.4
153.11804	4.9
158.03658	5.1
162.09100	2.6
163.11211	5.9
163.14842	2.5
165.12837	2.3
173.06003	5.5
173.13351	4.0
175.03894	4.4
176.06171	3.7
177.06982	6.9
184.04289	6.3
186.03110	12.7
189.07092	2.1
191.10680	4.5
191.14288	11.4
192.14645	6.3
193.06500	2.1
193.14738	2.7
193.16125	2.6
194.07356	10.3
201.05476	27.1
203.06978	2.5
204.05730	3.5
205.06491	32.1
206.07173	3.0
209.15388	11.9
210.15659	8.2
211.07474	2.7
211.16043	2.2
219.08072	4.7
221.06070	11.7
222.06757	19.5
223.07539	4.2
224.04591	2.1
227.07127	4.3
233.06023	29.4
234.06783	7.3
236.08284	2.2
237.09163	16.5
239.06889	4.9
247.07582	6.4
249.05487	12.5
250.06270	25.2
251.06993	5.5
261.05453	6.2
264.07907	12.3
265.08597	41.6
266.09412	5.9
267.06653	5.9
272.85797	2.2
277.04971	5.0
278.05731	13.4
279.10150	5.9
282.08853	3.5
292.07336	29.9
293.08066	52.5
294.08386	2.2
295.06149	2.5
297.11221	9.0
307.09634	75.1
310.08395	5.4
315.13184	2.8
316.13846	2.3
325.10724	100.0
459.17731	5.7
480.83871	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99220	2.7
55.01859	3.7
55.05510	8.4
57.07071	6.0
57.47489	2.4
60.39869	2.3
67.05508	15.7
69.07067	16.4
69.84029	12.4
71.08626	15.2
79.05491	11.2
81.07058	20.6
83.08637	4.6
84.04512	6.3
90.13464	2.4
91.05476	7.0
93.07038	14.2
95.04989	6.0
95.08607	11.6
97.06528	6.1
98.20992	8.0
99.08090	8.6
105.07028	12.4
107.08591	11.9
107.38808	2.4
109.06508	17.8
109.10157	8.5
119.08592	10.7
121.06519	8.6
121.10134	8.9
123.11837	2.6
130.05025	4.8
131.08583	5.2
133.10146	7.7
135.08093	7.3
145.10132	7.8
147.11668	5.7
149.02374	3.5
149.09587	2.9
149.13303	3.0
161.09648	2.7
161.13231	2.7
163.11223	6.2
165.12759	44.2
175.14830	3.2
177.12762	6.7
184.54532	3.3
191.14313	2.9
193.04935	3.2
206.05843	3.4
209.19048	9.4
219.60461	2.9
237.18428	3.2
289.25198	18.0
299.23749	3.2
307.26358	2.8
317.24789	66.8
335.25818	23.7
391.28461	26.9
409.29526	100.0
457.81216	8.8
458.31360	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	458.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	16.3
54.19854	3.0
55.01865	9.2
55.05513	29.1
57.03424	9.8
57.07068	5.8
61.02927	4.0
65.03922	5.3
66.91370	4.2
67.05509	100.0
69.03082	3.8
69.03436	59.3
69.06773	2.8
69.07076	27.4
70.06605	3.7
71.04985	8.2
71.57381	3.1
71.57732	3.7
79.05497	82.6
81.03423	96.3
81.07061	92.9
83.04966	11.1
83.08634	20.1
85.02912	38.0
85.06532	5.3
88.44663	3.0
91.05483	66.3
93.06464	5.7
93.07047	90.6
94.64630	3.3
95.04970	20.0
95.08608	77.9
97.02890	46.7
97.06525	10.1
97.10154	5.7
98.37079	3.1
99.04427	9.9
101.54176	2.9
103.03920	3.6
105.06368	6.0
105.07031	59.5
107.04960	5.0
107.08594	46.0
108.04458	11.3
109.02866	19.5
109.06511	11.0
109.09584	2.6
109.10172	29.0
111.04439	10.3
111.08102	5.8
115.03924	3.9
115.05422	3.6
117.07008	26.7
118.12968	2.8
119.08578	41.9
121.06480	5.7
121.10157	39.0
121.94675	3.6
123.08097	5.0
123.11713	15.6
124.91229	2.6
125.09662	4.2
127.03898	25.5
127.26832	2.7
128.06197	5.0
129.05507	3.8
129.06979	12.5
131.04910	4.5
131.08572	38.2
133.06499	5.7
133.10129	32.9
135.08076	6.7
135.11717	21.7
137.13223	4.7
141.07027	6.0
143.08554	11.2
145.04974	6.8
145.10132	31.7
147.08031	7.9
147.11673	23.2
149.09639	5.5
149.13232	16.7
151.07460	3.2
153.09056	3.4
155.08582	9.8
157.06454	3.2
157.10152	14.7
159.08072	5.9
159.11697	23.6
161.13266	15.7
163.11081	4.9
163.14818	6.2
169.10121	5.0
171.08131	3.2
171.11731	15.7
173.09657	5.2
173.13266	18.3
175.11176	5.1
175.14766	6.0
181.10190	6.7
183.11679	3.9
185.13228	8.6
187.11182	4.1
187.14803	9.3
189.12692	4.7
195.11690	3.3
199.11189	5.7
199.14822	10.5
201.16537	4.4
209.13248	4.0
213.12708	5.2
213.16347	3.2
221.15366	3.6
235.13271	5.1
241.19504	4.1
243.21109	7.3
259.20682	4.1
261.22165	27.4
273.22086	5.0
277.14276	4.7
277.21664	8.8
279.23154	3.9
285.22040	4.3
289.21591	4.4
291.23251	4.6
295.15564	4.2
301.21780	4.2
303.23285	14.0
315.23163	4.0
319.22733	3.6
321.47705	3.5
327.23141	9.5
341.24622	5.7
351.23157	6.3
369.24197	26.1
387.25211	19.4
405.26279	26.6
423.27066	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	458.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.7
55.01861	9.9
55.05516	8.1
55.74352	3.3
57.03436	4.0
57.07059	4.2
67.05509	36.1
69.03436	32.6
69.07079	8.1
69.93906	15.7
71.04985	12.3
73.02908	9.9
74.52525	3.2
76.94202	3.0
79.05489	25.6
81.03434	30.1
81.07064	34.7
83.04953	4.4
83.08604	4.4
85.02885	9.0
91.05472	16.0
93.07040	28.6
95.08603	34.6
97.02903	30.0
98.21256	8.1
99.04457	62.3
101.02380	4.7
105.07019	12.6
107.08575	11.0
109.02892	28.6
109.10173	19.1
111.04410	8.5
117.06983	5.2
119.08609	8.3
121.10147	15.9
123.11695	12.2
127.03926	100.0
131.08562	7.7
133.10092	8.9
135.11688	9.6
145.04976	20.4
145.10194	4.0
147.11673	8.5
149.13286	6.2
161.13242	6.6
173.13292	7.2
207.13840	3.6
243.21072	6.9
261.22122	20.2
279.23303	3.9
336.40881	3.4
384.81168	3.3
405.26389	4.9
408.39285	4.0
423.27371	15.4
458.25568	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	458.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78807	3.5
53.03931	4.4
55.05510	10.4
57.03434	4.3
57.07071	9.0
67.05502	12.5
69.03420	6.6
69.07071	6.8
70.06573	4.5
71.57824	5.2
71.58260	6.0
71.79478	3.8
79.05475	28.4
81.03408	4.1
81.07055	27.0
83.08655	5.1
83.15427	3.7
84.04507	8.5
85.02903	5.4
85.06529	4.8
86.09739	5.4
91.05482	35.1
93.07040	32.8
94.02910	6.9
94.06564	8.1
95.04978	9.6
95.08614	13.7
96.04498	9.2
97.02879	7.3
98.21186	5.9
105.07035	49.9
106.06522	9.8
107.07341	4.3
107.08593	27.9
108.08126	5.4
109.10160	15.3
110.02380	6.9
110.06033	15.0
110.41677	3.6
112.03959	5.4
114.01930	6.2
114.05610	4.3
115.05417	4.6
117.07031	20.5
118.06546	4.9
119.08584	60.0
120.08109	6.6
121.06519	3.5
121.10156	16.7
122.06044	5.8
123.11696	4.1
128.03442	15.7
128.06203	9.1
129.06998	13.0
130.06538	7.9
131.07503	5.4
131.08566	61.7
132.08107	5.0
133.10120	33.1
134.06047	11.3
135.08054	18.8
135.11659	6.8
136.07568	8.1
137.09618	5.6
138.01907	8.4
140.03465	19.7
142.07819	9.3
143.08557	30.4
144.08131	4.8
144.09346	4.4
145.09091	5.7
145.10083	30.0
146.09717	8.9
147.11720	8.8
148.07622	8.6
150.41660	3.9
152.03433	7.6
154.04976	15.9
155.08514	4.9
156.09290	7.4
157.10115	23.0
158.04504	26.5
158.09627	7.3
158.10898	10.7
159.07948	4.0
159.11714	20.8
162.05507	8.9
162.09171	6.4
167.08611	8.4
168.09329	5.5
169.10133	12.8
170.10959	6.9
171.11711	18.6
173.13254	66.6
175.15007	5.5
176.05528	6.2
178.05006	31.4
179.08617	6.8
180.06595	8.4
181.10150	10.8
183.11688	19.3
185.13246	18.9
187.14919	6.2
188.03773	3.6
188.05466	9.0
192.06464	8.2
193.10124	4.5
194.10881	6.5
195.11719	11.4
197.13278	9.0
199.14867	12.1
208.12422	5.2
209.13275	37.6
223.14883	14.3
225.16359	9.2
227.14354	8.1
228.08574	5.7
239.17891	7.6
252.08620	29.1
254.10196	5.9
265.19501	45.4
266.10239	15.6
271.20605	4.3
283.20566	15.9
290.08063	6.1
292.11804	7.6
293.16370	4.2
307.11703	5.2
318.13284	7.0
348.18097	13.0
366.19101	100.0
378.17767	3.7
440.24283	15.4
458.25180	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12564	1.0
53.03959	1.2
55.01863	3.6
55.05485	1.2
56.39502	1.0
60.50353	1.0
67.05493	2.9
68.30071	1.0
69.03419	3.7
69.06775	1.2
69.07070	13.5
69.96513	4.2
70.06588	1.3
71.04977	1.2
79.05489	2.7
81.03415	3.2
81.07038	3.0
83.04942	1.7
85.02894	4.3
86.09705	1.9
87.00819	2.4
91.05471	5.8
93.07042	14.0
93.51963	1.1
95.04976	1.8
95.08589	3.6
97.02911	1.5
97.06507	1.7
98.20765	1.5
99.04443	1.1
105.07014	2.9
107.08598	12.8
109.02854	2.7
109.10131	3.0
119.08581	3.5
120.16049	1.0
121.06502	14.4
121.10134	11.2
123.08086	2.5
127.03887	2.0
131.08548	4.3
133.10126	6.7
135.08051	8.2
135.11694	2.2
137.09549	2.2
143.08549	1.6
145.10089	2.2
145.44189	1.0
147.11685	32.7
149.09615	3.8
149.13261	7.7
151.11183	8.1
158.10873	1.6
161.09612	3.7
163.14798	1.7
172.30127	1.1
173.13298	8.1
191.14302	100.0
192.14615	1.9
209.15343	8.7
279.15710	1.1
403.73950	1.2
425.76968	1.0
452.85651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78808	3.5
55.05498	5.2
61.73316	3.7
67.05523	4.4
69.03416	13.2
69.07066	9.1
69.39867	3.4
70.76331	8.8
71.04971	6.7
78.16998	3.0
79.05492	6.8
81.03452	5.1
81.07056	9.0
83.04974	12.8
85.02915	8.2
85.38362	3.2
87.00854	6.2
93.07036	7.6
95.08608	25.9
97.02853	4.2
97.06514	4.5
99.08093	5.8
105.07012	11.8
107.05031	3.6
107.08581	34.8
109.06477	8.0
109.10165	19.6
119.08540	4.9
121.10137	41.9
123.08032	5.7
125.09668	20.4
127.03952	5.0
131.08583	7.0
133.10187	19.5
135.08055	16.4
135.11703	6.9
137.09575	7.2
139.11171	8.5
145.10101	4.5
147.11678	13.6
149.09622	12.2
149.13280	23.6
151.11177	96.0
153.08969	4.7
157.68437	3.4
160.67787	3.6
163.14781	14.7
165.12794	9.3
172.21562	3.6
173.13272	16.0
191.14316	100.0
195.58554	3.6
201.13127	3.7
209.15372	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39654	1.8
53.03933	3.2
55.01858	2.9
55.05520	3.5
57.03428	2.7
61.02897	2.7
67.05511	2.3
69.03443	13.7
69.07057	2.6
70.30832	6.1
73.02912	2.2
74.88875	1.8
79.05486	5.6
81.03423	13.2
81.07047	6.6
83.04990	3.9
85.02902	16.0
87.00860	3.6
91.05443	4.8
93.07021	4.1
95.04964	4.2
95.08595	4.8
97.02893	5.2
105.01863	4.7
105.07027	6.9
107.08616	15.2
109.02871	6.5
109.06548	5.1
109.10153	5.6
119.08564	3.7
121.10136	12.2
122.07272	2.5
123.08080	5.6
123.11685	3.3
127.03925	9.3
131.08577	2.2
131.23105	1.9
133.10136	54.8
135.08066	6.5
137.09622	32.6
145.04959	2.4
147.11694	2.2
149.09637	7.0
149.13264	8.8
151.11205	40.4
159.02873	3.8
165.12758	33.6
173.13217	3.9
186.82848	2.1
191.14310	24.5
193.15855	5.2
209.15370	100.0
210.15724	2.8
218.75450	1.8
223.03627	2.5
315.77731	1.9
457.24469	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	457.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51099	0.9
53.03939	1.4
55.01878	2.2
55.05508	1.8
57.03434	6.9
65.53924	0.9
67.05495	3.2
69.03445	4.8
69.07057	1.1
70.06596	6.2
71.01358	2.2
71.04997	8.3
71.37742	1.0
71.38104	1.6
71.64128	1.0
72.08150	1.9
73.02923	1.7
75.98987	0.8
79.05498	5.5
81.03423	3.2
81.07053	4.6
83.06108	0.9
83.55048	0.9
84.04493	3.0
84.08149	7.3
85.02907	7.2
86.09713	5.7
86.14600	1.0
91.05477	13.7
93.07040	9.1
95.01317	2.7
95.04974	4.3
95.08612	3.3
95.29955	0.9
97.02884	3.2
97.06506	1.1
99.04465	14.9
103.05444	2.2
105.07034	100.0
106.07375	0.9
107.08588	5.4
109.02872	2.8
109.06527	2.2
117.07043	2.2
119.04964	2.5
119.08589	9.6
120.08098	1.8
121.06498	3.7
121.10155	3.4
123.08112	1.9
123.11755	1.1
127.03929	1.8
128.06250	2.5
129.06996	2.0
129.10228	1.2
130.04973	1.9
130.06558	1.2
131.05005	1.2
131.08543	5.7
133.06508	8.8
133.10133	65.3
134.10454	2.0
135.08012	1.0
135.11702	1.2
136.06230	1.4
136.07596	1.3
137.05971	2.3
141.01869	5.0
143.07047	5.0
143.08595	6.2
145.10124	5.1
146.07243	3.5
147.04533	0.9
147.08026	3.2
149.09669	1.4
151.07568	6.8
151.11205	1.3
155.08566	1.3
155.21046	1.0
157.10170	1.1
159.08084	1.9
161.09625	79.5
162.10013	1.2
163.03848	1.0
163.11205	8.7
164.10860	1.0
171.08067	3.9
173.08096	7.7
173.09526	1.9
173.13049	1.3
175.07539	1.1
175.11217	1.1
179.10683	9.0
185.09555	1.5
187.11082	1.0
189.09106	25.1
190.09454	1.0
191.14330	2.2
199.07500	1.2
201.09120	0.9
207.10165	8.0
225.11235	1.0
235.13342	3.0
239.10655	1.7
244.10909	1.2
253.14394	14.7
255.10289	1.6
263.12766	12.5
265.11948	0.9
273.11197	2.2
281.13834	15.1
283.09589	1.3
301.10684	1.4
309.09863	1.4
309.13165	1.1
313.11771	1.0
315.13074	2.0
316.13712	1.4
319.11661	2.4
324.48529	1.0
337.12613	4.6
365.12244	6.0
439.20691	1.2
457.16251	2.3
457.21313	2.2
457.30630	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
54.21955	0.7
55.01858	1.6
55.05505	2.3
57.03430	3.2
61.02935	0.9
65.03926	1.1
67.05483	2.2
68.99797	1.0
69.03426	5.9
69.07054	1.1
70.06590	3.8
71.01348	1.9
71.04987	6.1
71.38020	1.5
71.48315	0.8
72.08155	1.8
73.02898	1.9
75.04490	0.9
79.05493	5.8
81.03419	3.0
81.07048	1.9
83.04992	1.1
84.04481	1.6
84.08134	6.9
85.02908	6.4
86.09697	3.0
91.05480	15.0
93.07038	7.5
95.01328	3.6
95.04960	2.2
95.08609	2.7
97.02885	2.3
97.06540	1.2
99.04443	13.3
100.04588	0.7
103.05478	2.1
105.07029	100.0
106.07365	1.5
107.04983	0.8
107.08592	5.0
109.02840	0.9
109.06535	1.7
109.10158	1.1
112.11184	0.7
113.02334	0.9
115.05453	1.2
117.07017	3.0
117.30213	0.8
118.07785	0.9
119.04927	2.5
119.08579	8.9
120.08142	1.0
121.06503	4.6
121.10130	2.2
123.08042	2.6
127.03917	1.4
128.06238	2.9
129.06999	2.0
130.06561	0.8
131.07033	0.9
131.08563	3.7
133.06511	8.4
133.10127	68.8
135.08052	1.1
135.11668	1.6
136.06190	2.7
136.07567	0.9
137.05977	1.3
137.09612	1.1
140.07028	0.8
141.01828	6.1
141.06978	1.0
143.07021	4.8
143.08562	6.2
145.06462	1.2
145.10133	6.0
146.07245	3.8
147.08049	3.0
149.09633	1.1
151.07570	5.5
153.07129	0.8
157.10179	1.6
159.02892	0.9
159.08070	2.1
161.09621	72.3
162.10138	0.9
163.11183	8.6
164.12857	0.8
167.08542	1.1
171.08057	4.3
173.08133	7.4
173.09540	1.6
173.13242	0.9
174.06746	1.0
177.09149	0.7
179.10660	7.5
183.11794	1.1
185.09543	1.0
189.09108	24.8
190.09557	0.8
191.14328	1.4
191.51575	0.8
192.28185	0.9
199.11107	0.9
207.10155	8.6
208.01662	0.8
209.09564	0.9
211.11163	1.0
217.08528	1.1
225.11240	1.3
227.10750	1.2
235.07680	0.8
235.13272	3.7
239.10493	1.1
245.11771	1.1
252.50874	0.9
253.14359	17.4
255.10246	1.6
263.12802	12.1
265.11649	1.0
266.12244	1.0
273.11249	1.8
281.13818	16.2
283.09729	1.6
301.10703	2.5
309.09656	2.0
315.13336	1.2
316.13828	1.0
319.11746	2.5
337.12857	5.7
347.11108	1.6
365.12167	5.5
439.15857	1.0
439.31839	1.5
457.16180	2.4
457.21857	3.8
457.31036	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
56.02777	3.0
67.04117	3.0
67.05499	6.4
69.03436	4.5
70.06581	9.1
71.58373	3.1
71.58748	5.0
79.05491	9.8
81.03398	4.6
81.07052	4.1
91.05477	5.6
94.11962	3.2
95.08618	3.8
97.02897	3.7
103.05423	4.3
105.07024	33.0
115.05441	5.0
118.06559	8.1
119.08600	3.4
121.10091	4.0
130.06541	16.2
131.08577	3.8
133.06505	27.8
133.10164	5.5
135.11664	4.8
143.04953	4.9
145.04950	3.8
145.10117	5.0
161.05986	21.6
189.05481	16.0
191.14337	3.3
207.06531	81.0
230.21577	3.5
232.84106	3.1
306.11243	100.0
306.14767	4.8
307.11316	3.6
323.07681	5.7
346.72461	4.0
357.45547	4.0
402.95364	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	457.1679
Annotation	Asp Ala His Asp
Peak:m/z	Relative Intensity
69.03429	0.9
69.07059	0.9
70.06596	6.4
70.60831	0.5
71.58206	0.7
72.08154	1.7
79.05489	0.9
81.03434	0.8
84.04530	0.6
84.08148	1.3
85.02933	0.8
86.09703	4.5
109.02876	1.0
109.06496	0.9
110.07126	0.8
112.07639	0.7
116.07084	0.8
117.23061	0.6
120.08078	0.9
127.03871	0.7
129.10237	0.8
133.10114	0.7
150.05493	0.7
153.20612	0.6
183.14989	0.8
186.20491	0.6
191.14258	1.8
203.05315	0.9
211.14384	1.0
221.07950	1.2
259.07721	1.3
262.68796	0.7
295.11588	6.4
457.16779	100.0
458.17203	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.112
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.03939	3.2
55.01862	1.7
55.05508	1.2
57.03442	7.3
59.05003	3.0
65.03929	1.0
69.03074	1.2
69.03434	13.8
69.55681	4.3
69.56107	3.1
70.06589	14.4
71.04993	6.2
72.08150	3.0
73.02924	3.2
75.05634	1.0
81.03426	21.2
84.04478	1.9
84.08118	4.5
85.02888	1.5
86.03085	1.1
86.09698	6.0
98.98473	14.0
99.04463	9.7
110.07159	2.7
112.11325	1.1
117.05476	8.8
120.08096	1.4
122.07146	2.6
123.04408	2.7
126.05494	1.5
129.10217	3.2
130.06508	1.1
133.02888	1.9
135.04344	1.7
137.02301	4.5
145.07611	3.8
147.04413	3.1
147.09160	2.1
157.07498	1.6
159.09171	4.1
162.03033	1.2
163.03902	9.6
163.11160	1.3
165.06966	3.4
169.13330	1.6
170.07167	1.5
171.09192	1.3
172.08699	25.3
173.02364	4.0
173.07109	3.6
175.08681	3.5
183.14949	1.3
184.08691	2.2
186.10350	1.2
187.03838	1.2
190.09753	2.1
191.08141	1.5
193.06508	2.7
195.01041	1.2
197.10895	1.4
198.06697	6.4
198.10234	1.7
200.08147	3.5
205.06636	1.3
209.10826	1.4
210.10149	1.1
211.14351	1.5
214.09731	3.8
216.07689	17.3
218.09198	3.2
219.07646	3.7
221.05981	13.4
224.11710	3.1
225.05441	1.9
229.08325	1.8
231.02769	2.0
231.09813	1.3
239.06993	2.7
240.97249	1.2
243.08784	45.4
244.07133	2.6
247.12941	1.4
249.05481	17.7
250.06395	1.5
252.11394	1.2
267.06485	3.9
277.04965	10.1
278.05527	2.1
279.06412	2.2
281.04678	1.4
285.09848	1.4
295.06009	34.5
295.09256	2.2
298.11826	1.6
305.04211	1.8
316.12885	1.5
318.75253	1.5
323.05493	20.4
323.11499	1.4
329.11249	1.2
334.09604	1.3
341.06583	5.9
341.12527	7.9
359.13498	43.9
360.13754	1.6
374.36435	1.0
377.14517	3.2
396.09598	8.4
397.07846	2.2
414.10583	11.6
421.09103	7.1
439.10138	100.0
440.10104	2.6
457.11584	34.3
457.26465	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
65.56068	0.9
70.06588	3.5
70.09275	0.9
70.39148	1.8
70.39517	1.8
72.99530	0.8
84.08131	1.8
84.25778	0.8
85.59277	0.8
89.03928	1.4
98.21243	0.9
107.39746	0.8
110.07183	1.9
123.04446	3.3
133.02863	3.2
135.04437	1.4
137.02319	6.5
145.02913	1.7
147.04424	1.5
161.02322	1.9
162.03192	1.5
163.03885	10.9
164.04289	1.2
165.06985	11.5
173.02335	5.1
175.05450	0.9
176.06175	1.0
177.07031	1.5
187.03934	2.5
193.06432	7.9
197.05948	2.1
205.06505	2.0
211.07561	4.4
213.01859	1.9
221.05983	42.2
222.06476	1.1
223.07599	2.1
225.05499	3.9
231.02870	2.9
233.06029	1.7
239.07045	8.5
249.05470	54.6
250.06126	3.6
251.07124	1.7
253.04964	1.6
259.03751	2.0
266.05753	1.3
267.06537	9.3
277.04965	36.9
278.05740	4.6
279.06592	7.4
281.04639	1.1
295.06012	100.0
296.06522	2.7
305.04556	2.7
323.05511	70.7
324.05801	2.1
341.06583	22.5
397.62726	0.9
439.08069	0.9
457.07715	27.9
458.08154	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01859	2.9
55.05500	1.9
57.03432	1.6
57.07075	12.2
59.05001	100.0
61.02909	1.1
63.66052	0.9
67.05502	1.6
69.03427	7.6
69.07037	1.0
69.93068	1.6
69.93476	3.6
70.06583	2.8
71.04960	1.2
73.02911	1.5
79.05485	2.2
81.03419	7.7
81.07071	2.1
82.06573	1.1
84.04491	1.6
84.08118	1.3
85.02419	1.7
85.02908	15.9
86.09700	2.1
87.00835	8.8
88.28199	1.0
91.05505	1.2
93.07017	1.3
97.02905	5.9
97.06551	1.1
97.10136	1.0
98.09712	2.4
98.20825	1.3
98.21368	2.1
99.04425	1.5
101.09645	1.3
105.01873	5.1
105.07047	1.6
107.08543	1.0
109.02883	5.2
115.11205	31.4
117.09066	1.2
119.08521	1.0
120.08099	1.9
127.03918	10.1
130.06557	1.4
132.11807	1.1
136.06194	2.9
136.07457	1.4
145.04942	3.1
155.95831	0.9
159.02890	2.8
163.03922	2.9
164.04245	1.6
173.15425	5.0
176.14436	1.3
178.06931	1.0
180.10338	1.1
191.16420	55.7
231.05081	1.6
265.78671	1.0
387.95926	1.1
456.20605	2.0
456.36407	2.7
480.77924	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07493	0.8
55.44545	0.8
56.43703	0.8
63.05936	0.8
70.97822	1.8
98.21111	1.3
128.15211	0.7
455.11646	100.0
456.12036	3.0
473.88879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22723	0.9
55.47747	1.0
57.00971	0.8
58.74356	1.0
68.81630	0.9
70.97929	1.8
89.72451	0.9
98.21348	0.9
117.99799	0.9
120.78025	0.9
138.38609	0.9
148.28040	0.9
201.96210	0.9
216.66757	1.0
455.11639	100.0
456.11664	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	456.1687
Annotation	Gymnastatin A
Peak:m/z	Relative Intensity
52.03850	0.7
55.05509	1.9
58.99591	13.9
59.04994	1.6
67.05509	8.9
69.07071	5.2
70.06573	2.0
71.57516	1.3
81.07069	1.3
83.08636	2.0
84.08113	4.8
86.99051	5.5
87.02725	1.2
91.05500	1.0
93.07057	2.3
95.08592	1.1
97.06557	2.8
98.21414	0.8
99.28141	0.9
101.04245	6.0
105.00090	4.5
108.08094	1.3
110.09690	1.5
117.07034	0.9
130.06572	1.3
132.01184	1.9
173.06337	13.8
173.37234	0.8
186.05925	4.3
220.09686	4.8
284.11298	5.4
288.16168	1.0
303.87671	0.8
305.08316	2.8
310.12964	2.2
324.09033	4.6
325.07053	1.3
331.12088	1.4
354.11884	1.0
376.39850	0.9
394.16882	5.2
415.04910	2.4
433.06015	0.8
438.15860	1.8
456.16888	100.0
457.17285	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	454.2929
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05515	2.4
57.03433	3.7
57.07079	21.5
62.06092	25.7
63.34057	0.4
67.05500	4.0
69.07062	3.8
71.08633	14.3
74.09695	0.4
79.05450	0.4
80.28508	0.4
81.07059	6.3
83.08620	4.2
85.06542	0.5
85.10176	8.4
89.06038	0.8
93.93436	0.4
95.08601	8.2
95.69791	0.4
97.10182	2.0
98.98466	6.4
99.11720	0.5
103.07579	0.8
107.08584	0.4
108.12765	0.4
109.10168	3.5
111.11699	0.5
123.11691	1.3
124.01603	1.0
137.13243	0.6
142.02670	0.8
148.85860	0.4
155.01051	7.2
172.98717	0.4
173.02057	0.5
198.05325	1.3
204.17200	0.5
206.01984	0.4
216.06360	2.8
239.23735	2.1
245.78970	0.4
282.27896	11.3
313.27362	100.0
314.27731	1.7
393.23926	5.8
436.28159	2.3
454.29132	0.8
455.86911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90645	1.2
56.96567	41.1
69.80295	7.5
72.65634	1.3
83.28570	1.4
84.30837	1.3
89.03922	6.9
92.03454	1.3
98.20764	2.8
98.21414	2.9
98.97604	2.2
100.99144	4.0
103.02457	3.4
110.97557	9.6
117.03384	7.3
119.00179	1.7
119.01881	2.5
128.98608	18.9
131.01900	3.2
135.04433	11.9
144.98059	1.7
145.02750	8.0
146.99663	19.0
147.03307	2.0
147.04445	4.3
149.03030	2.3
156.98117	9.0
157.03468	4.1
162.99213	1.9
163.03928	48.1
165.00684	7.0
172.97589	3.4
173.03000	3.4
174.99158	61.9
177.05486	2.7
183.01711	2.2
187.04590	1.5
190.98627	8.6
193.00218	100.0
193.01587	4.0
198.00786	2.7
200.98735	1.6
201.02559	1.7
203.02055	2.1
205.00259	2.3
207.01767	2.4
208.99678	10.7
209.02977	3.4
211.01141	6.5
216.01695	1.7
218.99693	3.9
219.01703	2.1
221.02957	34.7
229.03831	2.0
237.00710	22.9
239.04095	9.8
247.04701	7.8
255.01791	16.5
257.05426	6.4
265.05624	6.6
272.99542	2.6
273.02850	12.4
275.03845	2.5
283.06738	7.2
291.00327	4.5
301.01898	1.8
316.99838	2.7
319.03207	12.1
335.00763	4.0
337.02121	14.6
353.01834	3.3
355.03284	30.8
373.04404	4.0
453.04996	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	453.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.8
55.21028	1.7
56.05042	55.9
61.01155	43.9
63.73510	2.0
67.05493	2.7
68.11130	2.1
69.07061	3.0
70.02956	12.7
70.06584	7.2
71.58286	2.5
72.08144	3.0
72.80988	2.0
74.06079	3.2
79.05499	3.7
81.03407	2.9
81.07056	4.2
82.06553	2.7
83.04979	2.5
83.08611	6.7
84.04495	7.4
84.08147	8.2
85.02895	2.7
86.09697	6.6
87.05600	94.7
88.03974	3.9
90.93892	1.9
91.05478	22.5
93.07059	5.5
95.08620	2.6
98.06062	26.7
99.05598	1.8
100.11263	24.4
103.05467	7.4
104.05338	100.0
105.07047	3.4
107.04977	5.2
109.10162	2.3
109.57561	1.7
110.06048	4.7
111.04480	3.3
114.09144	2.0
120.08120	41.6
120.08968	1.4
125.07068	2.2
128.07098	3.6
129.07007	3.3
129.10252	2.2
130.04984	5.2
130.06537	8.7
131.04936	5.6
133.10120	1.8
136.06175	6.9
136.07584	1.7
139.08655	2.2
144.08072	2.4
145.06120	4.2
146.06351	72.3
147.07692	2.7
154.06610	1.9
157.06496	4.1
166.08641	12.5
172.07614	11.3
173.07394	4.2
174.05862	60.2
175.07333	2.3
175.08687	26.7
182.06062	9.3
182.15382	6.7
200.07071	48.4
209.16483	6.1
210.14867	7.1
217.09904	2.4
221.09204	17.0
231.72256	1.9
234.12444	10.3
245.09206	8.7
246.07613	25.7
262.11865	8.6
263.10303	48.2
263.13156	2.6
280.12955	33.2
288.10144	9.2
301.11911	1.9
324.04779	3.3
411.18796	3.1
435.16928	3.0
435.33197	6.1
453.19046	2.7
453.34464	35.6
478.70676	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	451.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01864	9.9
55.05285	3.0
55.05515	26.2
57.03423	9.6
63.85505	2.0
65.03920	2.8
66.96480	2.1
67.05508	47.6
69.03418	7.3
69.07068	18.5
69.37582	19.4
71.04982	7.3
75.58955	2.2
79.05495	45.3
81.03425	8.0
81.07059	50.8
83.04991	3.9
83.08612	9.1
84.04506	2.7
84.08163	2.4
85.02907	5.1
87.04456	2.4
87.46947	2.1
91.05488	55.7
92.83599	2.6
93.07043	32.5
95.04961	18.3
95.08616	37.1
97.06532	7.5
97.10162	10.6
98.21010	9.5
103.05483	6.4
105.04502	2.2
105.07040	42.0
107.04967	31.3
107.08600	17.7
109.06517	8.1
109.10142	12.2
113.53586	2.4
115.05434	4.7
117.07011	21.9
119.04929	5.5
119.08592	22.5
121.06522	17.5
121.10132	11.4
123.04388	2.9
123.08094	12.2
123.11690	5.0
125.09612	9.3
128.06239	7.5
129.07031	28.2
130.05019	2.9
130.06534	37.8
131.04941	5.1
131.06903	3.2
131.08572	29.0
133.06494	13.5
133.10121	16.5
135.08020	7.8
135.11696	5.2
137.06018	3.3
141.07018	13.0
142.07710	3.9
143.07213	8.0
143.08553	23.8
144.08063	4.1
145.06474	7.7
145.10106	18.7
146.05998	7.5
147.07996	8.9
147.11693	9.4
149.09587	8.7
151.11194	6.1
155.08551	13.6
157.06538	3.5
157.10132	13.2
159.08012	9.7
159.11678	9.6
161.09639	10.9
161.13329	2.9
163.11241	3.5
165.07086	3.0
167.08580	5.2
168.09369	2.8
169.10152	9.7
171.08119	5.8
171.11700	13.2
173.09622	5.5
173.13274	3.3
175.11165	5.6
175.14746	2.5
177.09087	3.0
179.08539	3.6
181.10153	4.1
182.10817	2.7
183.11690	5.8
185.09633	11.7
185.13255	6.7
187.11168	7.6
189.09224	3.8
189.11205	4.3
189.12769	9.2
189.16376	2.9
193.10197	3.8
195.11754	3.5
197.09531	4.2
197.13167	5.2
199.11212	7.8
199.14803	4.6
201.12605	3.4
203.10652	5.3
211.11185	9.8
213.12730	7.2
217.12315	3.1
225.12750	5.2
229.12338	4.1
243.13882	4.2
249.14815	3.2
252.44978	2.7
275.11813	9.7
275.16373	4.8
295.20499	7.4
305.18835	6.5
313.21542	13.8
318.09579	4.7
323.20129	22.0
331.22693	6.8
341.21115	100.0
359.22177	38.6
377.23288	8.2
389.23099	4.4
415.24963	15.4
433.25964	42.5
451.27133	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.8
55.01875	11.3
55.05515	48.3
57.03434	9.0
63.34388	3.0
65.03957	6.8
67.05511	71.6
69.03408	5.7
69.07075	37.8
69.90720	14.0
71.04990	9.4
79.05490	64.8
81.03410	9.3
81.06583	4.0
81.07060	64.7
83.04971	7.4
83.08617	29.2
85.06549	10.1
91.05482	100.0
93.07052	72.3
95.04974	21.0
95.08604	40.3
97.06496	16.2
97.10161	7.1
98.20946	6.9
103.05467	9.0
105.07034	72.2
107.04963	19.4
107.08601	26.7
109.06493	11.8
109.10157	11.3
111.08082	9.1
113.06020	7.3
115.05466	13.5
116.06286	4.4
117.07021	57.6
119.04946	5.1
119.08591	48.1
120.99545	3.2
121.06514	21.8
121.10151	19.1
123.08062	10.0
125.09617	5.6
128.06183	17.5
129.07007	75.1
130.06535	17.8
130.07350	3.6
131.04945	5.0
131.08575	68.9
133.06476	17.3
133.10135	19.1
135.08040	28.8
135.11678	8.3
137.09616	9.5
139.07545	10.4
141.06990	31.3
142.07767	11.0
143.08563	47.4
145.06448	19.6
145.10127	21.5
147.08023	18.2
147.11684	10.8
149.09633	28.0
149.13237	4.4
153.07057	7.9
154.07780	7.5
155.08611	28.2
157.06506	7.3
157.08995	4.4
157.10110	25.0
159.08081	11.9
159.11687	12.0
161.09618	8.2
161.13248	5.2
163.11168	7.9
165.07047	10.6
166.07796	4.3
167.08585	22.3
169.10121	26.5
171.08095	4.6
171.11713	25.4
173.09630	8.0
173.13255	5.5
175.09641	5.5
175.11192	7.8
179.08585	9.7
180.09372	6.1
181.10162	17.5
183.07993	5.9
183.11702	23.1
185.09601	14.1
185.13245	15.2
187.11162	11.1
189.12671	4.5
191.10915	3.5
193.10172	8.3
193.12148	3.2
195.11671	25.6
197.09622	7.2
197.13310	15.9
199.11153	9.3
199.14906	6.5
201.12724	8.5
201.16414	3.6
203.14240	7.3
205.10225	4.5
205.12218	7.0
207.11685	11.6
207.13591	4.8
209.13229	15.5
211.11197	10.8
211.14842	9.5
213.12750	13.0
215.14331	6.5
219.11757	6.5
221.13303	9.2
223.11095	4.5
223.14963	4.4
225.12753	26.0
227.14334	4.7
229.12225	8.6
233.15402	14.1
239.14345	9.0
243.13818	13.3
247.13354	12.8
257.15366	10.0
260.26498	3.8
267.21182	3.4
277.19446	8.7
287.17944	10.6
295.20447	17.4
305.19098	23.4
313.21671	22.7
323.20001	68.4
341.21094	69.9
342.21725	4.2
359.22241	19.7
388.14801	3.3
415.24707	13.9
433.25964	38.3
451.26776	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	451.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.1
55.01867	9.0
55.05514	31.3
57.03424	13.3
57.06036	3.6
61.45705	3.2
62.24690	4.2
65.03912	4.8
66.25932	3.7
67.05168	5.1
67.05504	74.6
69.03416	5.1
69.07070	21.9
70.06591	4.1
70.19247	12.4
71.04977	4.1
79.05492	62.2
81.03419	9.4
81.07060	69.6
82.48254	4.1
83.04963	8.2
83.08599	10.9
85.06523	7.8
86.09727	4.4
91.05481	100.0
93.07045	58.4
95.04952	12.1
95.08602	36.8
97.06520	11.3
97.10180	6.5
98.21005	8.2
101.06036	3.9
103.05446	4.6
105.07029	62.0
107.04961	14.6
107.08601	24.7
109.06490	5.0
109.10142	14.2
111.08074	8.3
115.05479	15.2
117.07018	59.1
119.08578	56.9
120.61182	3.8
121.06493	10.5
121.10163	30.5
123.08054	10.1
125.09612	5.4
128.06207	19.2
129.05507	5.0
129.07010	78.8
130.06520	26.5
131.08577	75.9
133.10139	25.6
135.04395	8.3
135.08083	8.5
135.11674	13.8
137.09607	12.0
141.06976	27.7
142.07768	13.2
143.07333	12.6
143.08559	62.1
145.06480	12.0
145.10110	44.8
147.08066	20.2
147.11673	16.4
149.09622	18.1
151.11206	8.7
155.08548	26.6
156.09154	4.0
157.06497	6.3
157.10156	42.3
159.08009	10.7
159.11690	22.8
161.09612	14.5
161.13266	3.9
163.11156	13.8
165.07124	3.9
165.09123	9.5
167.08559	16.5
168.09274	5.4
169.10107	35.5
171.08098	7.0
171.11697	53.5
173.09665	16.7
173.13295	7.4
175.07535	5.0
175.11243	12.5
177.09047	6.3
177.12752	10.2
179.08652	9.3
181.10104	20.0
183.07997	4.7
183.11665	35.7
185.09599	15.2
185.13242	16.8
185.70755	4.2
187.11166	14.9
189.09143	5.3
193.10117	5.7
195.11771	19.6
197.13245	17.4
199.11139	7.2
199.14859	7.7
201.12712	8.9
203.10747	5.1
207.11717	9.5
209.13351	10.4
211.11154	18.1
211.14784	9.4
213.12796	9.2
215.10605	6.2
221.13330	7.3
223.14917	5.1
225.12727	4.6
229.12273	8.1
243.13791	7.7
274.13162	3.9
275.11731	11.2
277.19489	11.5
287.17969	7.2
295.20523	31.7
305.18930	9.4
313.18228	6.5
313.21619	74.2
315.23212	10.1
318.09601	4.2
323.20084	48.4
331.22580	9.2
341.21179	63.4
359.22241	35.1
377.23260	5.1
400.22131	3.8
415.24765	43.8
433.25940	34.7
451.26898	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88872	3.5
94.93035	2.4
157.17831	1.2
248.89651	5.7
349.84897	1.8
391.02774	1.9
451.04871	100.0
452.05133	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	11.7
62.70018	3.8
67.05521	5.4
69.07079	4.4
69.95216	4.1
70.93633	9.3
79.05505	4.4
81.07047	6.0
83.06105	5.9
84.04501	18.8
84.96041	9.1
93.07063	6.3
95.08597	7.6
97.06532	5.1
98.97594	36.1
101.07120	4.3
105.07047	8.2
107.08620	10.2
110.97604	6.8
116.98631	16.7
118.98799	4.1
120.74333	3.6
127.71114	3.8
128.98610	14.5
129.06546	9.4
130.05005	13.8
130.06575	4.8
134.99648	5.8
137.05992	18.0
140.91365	3.7
143.07376	4.5
146.99657	6.8
147.07684	9.2
149.13242	4.8
159.99603	4.1
161.01312	5.3
166.91875	3.9
177.00774	5.8
185.01311	4.0
189.00703	4.3
202.46529	4.3
219.01805	21.3
224.03632	7.5
237.02850	45.3
261.02841	7.8
305.24884	4.8
318.09711	5.2
365.09027	8.9
383.10199	30.1
407.11005	9.3
425.10876	6.4
451.10040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
53.80784	1.1
55.01864	2.4
55.05503	3.9
56.05045	6.4
58.99595	7.1
59.96724	1.1
60.04510	2.2
61.01155	2.4
68.05023	2.6
70.02955	23.0
70.06599	13.6
70.99594	1.8
71.87122	1.0
72.04514	1.3
72.08154	7.7
74.02437	3.9
76.02229	3.3
76.04011	10.4
80.05019	1.6
81.03405	4.4
82.06604	1.5
83.06110	2.3
84.04508	24.4
84.08137	5.4
85.01133	2.9
85.02930	1.1
85.04031	2.0
86.09711	7.3
86.99036	3.4
87.02697	30.2
88.02228	1.8
88.03993	4.6
91.05480	2.3
95.06077	2.4
96.04510	2.7
99.05578	19.1
100.02214	2.8
101.04258	1.6
102.05540	1.2
105.07047	1.1
107.06087	11.1
108.04456	1.5
109.07655	2.8
110.06027	1.0
110.07167	5.2
112.02204	22.9
113.03506	1.1
114.03732	1.7
116.01688	15.3
116.03459	3.2
117.06651	1.1
119.04966	2.1
120.08105	7.2
121.02910	1.5
124.02151	1.9
125.07143	2.1
126.03735	3.5
127.05018	2.9
129.10275	2.4
130.03258	10.7
130.04999	13.5
130.06485	1.6
131.04524	1.6
135.04428	1.1
135.05534	2.5
136.07552	3.6
138.02786	1.4
138.03705	6.5
140.05254	1.3
142.03253	1.9
143.10686	2.1
144.01115	4.2
144.04776	1.3
144.11000	2.0
145.06087	100.0
147.04405	3.4
153.01842	3.0
153.04813	9.1
153.06596	20.5
154.02162	1.2
155.06276	1.0
155.08122	2.2
160.02495	1.6
162.02266	5.3
165.01717	1.2
169.06114	2.7
171.05864	5.3
171.07614	2.0
177.03340	3.7
179.04848	2.1
181.04388	1.6
181.06117	3.4
182.55206	1.3
185.03784	2.2
195.05948	1.4
199.05359	3.9
199.07108	24.3
201.05501	1.3
203.04890	4.7
210.06982	2.9
211.07120	1.3
215.04898	9.1
229.04778	1.1
235.10741	1.6
236.56488	1.2
241.06432	31.0
247.05716	1.9
256.07260	1.6
256.09586	1.9
261.12482	1.1
271.14502	1.5
274.08508	24.8
287.05515	12.5
288.05814	9.6
289.06329	35.9
303.05045	9.6
304.05338	9.6
305.05573	23.9
343.69406	1.0
353.14395	2.1
451.11740	12.7
451.21619	2.6
451.28198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58063	3.0
53.03933	5.4
55.01884	6.2
55.05510	33.9
57.03437	5.8
67.05514	35.2
69.03432	3.0
69.07068	20.5
71.58475	3.1
76.29292	2.9
79.05489	42.9
81.03419	7.2
81.07049	28.3
82.07409	4.0
83.04989	8.1
83.08619	13.1
85.02954	4.5
87.04435	3.6
91.05489	31.1
93.07047	26.9
95.04971	11.5
95.08617	14.2
95.35987	3.9
97.06509	9.5
97.10194	16.2
103.05460	5.4
105.07024	12.6
107.04971	11.4
107.08591	12.5
109.06511	4.1
109.10134	6.7
117.07028	18.6
119.04936	6.6
119.08578	13.0
121.06518	11.2
121.10149	8.6
123.08110	3.6
125.09634	14.3
128.06258	4.6
129.07008	9.5
130.06514	4.3
131.08560	12.1
133.06473	4.6
133.10133	6.3
135.08090	5.5
135.11746	4.0
137.09567	4.4
141.06981	8.3
143.07054	6.6
143.08571	11.5
145.06456	7.9
145.10138	10.3
147.08026	4.9
149.78506	3.8
157.10133	8.7
159.11719	9.2
161.09674	6.0
163.11176	4.7
167.08534	5.1
169.10141	6.6
171.11639	3.7
173.09683	3.7
175.11206	4.3
181.10245	3.3
183.11844	3.8
185.09677	7.7
187.11136	22.8
189.11244	12.6
199.11160	5.7
207.11891	3.2
213.09119	4.2
227.10791	4.3
227.12807	7.9
262.31323	3.0
277.14255	4.4
287.05536	11.5
303.05063	23.3
308.23264	6.2
311.20062	9.5
321.18359	6.0
329.21204	10.3
333.17230	3.3
339.19550	32.3
357.20645	16.7
375.21725	8.5
413.23502	6.5
431.24152	32.4
449.29291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.05514	100.0
57.03440	5.5
57.07065	1.6
60.74595	0.9
67.05508	18.4
69.07065	3.5
69.50719	0.9
70.03272	0.9
70.03593	4.6
71.04961	1.2
71.29175	0.9
79.05492	12.3
81.07062	20.6
83.04952	0.9
83.08625	41.5
85.06555	1.7
89.06020	1.5
91.05489	16.4
93.07045	14.3
95.04983	2.4
95.08607	11.0
97.06544	1.8
97.10182	1.0
98.21095	2.4
105.06499	0.8
105.07053	11.4
107.08586	6.8
107.95374	0.8
109.06487	1.8
109.10151	5.7
111.08075	1.8
114.22961	0.9
117.07035	6.5
119.08571	7.7
121.06467	1.7
121.10149	6.5
123.11723	0.9
125.09686	1.1
129.06978	1.4
131.08571	9.2
133.08540	1.4
133.10126	9.1
135.08070	6.2
135.11722	4.9
137.09590	2.6
140.13419	0.9
143.08562	1.1
145.10139	7.8
147.08031	1.2
147.11722	5.2
149.09641	4.4
149.13268	2.2
153.09154	1.1
157.10110	2.4
159.11700	8.3
161.13310	2.4
163.11150	2.4
165.12750	1.4
171.11688	3.2
173.13255	3.7
177.12743	5.6
180.79778	0.8
183.11777	1.4
191.14423	1.7
195.13686	1.1
197.13248	1.0
229.19464	1.3
239.18059	4.3
247.20641	1.2
257.19031	5.7
275.17267	2.0
275.20093	25.7
287.05524	2.5
293.21091	1.7
303.04984	2.5
331.55191	1.0
349.23676	4.8
357.28180	1.2
367.24677	4.5
449.25864	1.3
449.32639	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	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
54.84584	0.3
55.01866	0.7
57.03432	0.9
58.33568	0.3
61.02914	1.4
66.51244	0.4
68.99789	0.6
69.03421	2.6
70.13840	1.4
70.14216	0.7
70.74397	0.3
81.03429	1.9
85.02420	0.6
85.02908	9.3
91.03933	0.5
97.02889	2.8
97.47545	0.3
98.20873	0.6
99.04490	0.4
105.03432	0.4
107.04932	0.6
109.02850	1.0
111.00791	0.8
112.11151	0.4
121.02879	3.4
127.03899	1.5
135.04401	0.4
137.02342	1.3
145.04993	1.0
147.04456	0.6
153.01823	5.1
153.03014	0.6
157.06541	0.5
165.01814	1.9
171.04430	0.5
183.02859	0.8
185.06003	0.5
206.64745	0.4
213.05490	1.5
231.06506	0.7
241.04955	0.8
258.05234	1.3
287.05502	100.0
288.05765	2.4
292.11813	0.4
333.67053	0.4
470.40829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03919	0.2
55.01856	0.2
57.03428	0.6
61.02929	6.4
67.05509	0.3
68.99782	0.8
69.03429	1.4
70.06586	0.4
70.53979	0.2
70.76058	0.2
70.76404	0.6
71.05003	0.3
73.02913	1.3
79.05471	0.3
81.03403	0.7
81.07052	0.2
83.04970	0.4
84.04502	0.3
84.08131	0.3
85.02419	0.4
85.02908	5.5
85.98234	0.2
91.03956	3.1
91.05484	0.4
97.02888	2.9
97.06532	0.8
99.04447	0.2
107.04941	0.6
109.02851	0.5
111.00803	0.8
115.03921	0.3
120.08075	0.4
121.02862	3.5
127.03919	1.1
129.06973	0.3
133.02809	0.4
137.02385	1.3
145.04959	0.6
145.06503	0.3
147.04414	1.1
153.01830	4.7
157.06529	0.5
165.01830	2.1
171.04399	0.4
177.05516	0.4
183.02896	0.7
185.05934	0.6
201.05405	0.3
205.84605	0.2
213.05482	1.4
229.05026	0.4
231.06485	1.1
235.16881	0.3
241.04973	1.0
257.04422	0.2
258.05255	1.4
259.06128	0.3
262.90384	0.2
266.13556	0.2
269.04422	0.3
287.05496	100.0
288.05853	1.9
291.54630	0.2
299.05753	0.3
303.05002	6.6
353.06317	0.2
402.15857	0.2
449.17465	0.4
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	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
55.01878	0.1
56.21323	0.1
56.50441	0.1
65.03921	0.3
67.01871	0.1
68.99785	0.7
69.76532	0.5
69.77560	0.1
70.06555	0.1
71.04981	0.4
72.01414	0.1
72.89648	0.1
81.03407	0.2
85.02909	0.5
86.09708	0.1
93.03387	0.3
95.04945	0.4
98.21098	0.3
107.04960	0.1
109.02863	0.6
111.00804	1.1
117.07016	0.1
119.90742	0.1
121.02870	1.4
123.04427	0.3
126.84332	0.1
127.03922	0.2
135.04417	0.3
137.02339	3.9
137.03328	0.1
145.06491	0.2
149.02319	0.6
153.01826	4.8
155.04849	0.3
161.06035	0.5
163.03920	0.7
165.00519	0.2
165.01840	2.5
166.02597	0.3
173.06006	0.6
177.01843	0.2
177.05482	0.1
179.03464	0.2
183.02881	1.0
183.04449	0.4
187.03932	0.4
191.03416	0.2
195.02896	0.2
201.05479	2.2
205.05032	0.2
207.02861	0.1
211.03865	0.2
213.05423	0.2
215.03482	0.1
219.02930	0.2
219.06516	0.3
228.04185	0.3
229.04964	5.4
239.03387	0.2
246.05328	0.1
247.05998	0.9
257.04446	3.7
274.04730	0.9
275.05341	0.2
285.03961	1.4
286.04916	0.1
287.05508	1.2
303.04990	100.0
304.05331	1.6
449.10684	0.4
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	Unknow
Peak:m/z	Relative Intensity
55.01876	0.1
56.63323	0.1
57.03416	0.2
60.67104	0.1
65.03929	0.3
67.01870	0.1
68.60513	0.1
68.78915	0.1
68.99784	0.9
69.03422	0.2
69.58713	0.7
70.06590	0.2
71.04981	0.4
77.11113	0.1
81.03419	0.2
84.04502	0.1
85.02903	0.6
86.09702	0.2
87.50735	0.1
87.85925	0.1
90.25571	0.1
93.03387	0.3
95.04968	0.2
98.21317	0.3
107.04932	0.1
109.02897	0.6
111.00805	1.4
121.02880	1.3
123.04427	0.3
127.03916	0.2
131.04941	0.1
133.02756	0.1
135.04425	0.2
137.02347	4.1
137.03363	0.2
137.05795	0.1
145.06535	0.2
147.04401	0.1
149.02367	0.5
153.01837	5.0
155.04929	0.2
159.04543	0.1
161.05934	0.4
163.03925	0.8
165.01833	2.8
166.02632	0.4
173.06030	0.6
175.64810	0.1
177.01823	0.1
183.02951	1.2
183.04437	0.3
187.03864	0.6
191.03545	0.2
191.07027	0.2
195.02930	0.3
201.05490	2.3
205.04980	0.2
207.02919	0.2
211.03998	0.1
213.05536	0.3
215.03424	0.2
219.02974	0.2
219.06540	0.3
228.04205	0.3
229.04976	5.2
232.03720	0.2
239.03465	0.2
247.06062	0.8
257.04446	3.4
266.70169	0.1
274.04761	1.0
275.05432	0.3
285.03964	1.6
286.04764	0.2
287.05533	1.2
299.05438	0.2
303.04993	100.0
304.05325	1.9
315.04718	0.2
329.06665	0.2
345.06296	0.2
369.06415	0.1
413.08536	0.2
431.09418	0.1
449.10709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.1
55.01867	0.1
57.03420	0.1
65.03931	0.2
67.01868	0.1
68.99785	0.7
70.27134	0.2
71.04988	0.4
80.66132	0.1
81.03398	0.2
84.24956	0.1
85.02914	0.4
93.03397	0.4
95.04955	0.4
105.03415	0.1
107.20974	0.1
109.02872	0.5
110.03679	0.1
111.00803	1.1
111.04391	0.1
117.06995	0.1
121.02007	0.1
121.02863	1.0
123.04436	0.3
127.03893	0.1
129.05475	0.1
131.04916	0.1
131.33453	0.1
135.04434	0.3
137.02339	3.9
143.04822	0.1
145.02876	0.1
145.06471	0.2
149.02356	0.6
153.01823	4.4
155.04913	0.2
157.06525	0.1
159.04372	0.1
161.06000	0.3
163.03897	0.7
165.01837	2.0
165.03250	0.1
166.02669	0.3
171.02892	0.1
171.04333	0.1
173.06030	0.5
177.01872	0.1
177.05502	0.1
179.03360	0.1
183.02878	1.0
183.04433	0.3
187.03973	0.4
191.03372	0.2
191.07106	0.1
194.02141	0.1
195.02924	0.2
201.05458	2.0
205.04951	0.2
207.02863	0.2
211.03874	0.2
213.05540	0.2
215.03281	0.1
219.02950	0.2
219.06622	0.3
228.04181	0.3
229.04956	4.9
231.02705	0.1
239.03369	0.2
245.04346	0.1
246.05371	0.1
247.06029	0.8
257.04431	3.2
274.04785	0.8
275.05453	0.3
285.03976	1.4
286.04709	0.1
303.04977	100.0
304.05325	2.0
449.10687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98252	0.5
56.05008	1.4
60.05624	1.3
64.46851	0.4
69.93490	0.6
69.93899	1.8
70.06593	0.6
77.90788	0.4
79.05480	0.7
83.06082	1.8
84.08096	0.5
86.09686	1.0
91.05448	0.8
95.06062	0.6
96.02525	0.5
96.04475	0.5
105.03364	1.6
105.05782	1.3
106.06531	1.7
110.07155	0.5
111.05582	6.8
113.07086	1.3
120.04474	14.5
123.05536	1.0
126.06640	11.2
130.06535	0.4
130.98457	0.4
132.04457	25.1
132.08040	0.8
132.48274	0.5
134.06020	9.2
137.04697	2.3
140.08182	1.1
145.03978	0.8
146.02386	1.0
147.04370	0.7
149.07051	0.9
151.04997	0.8
151.06142	9.2
159.05533	0.9
161.07224	0.5
162.06610	0.8
168.08830	3.3
202.09753	14.9
202.11649	0.9
202.78926	0.4
214.09782	0.6
215.08301	0.6
216.11337	3.3
216.43747	0.5
230.09250	9.1
231.12389	1.3
232.10786	5.0
242.09267	4.4
257.10349	6.2
259.11911	82.1
260.12155	1.7
276.14569	0.9
277.12967	2.6
284.11420	5.7
295.96509	0.6
301.14072	9.0
302.12469	36.3
303.13046	0.8
319.15198	2.8
362.18253	1.3
388.16415	0.6
395.66647	0.5
406.17224	13.7
413.15536	0.7
415.43152	0.5
430.18335	1.5
431.16721	1.4
448.19403	100.0
449.19794	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	448.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01869	6.0
55.05509	4.1
57.03424	5.6
57.11634	1.6
59.04942	1.8
59.15456	1.5
61.02914	7.4
67.05503	7.0
68.67464	1.7
68.99811	2.1
69.03427	33.5
69.07056	2.1
70.06585	5.6
71.01344	2.2
71.04974	5.4
71.29523	1.6
71.47430	3.6
72.08131	2.6
73.02896	6.0
79.05502	4.3
81.03414	36.7
81.07053	9.1
83.04972	2.7
84.04515	3.4
84.08145	3.6
85.02905	81.8
85.06537	2.0
86.09702	4.8
87.00834	28.5
87.59740	1.8
91.03931	2.6
91.05466	8.3
93.07038	6.3
95.04989	2.3
95.08640	3.3
97.02892	60.3
97.03513	3.6
97.06535	1.8
99.04460	11.5
105.01863	93.2
105.07023	10.4
107.08584	4.8
108.04494	5.8
108.08901	2.2
109.02876	41.8
109.06550	2.0
109.10161	2.0
111.04446	4.2
111.08044	1.9
115.03985	2.2
119.08567	4.4
120.08058	2.4
121.10149	3.7
123.04416	4.1
123.11707	2.0
126.05543	1.8
127.03915	100.0
129.01863	2.1
130.06508	2.9
131.08569	1.8
133.10118	5.9
136.06105	2.1
143.04919	2.2
143.08568	2.4
145.04964	34.1
147.11687	6.4
148.12007	5.3
149.02287	3.0
151.03923	1.7
155.08563	1.7
159.02844	8.0
159.11678	2.0
161.05983	2.8
161.09592	8.1
163.07629	1.5
163.11240	2.2
165.09145	2.2
165.12775	1.6
173.05988	4.9
185.09650	2.5
189.03925	3.5
189.08961	2.1
211.13188	2.6
213.03983	6.0
225.11157	2.3
231.05000	41.5
231.07220	3.0
241.08501	2.5
248.07692	6.6
249.06039	25.6
266.08691	18.9
285.12042	2.3
286.17230	2.6
287.05524	3.6
297.07266	2.4
301.18063	2.6
315.13733	5.5
333.15414	7.1
368.19122	5.7
397.93176	1.9
404.92465	1.7
448.18509	6.7
448.23407	3.1
455.11505	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
56.05028	4.0
57.03439	8.8
58.99593	2.6
60.04523	2.7
67.05512	1.5
68.05025	2.4
69.07068	2.2
69.96436	2.8
69.96830	7.2
70.06593	20.6
72.08150	5.8
73.01167	1.4
76.04020	1.6
79.05489	1.8
79.67342	1.4
80.05011	5.1
81.03453	1.7
81.04542	9.0
81.07059	1.7
82.02947	1.8
82.99561	3.3
83.06103	6.1
84.04506	40.7
84.08144	7.8
84.97485	3.2
85.01133	1.9
86.00652	1.8
86.09716	16.2
87.05608	1.8
87.10043	2.7
91.05489	3.4
94.06545	2.6
95.04967	1.6
95.08590	1.7
97.01119	5.0
99.02673	1.8
99.05557	3.4
100.02230	2.6
102.05552	1.7
104.04967	2.2
105.05771	2.3
106.06561	3.1
107.06075	2.0
107.07349	3.5
109.02859	1.8
109.07633	6.6
110.07198	2.4
110.99009	1.7
111.02697	9.9
112.02164	1.8
116.01656	2.5
117.00115	2.1
119.04933	3.6
120.08126	2.3
122.06250	2.8
122.07143	25.9
123.02670	6.0
124.02171	9.8
125.02854	1.9
126.03745	2.2
126.05498	2.1
129.06621	4.0
129.10243	2.4
130.05006	9.3
132.04477	1.8
133.05209	2.3
137.02299	2.1
138.03731	31.1
138.98482	3.6
139.02179	7.1
140.01648	2.2
140.05298	11.5
140.08168	9.1
141.00082	4.6
141.06583	1.7
142.03235	3.5
144.99588	2.6
145.02840	2.4
145.06047	1.9
147.04433	10.2
149.02402	2.1
150.03761	3.6
151.02226	1.7
153.01796	2.9
153.06635	4.1
155.08180	3.7
156.04803	4.6
157.03203	8.1
159.09157	1.8
162.05501	1.8
166.03233	95.7
167.01620	17.6
168.04791	20.4
168.07680	2.3
173.02693	4.2
177.05450	2.8
181.06113	1.6
182.06375	3.8
184.04234	11.3
194.02705	15.1
195.07768	1.7
196.04289	2.1
198.05835	11.6
199.04178	12.3
199.07095	2.6
212.03787	6.3
216.06879	9.8
222.05849	1.6
223.05368	27.1
223.07260	7.3
241.06412	4.5
245.06023	6.0
250.05342	12.3
257.07590	1.7
259.11963	1.7
263.13882	5.7
269.05923	100.0
278.04840	2.3
283.07458	18.6
287.05655	18.2
295.07730	1.8
301.08542	84.7
302.13419	2.3
303.05042	48.1
341.07956	6.6
353.08029	3.6
373.10696	29.8
416.11328	3.5
433.03320	1.7
448.18155	8.7
462.80692	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2611
Annotation	Asn-Leu-Leu-Ser
Peak:m/z	Relative Intensity
56.05036	1.0
56.96579	0.5
57.56153	0.4
57.98319	0.5
58.54452	0.4
60.04528	5.4
60.05635	0.5
67.05494	0.5
69.07069	6.4
70.02956	0.6
70.06601	4.6
71.57084	0.6
72.08161	4.3
73.04761	0.5
74.02452	0.7
74.06084	1.5
80.58965	0.4
81.03434	0.5
83.06110	0.8
84.04504	1.5
84.08152	3.3
85.02906	0.4
85.26465	0.4
86.09709	100.0
87.05602	7.0
87.10039	1.5
88.04012	1.0
91.05805	1.5
106.95563	0.4
110.07167	0.6
116.03423	0.6
120.08112	1.1
126.05560	0.4
128.10704	2.6
129.10239	1.6
129.11111	0.4
130.04991	0.5
131.04918	0.5
133.06096	13.6
138.09184	0.5
141.10197	0.6
142.63567	0.3
145.07576	0.5
147.04382	0.5
147.07750	0.4
152.05630	0.5
155.11807	0.6
156.10294	0.4
167.05614	0.7
172.66840	0.4
173.12866	29.9
183.11346	0.6
199.18126	0.6
200.13982	1.4
201.12354	22.1
216.09927	1.0
219.13385	0.5
227.17575	0.5
228.13419	0.9
229.11823	2.9
230.11610	0.5
246.14497	18.2
254.10475	0.5
265.97052	0.4
269.18677	1.9
277.08145	0.4
314.20758	5.1
349.15854	0.7
360.02859	0.8
384.16208	0.7
446.16559	6.0
446.27115	1.4
447.16428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.3
57.07051	5.1
64.48232	3.2
66.60929	3.3
67.05512	23.7
69.03439	4.0
69.07063	9.8
69.17932	3.0
69.23789	3.1
71.04987	4.0
71.08629	7.6
71.58564	5.2
79.05487	17.9
81.07047	32.2
83.04977	3.7
83.08633	6.9
85.06532	4.9
87.12502	3.1
91.05482	17.7
93.07059	21.0
95.04984	12.7
95.08597	16.2
97.02879	4.8
97.06529	10.0
98.70900	3.2
99.08114	3.6
105.07038	11.1
107.08589	13.0
109.06512	26.8
109.10181	6.6
111.04441	7.6
119.08569	14.4
121.06510	13.7
121.10161	13.2
123.04404	6.7
123.08057	3.6
123.11709	4.4
131.08566	14.6
133.10165	7.0
135.08060	7.8
135.11597	3.7
143.08514	4.9
145.10088	6.6
147.08086	3.9
149.09698	7.8
163.11151	7.9
165.12753	19.8
181.12241	73.7
184.04471	5.1
191.14386	6.7
201.16576	4.1
207.35097	3.6
258.45801	3.5
289.25168	4.1
291.22925	3.5
317.24741	45.4
333.24347	16.0
335.25674	7.6
401.11847	3.4
409.29471	100.0
410.29626	4.4
434.29111	3.6
443.29562	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	442.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08045	0.4
58.73316	0.4
68.40347	0.4
70.06589	5.9
70.38557	1.1
70.38911	0.7
72.08146	2.6
76.53168	0.5
77.70981	0.5
84.04462	0.5
84.08102	1.5
86.09689	3.1
110.07146	1.4
114.43798	0.4
115.08670	0.7
116.07110	1.0
120.08104	0.9
129.10185	0.8
146.02669	0.9
147.04369	0.8
148.23616	0.5
180.08018	0.6
189.06995	1.0
190.06528	0.6
191.07237	1.1
192.08069	3.4
200.13838	0.7
206.09653	2.5
214.11864	1.2
215.07249	0.9
215.13901	1.3
216.08081	8.2
217.08789	0.7
218.09689	0.7
220.07635	3.7
228.13448	0.7
233.08337	1.8
234.09151	4.5
236.07056	3.6
238.08624	5.6
244.07558	3.3
246.09093	0.6
249.07852	1.4
261.07861	0.8
262.08630	100.0
263.09195	4.7
266.07565	0.5
272.07083	1.6
280.06833	0.9
282.21280	0.5
290.08115	78.0
291.08405	1.8
308.09311	3.5
424.10300	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06607	3.9
72.08157	2.2
75.75529	0.4
81.44255	0.4
84.04475	0.6
84.08105	0.8
86.06077	0.5
86.09713	2.4
87.05574	0.5
91.49281	0.5
98.21331	2.1
103.90791	0.4
110.07211	0.4
116.07105	0.9
129.10229	0.6
141.10210	0.5
152.05669	7.6
153.04013	1.0
155.11705	0.6
183.11224	0.5
189.06987	1.2
191.07249	0.9
192.08109	2.9
200.13971	2.1
204.08055	0.7
205.08894	0.6
206.09641	2.4
215.07245	0.8
216.08092	8.7
217.08867	0.7
220.07600	3.7
228.13402	1.8
232.07605	0.5
233.08334	1.1
234.09081	4.3
235.07420	0.6
236.07083	3.5
238.08633	4.3
244.07655	2.7
248.07047	0.6
249.07768	1.5
250.08659	0.8
262.08630	100.0
263.09186	3.8
264.10223	0.5
266.08179	0.8
272.07059	1.5
275.83792	0.5
280.09650	0.5
290.08115	72.5
291.08466	1.4
307.08542	0.5
308.09195	3.2
326.05130	0.6
327.20322	0.7
331.67737	0.5
424.10278	15.3
424.21841	0.6
442.06076	0.6
442.23468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.3
57.02362	0.3
57.21220	0.3
60.04486	0.5
60.05651	6.6
61.16031	0.2
69.07072	9.4
69.38559	0.7
69.38969	1.8
70.06593	20.9
72.04474	0.3
72.08154	1.9
86.06066	0.4
86.09708	100.0
87.10017	0.6
89.16943	0.3
93.34075	0.3
98.06071	0.4
112.08735	3.3
113.07076	0.7
114.10290	0.5
115.08692	3.9
116.07096	8.2
125.56706	0.3
128.10724	17.5
128.11758	0.8
129.11145	0.3
130.09752	3.1
133.09727	1.3
146.02731	0.3
153.89030	0.3
156.10179	1.3
156.11325	8.9
157.10889	0.6
158.09250	6.7
175.11919	18.6
199.18037	0.5
226.15540	0.8
228.17021	0.5
229.15616	0.4
253.16537	0.3
269.18610	0.8
271.17670	8.6
271.20609	0.4
288.20340	1.1
401.27921	0.4
414.88452	0.3
425.28558	0.8
443.29788	89.4
444.30069	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
54.42944	2.0
55.01868	4.6
55.05258	2.5
55.05514	26.5
57.03442	23.8
57.07071	3.1
59.08913	1.7
65.03959	5.1
67.05509	98.1
69.03428	3.0
69.07078	23.7
70.83340	5.8
71.05003	4.4
75.04489	6.9
79.05498	82.8
81.03453	2.2
81.07063	95.2
83.04993	7.6
83.08635	18.2
84.95797	2.0
85.06551	7.0
88.82774	1.8
91.05487	100.0
93.07053	75.1
95.04984	14.0
95.08616	54.0
97.06542	14.1
97.10177	6.8
99.08084	3.7
102.81541	2.2
103.05495	3.0
103.49529	1.9
105.07042	45.8
107.05007	2.5
107.08606	36.7
109.06525	7.8
109.10182	16.8
111.08096	12.5
115.05470	3.5
116.06316	2.2
117.07024	33.2
119.08588	36.7
121.06506	5.8
121.10145	31.4
123.08113	5.6
123.11727	4.2
125.09653	4.5
129.07028	8.9
131.07080	2.2
131.08588	44.6
133.10135	36.9
135.08073	22.5
135.11697	17.8
137.09653	9.6
139.11185	4.6
141.07083	3.6
143.08565	6.9
145.10127	33.1
147.11688	20.0
149.09616	20.6
149.13286	9.1
153.12691	2.3
155.08559	2.1
157.10130	11.4
159.11703	34.0
161.09648	4.1
161.13245	6.4
163.11235	11.5
165.12788	6.4
166.98764	1.9
169.10187	3.9
171.11699	13.6
173.13290	17.3
175.11163	3.4
177.12764	29.8
183.11714	4.5
184.07356	2.2
185.13443	2.1
187.14842	2.0
189.12778	2.4
191.14365	4.3
193.52657	1.7
194.61752	1.8
197.13367	4.1
213.16508	2.0
229.19501	5.6
239.17998	17.0
247.20587	4.5
257.19009	20.8
275.20090	87.8
324.60104	1.7
349.23788	34.4
367.24893	18.1
423.27481	3.0
441.28549	40.0
455.89679	1.8
457.99811	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	441.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.0
52.78329	1.8
53.03938	7.8
53.12128	1.7
55.01868	3.2
55.05511	21.7
57.03438	19.6
65.03931	7.3
67.05506	100.0
69.07066	21.5
71.04985	4.9
71.58165	2.8
75.04472	5.5
79.05495	74.8
81.03430	2.8
81.07056	98.8
83.04959	5.6
83.08617	14.7
85.06542	6.1
89.95558	1.7
91.05485	88.4
93.06471	4.4
93.07045	81.5
95.04972	13.6
95.08611	50.6
97.06539	11.3
97.10170	6.5
99.08075	5.5
105.04494	2.9
105.07032	42.7
107.04944	3.9
107.08598	35.4
109.06496	7.3
109.10161	13.4
111.08096	13.2
115.05456	2.9
117.07018	29.4
119.08582	41.5
121.06486	5.9
121.10155	29.2
123.08059	5.1
123.11649	3.8
125.09645	9.2
129.06976	6.8
131.07057	2.5
131.08569	45.8
133.10129	45.8
135.08054	27.6
135.11710	21.6
137.09625	10.0
139.07549	2.2
139.11278	2.2
141.06989	4.3
143.08548	6.7
145.10123	33.0
147.11684	24.9
149.09642	16.5
149.13251	14.7
151.11194	3.4
157.10091	10.9
159.11696	33.1
161.09682	5.7
161.13225	7.0
163.11206	12.1
164.48695	2.0
165.12741	3.3
169.10152	2.1
171.11716	11.8
173.13272	17.7
175.11237	3.8
177.12767	28.4
183.11656	6.1
185.13206	3.2
187.14885	2.3
189.12808	2.3
191.14281	4.3
195.13831	2.8
197.13249	7.0
217.07108	1.9
229.19510	3.2
239.17957	14.6
247.20595	2.7
257.18997	18.1
275.20078	75.5
276.20215	2.3
349.23709	25.7
367.24841	17.2
423.27390	3.9
441.28613	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66314	3.4
53.03934	7.9
55.01873	5.0
55.05510	29.4
57.03435	24.4
65.03937	6.4
67.05509	97.0
67.94804	3.4
69.07066	24.5
69.55798	25.2
70.46822	3.4
79.05064	4.1
79.05499	69.6
79.56277	3.4
81.07059	100.0
83.04510	4.2
83.04966	8.4
83.08614	15.1
85.06563	9.4
85.97913	3.5
91.04960	6.5
91.05486	93.0
93.07045	94.5
95.04950	12.8
95.08609	56.9
97.06537	12.0
97.10179	9.7
99.08073	4.5
105.07035	44.1
107.08582	34.3
109.06521	6.3
109.10157	13.9
111.08061	12.0
117.07018	29.9
119.08591	39.0
121.06507	7.9
121.10139	41.0
123.08059	7.6
125.09658	6.6
129.06999	10.6
131.08560	41.2
133.10165	36.3
135.08052	22.1
135.11684	17.2
137.09631	13.0
141.07033	6.1
143.08548	6.1
145.10152	32.1
147.11690	20.9
149.09584	17.7
149.13255	17.2
151.02693	3.8
151.11258	3.9
153.09117	3.8
157.10100	10.9
158.73367	3.6
159.11690	30.6
161.13255	9.7
163.11179	12.7
164.93501	3.4
165.12695	4.3
169.10133	9.4
171.11694	14.6
173.11957	4.7
173.13206	23.0
177.12764	28.0
191.14299	3.8
197.13268	3.7
215.05196	4.2
239.17958	16.4
257.18991	17.3
275.20068	82.9
349.23779	24.1
367.24631	18.9
436.68982	5.4
441.28629	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01869	1.3
55.05507	5.0
57.03422	1.1
57.07080	1.6
60.91666	0.9
67.05513	5.3
68.05031	6.1
69.03430	5.6
69.07059	3.4
70.06597	18.6
71.04988	1.4
79.05499	5.4
80.05013	2.3
81.03420	3.2
81.07052	6.4
82.06575	1.5
82.67971	0.9
83.04996	2.2
83.08609	1.4
84.04494	1.5
84.08134	3.3
85.02911	1.7
85.06551	1.1
90.96771	1.4
91.05475	6.4
93.07034	7.3
94.06621	1.0
95.04967	2.9
95.08617	4.8
96.04469	1.0
96.08128	2.8
97.02908	1.3
97.06522	2.6
97.10217	0.8
97.66666	0.9
99.04460	1.3
100.07620	6.2
101.04250	3.0
103.05468	2.3
105.06373	1.3
105.07029	14.7
107.08598	6.4
108.08155	3.9
108.08763	0.8
109.02887	1.7
109.06522	3.1
109.10144	4.3
111.08092	1.3
114.05537	3.6
115.05377	1.1
117.03714	2.0
117.07022	3.2
119.08567	9.9
120.08098	2.4
121.06522	1.4
121.10144	3.2
122.09666	1.7
123.08051	3.7
125.09663	1.1
126.09167	1.3
127.03926	1.7
128.06229	1.7
128.07076	9.7
129.07004	2.9
130.06532	100.0
131.04933	2.1
131.06898	1.7
131.08531	4.6
132.08147	1.0
133.10112	5.3
134.09669	2.0
135.08054	1.1
135.11702	1.9
137.09624	14.5
142.07771	2.8
143.08565	6.4
144.09357	1.4
145.05002	0.9
145.10139	8.7
147.04457	1.3
147.08023	1.7
147.10577	0.8
147.11694	3.7
148.11224	3.4
154.08644	17.7
155.08591	2.5
155.10675	1.5
156.09308	1.3
157.06483	1.0
157.10144	6.4
157.58536	0.9
159.04442	2.0
159.07985	1.0
159.11726	2.1
160.02510	4.9
160.11220	2.3
161.09630	1.0
162.12749	1.6
163.11203	2.1
164.07060	1.0
165.09152	3.3
167.08537	1.2
168.09331	1.2
169.06354	1.1
169.10175	3.2
171.08041	0.9
171.11725	3.4
172.11224	1.8
173.11877	1.0
173.13248	2.5
174.12769	2.7
175.11169	2.5
175.14842	2.4
177.05476	2.3
179.02762	1.0
181.06630	1.2
181.10155	1.7
181.12267	0.9
182.06056	1.5
182.10895	1.0
183.11737	2.3
186.12733	1.1
192.10262	1.9
193.10138	1.4
193.15889	15.5
194.11804	7.5
195.11769	2.7
197.13248	3.3
199.07503	1.6
203.14279	1.9
207.11699	1.5
209.13208	2.2
211.14926	1.1
218.11893	1.1
219.12659	1.3
220.13269	1.6
221.13374	1.5
221.15382	8.7
223.14746	1.3
224.07091	1.4
225.07811	4.7
225.16403	1.3
230.06395	1.3
231.05011	2.2
232.13329	3.2
235.14911	1.7
247.03880	1.1
258.05902	8.2
258.08414	1.4
260.16388	0.9
272.16211	0.9
286.21570	0.9
291.21338	1.0
299.20129	5.8
304.01987	1.0
304.22794	0.9
309.22296	1.2
315.13486	1.5
325.21365	1.0
327.23145	1.0
348.21823	2.3
360.21759	1.5
378.27802	1.4
392.08173	5.1
396.28992	10.2
422.26474	1.5
423.83258	1.0
440.22998	1.4
440.27982	29.5
441.21396	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72031	1.9
53.03944	4.3
55.05502	9.4
57.07075	4.8
67.05507	11.8
67.12551	1.9
68.05033	22.4
69.03416	4.6
69.07066	7.7
69.26601	6.9
69.27029	13.1
70.06594	67.6
71.04989	2.9
79.05491	19.2
80.05008	4.4
81.07060	17.4
82.06561	6.3
83.04971	5.6
83.08614	5.1
84.04509	3.3
84.08131	8.8
85.02886	3.0
85.06532	3.6
86.09673	2.3
87.04423	3.4
91.05478	19.9
92.04993	2.3
92.39032	1.9
93.07045	19.0
94.06575	3.1
95.04978	7.8
95.08607	13.6
96.08132	14.1
97.06519	7.2
98.06033	3.9
98.20860	7.6
100.07612	18.9
105.07025	54.4
106.06561	3.6
107.08585	19.6
108.08113	19.7
109.06502	14.2
109.10149	8.7
110.09650	2.3
114.03746	2.4
114.05547	7.5
115.05446	2.7
116.07099	4.3
117.03685	2.3
117.07015	8.0
119.08582	32.6
120.08128	8.2
121.06550	4.6
121.10165	10.0
122.09645	4.8
123.08063	5.6
125.09619	2.3
126.09158	6.5
128.06212	3.7
128.07072	25.4
129.06987	6.4
130.05066	4.4
130.06520	32.4
130.07542	2.9
131.08585	18.0
132.08118	2.4
133.10144	13.0
134.09625	5.4
135.11696	4.8
136.11197	2.9
137.09625	7.2
140.07118	2.3
142.07802	9.2
143.08545	18.2
144.09300	4.3
145.10112	29.1
146.09627	4.7
147.07994	4.8
147.10596	2.2
147.11655	11.4
148.11218	7.7
149.09576	2.5
154.08635	68.3
155.08595	8.9
155.10704	4.9
156.09369	6.0
157.10129	24.5
158.09657	2.8
159.08026	4.4
159.11652	9.7
160.11243	9.0
161.09648	5.0
161.13292	3.3
162.12799	6.5
163.11206	4.9
164.07138	4.1
165.09132	13.7
167.08588	3.5
168.06583	3.2
168.10347	3.1
169.10149	10.7
170.09683	2.7
171.11676	17.4
172.11240	7.0
173.13315	4.7
174.09187	2.5
174.12820	6.0
175.11198	7.3
178.08646	5.0
179.08513	2.4
181.10106	6.9
181.12201	4.2
182.10977	5.6
183.11664	12.2
184.11075	2.5
185.09694	2.5
185.13264	4.3
186.12758	5.1
188.14352	6.0
192.10199	5.9
193.10217	7.1
194.11810	25.5
195.11720	6.7
197.13242	9.9
199.32344	2.2
203.14334	5.8
207.11655	3.3
209.13258	6.1
211.14917	2.8
215.14389	5.4
216.17334	2.2
218.11815	4.3
219.12433	3.5
220.13377	4.2
221.13342	4.4
221.15344	28.3
223.14822	5.0
232.13405	13.9
235.14842	6.3
236.12628	2.5
238.15833	2.7
246.14854	2.2
249.16417	3.1
260.16486	3.4
284.16122	2.3
291.21100	5.2
299.20093	19.1
309.22211	4.7
315.13428	5.0
327.23242	5.0
348.21533	4.7
360.21793	7.7
378.27774	4.7
396.29059	28.0
422.26862	4.4
440.27991	100.0
460.00293	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62947	0.3
55.01874	2.5
55.05513	0.5
60.50747	0.3
61.20290	0.4
67.05494	1.4
69.07069	2.6
70.06574	1.1
77.55698	0.4
77.73866	0.3
78.22437	0.4
79.05489	1.2
81.07051	1.2
83.08609	0.9
84.04491	0.8
84.08138	0.9
85.02898	0.4
86.09701	0.6
91.05448	1.2
93.07049	1.0
94.06548	0.5
95.04989	0.8
95.08606	1.1
97.06547	0.6
105.07025	1.2
107.08594	0.5
108.04469	0.6
110.72885	0.4
112.07625	0.8
119.08571	0.7
120.08112	0.6
120.83439	0.4
121.10142	0.6
122.06036	0.6
123.04488	0.6
124.07594	0.6
125.09536	0.4
128.07051	0.4
130.05000	0.9
130.06519	2.5
131.08548	0.4
134.06058	0.4
135.08087	0.4
136.07570	0.6
138.09125	0.8
140.07079	3.7
144.09470	0.4
145.10226	0.4
146.06023	0.9
147.06778	0.7
147.11678	0.5
148.07567	4.8
155.08536	0.5
160.07608	0.5
168.06564	3.2
170.09659	0.5
173.07195	0.5
174.05548	0.8
187.08682	0.6
198.09084	1.4
199.08640	3.9
200.09338	0.5
201.10306	1.0
203.09378	0.7
204.25186	0.4
210.09200	0.7
212.09386	0.7
213.10260	1.8
214.11021	0.7
215.11838	1.4
224.10754	0.5
225.10187	4.3
226.08652	1.6
227.08127	1.4
227.11847	2.6
229.09708	0.7
238.08736	0.5
239.12036	0.5
241.09750	1.2
241.13440	0.5
242.10576	0.8
243.11278	1.5
252.10222	0.9
255.11293	16.3
257.12692	0.6
269.12894	4.8
270.10950	0.5
271.14484	2.1
287.13925	1.5
297.12387	6.4
298.13074	0.7
299.13840	0.5
301.11789	2.1
303.13361	2.6
315.13382	100.0
316.13788	3.4
422.20721	1.0
440.21982	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	440.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.2
55.01865	2.9
55.05514	8.9
57.07073	4.2
57.58982	2.5
67.05498	11.0
68.05032	18.6
69.03422	4.4
69.07064	5.4
70.06594	59.1
70.76605	3.8
70.76935	3.3
71.04996	3.2
79.05491	20.9
80.05019	5.5
81.07063	20.7
82.06575	7.1
83.04963	4.4
83.08614	4.3
84.04501	2.4
84.08143	12.2
87.04482	3.3
91.05479	23.8
91.81371	2.0
93.07053	23.5
95.04961	7.4
95.08604	15.5
96.08146	13.9
97.06526	6.1
98.06073	5.0
98.21041	2.9
100.07626	24.1
103.05477	7.7
105.04615	2.2
105.07038	67.7
106.06559	3.3
107.04947	3.3
107.08597	20.8
108.08109	17.5
109.06530	9.9
109.10172	12.6
110.09661	3.6
114.05517	10.1
115.05472	7.3
116.06221	3.7
116.98579	2.7
117.07045	10.7
118.04147	3.7
118.06543	4.1
119.04935	3.6
119.08586	41.1
120.08101	7.1
121.06543	3.2
121.10137	17.0
122.09656	3.1
123.08068	6.8
125.05972	3.0
126.09158	3.4
128.06235	4.0
128.07086	30.6
129.07011	7.6
130.06532	72.0
130.07697	3.5
131.08542	19.2
132.08080	2.8
133.06505	12.1
133.10139	15.3
134.09666	4.6
135.08060	5.0
135.11726	3.2
137.09586	6.1
140.07019	3.0
141.06944	4.4
142.07788	8.6
142.08717	3.5
143.08580	20.7
145.06535	2.5
145.10120	29.2
146.03615	2.6
146.09621	5.5
147.08064	7.9
147.10588	3.1
147.11670	13.2
148.11232	8.0
149.09598	4.1
151.07565	2.7
152.10684	2.6
154.08640	71.3
155.08563	6.9
155.10677	7.8
156.09399	5.5
157.10144	26.8
159.08078	3.0
159.11760	10.1
160.11223	7.3
161.05978	20.1
161.09618	5.2
161.13295	2.3
162.12807	8.5
163.11217	3.2
164.07104	4.0
165.09145	15.4
168.09335	4.5
169.10184	7.5
170.10977	3.9
171.11687	16.1
172.11261	6.0
173.09645	3.2
173.13298	5.6
174.12801	9.7
175.11284	6.8
179.08485	2.6
181.10144	5.3
181.12273	5.1
182.10956	4.5
183.11716	9.6
186.12817	4.6
188.14404	8.5
189.05472	6.7
192.10248	6.2
193.10162	4.9
194.11853	22.1
195.11845	6.0
197.13275	9.7
199.11115	2.8
199.14737	4.2
203.14346	7.8
207.06532	52.0
207.08374	4.0
207.11748	5.0
207.13852	2.6
209.13304	6.9
211.14862	2.6
215.14302	3.3
216.10208	3.8
218.11763	5.0
219.12474	4.3
220.13132	3.0
221.13385	3.4
221.15370	37.8
223.14871	4.9
232.13292	15.1
235.14883	6.3
236.12634	2.5
258.14880	4.5
260.16440	4.4
291.21024	3.7
299.19998	23.5
306.11264	15.5
309.22076	4.8
323.07663	39.2
324.07956	2.3
325.21613	3.7
327.23212	4.8
348.21835	4.7
360.21799	7.4
378.28033	6.4
382.23962	3.3
396.29041	37.8
422.26984	5.4
440.13440	4.5
440.28012	100.0
441.28235	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	440.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06555	1.0
71.58247	1.1
79.05498	1.0
95.08578	0.9
103.05396	1.2
105.07044	1.0
109.10181	1.0
125.52602	0.8
130.06540	100.0
131.06897	1.1
133.10124	0.9
150.44467	0.9
176.69469	1.0
237.84366	1.0
240.56883	0.8
245.19943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38081	0.2
53.52281	0.2
55.05504	0.5
63.23302	0.2
67.05491	0.6
67.06972	0.2
69.03429	0.2
69.07067	0.6
70.06583	0.6
79.05482	0.6
81.03423	0.3
81.07050	0.5
83.04963	0.3
83.08614	0.3
84.04504	0.3
84.08133	0.4
85.02904	0.3
86.09691	0.4
91.05492	0.6
91.95109	0.2
93.07043	0.7
94.06538	0.3
95.05019	0.3
95.08598	0.5
97.06515	0.4
100.11279	0.6
103.05482	1.6
105.07051	0.8
107.08611	0.3
108.08109	0.7
109.10199	0.2
111.04428	0.2
119.08596	0.4
121.10122	0.4
123.11677	0.2
124.07653	0.3
130.06531	100.0
131.06902	1.2
136.11198	0.3
145.10138	0.3
146.05998	0.3
148.07533	0.3
151.03889	0.6
154.06555	0.5
166.16592	0.3
168.13815	0.4
175.11067	0.2
182.06003	0.8
182.15407	0.5
184.07462	0.3
196.13351	0.2
210.14897	0.4
216.55237	0.2
255.11310	0.6
264.19495	0.4
274.18881	0.4
278.11548	0.3
297.12241	0.3
315.13348	4.3
378.22781	0.2
396.23853	1.7
411.27930	0.2
440.17929	0.4
440.26553	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01875	0.9
59.04984	0.7
65.30772	0.4
66.04716	0.5
67.05492	0.6
69.65445	1.8
69.65868	0.7
79.05492	6.7
81.07066	0.4
82.99850	0.4
89.03913	0.6
90.04647	0.6
91.05463	1.4
95.04952	1.1
95.08604	0.6
97.06520	0.4
98.21146	1.3
99.00813	0.4
103.05474	7.1
105.07030	25.3
107.08613	0.5
109.10161	0.6
115.05460	5.2
117.05751	0.6
118.04160	8.9
118.06583	3.7
119.04933	0.5
119.08577	0.5
121.10155	0.4
121.29731	0.4
130.06534	5.8
131.04913	2.0
132.05676	0.4
133.06493	28.4
133.10086	0.5
133.54681	0.5
143.04924	3.6
146.03633	3.5
147.04422	0.6
151.07574	0.5
159.04422	1.6
161.05981	38.8
162.06433	0.6
174.03130	1.5
177.05420	0.9
189.05458	28.6
190.05832	0.4
191.17921	0.5
203.17984	0.6
207.06525	100.0
208.06931	1.5
216.26521	0.4
230.08090	1.2
256.07617	0.8
273.07947	0.6
274.08554	0.5
288.10168	1.6
305.06442	1.8
306.11234	51.5
307.11493	1.2
323.07623	1.5
324.12253	0.8
324.95755	0.4
440.13373	12.3
440.19366	0.7
440.27115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	3.4
67.24801	1.9
70.06585	3.9
70.54004	3.1
70.54370	3.5
72.08150	1.8
79.05514	4.5
81.07036	4.4
84.04508	2.0
84.08128	4.3
86.06066	4.9
91.05466	4.3
93.07028	2.3
95.04939	1.8
95.08577	1.8
96.08141	3.0
97.06564	2.8
98.20821	2.2
98.21365	2.7
101.04254	3.1
103.05466	3.9
105.07030	5.7
112.02180	1.8
115.08668	2.5
119.08588	6.1
120.08112	2.9
129.03368	53.0
130.06528	100.0
131.04958	4.0
131.54045	1.8
133.10130	2.8
137.05943	3.5
139.86571	1.7
143.08614	1.7
144.04448	23.4
145.10078	3.3
146.03661	4.0
154.08650	4.5
157.02850	67.1
159.04449	4.4
160.02475	3.7
161.06029	15.5
162.12692	2.0
165.09152	4.3
171.11662	2.1
174.03096	2.7
175.03938	16.7
177.05452	9.3
177.80435	1.9
181.06494	4.7
182.06030	7.7
189.05469	58.8
199.07545	3.3
199.87741	2.2
221.15402	7.5
224.06885	3.5
225.07884	8.0
230.06241	2.4
238.69379	1.6
246.09166	3.0
258.05872	18.0
262.08594	3.3
278.11716	3.2
284.82339	2.3
306.11209	17.2
323.07654	12.6
360.21692	2.0
392.08075	5.7
440.27835	6.0
463.36905	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20090	0.5
53.03945	1.1
55.01854	2.0
56.07158	0.5
59.84663	0.5
65.03909	0.7
67.01855	0.9
68.99786	0.7
70.06579	2.0
71.13364	0.7
71.13713	1.2
77.15383	0.5
78.70130	0.6
79.05138	0.6
79.05500	7.8
81.07035	1.3
86.09701	0.7
89.03927	0.8
91.05479	5.2
93.07012	1.0
95.04965	1.3
95.76089	0.6
100.07642	0.6
103.05461	6.4
105.07032	24.3
107.04935	0.8
107.08602	1.1
107.98196	0.5
109.06506	4.1
112.02196	0.9
115.05457	7.4
117.05776	2.7
117.07050	2.8
118.04173	8.2
118.06602	6.6
119.04944	4.8
119.08592	1.0
121.06528	0.6
121.10181	0.7
123.04392	0.6
123.08086	1.3
130.06522	7.9
131.04924	1.6
131.08545	1.1
133.05470	1.1
133.06491	21.5
133.10152	1.2
135.08040	0.9
136.05251	0.6
137.05966	2.4
143.04887	1.1
143.05949	0.7
145.06458	2.1
145.10127	1.3
146.03659	3.6
147.04422	5.0
151.07576	3.2
154.08626	1.0
159.04437	1.0
161.05983	42.9
162.02049	0.6
163.07489	0.7
164.04617	1.2
164.75157	0.6
165.05463	0.6
174.03128	1.5
174.12570	0.6
177.05573	1.0
177.07275	0.5
178.06332	0.6
179.07025	2.5
187.49088	0.6
189.05475	19.2
192.04185	1.3
207.06528	97.3
234.68073	0.6
263.57477	0.5
288.10333	0.7
306.11227	42.2
307.11588	1.0
323.07614	100.0
324.08115	1.8
324.12289	1.3
340.29898	0.6
349.60583	0.7
440.13361	13.3
440.28052	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
53.16450	2.7
55.01859	4.6
55.05513	16.1
56.05035	7.3
57.42707	2.8
63.12544	2.4
67.05500	22.4
69.03419	5.0
69.07068	12.4
70.06577	9.2
71.04990	3.4
71.58621	3.5
72.08141	5.9
79.05489	18.0
81.03423	6.7
81.07049	22.8
83.06109	33.4
83.08615	13.7
84.04507	100.0
85.02893	9.1
86.09710	14.5
91.05482	18.0
93.07059	19.2
95.04955	3.9
95.08611	16.6
97.06533	10.4
97.10175	4.5
98.20935	3.7
100.11247	6.7
101.07171	13.6
102.05533	16.1
105.07035	17.9
107.04989	6.6
107.08598	13.0
109.02861	3.2
109.06505	5.1
109.10164	7.8
111.04493	4.3
111.08076	3.0
117.07057	7.0
119.08589	16.1
120.08161	4.4
121.06496	9.3
121.10155	12.7
129.06592	52.4
130.05011	84.3
130.06477	14.8
131.08551	10.7
133.10143	15.3
135.08044	5.5
135.11726	4.9
137.09613	9.1
139.11176	3.3
143.08517	2.9
145.10121	12.5
147.06577	4.3
147.07652	44.1
147.11696	19.2
149.09599	8.0
149.13275	4.8
157.10149	3.3
159.11749	6.1
161.09592	6.2
163.11162	6.0
171.11678	4.9
173.13289	5.4
177.12756	9.0
182.15370	4.5
184.07417	3.5
187.11118	3.0
191.10464	3.6
191.14310	31.4
199.14772	3.0
203.05270	4.3
210.14912	5.9
211.62730	3.1
212.57736	2.7
221.08020	2.7
257.18991	9.4
273.14847	3.2
273.18420	3.5
275.20044	44.5
292.22607	11.7
293.12424	2.9
293.21021	2.6
302.10031	2.7
308.58569	3.1
315.13190	5.8
345.48297	2.5
376.24756	6.5
403.25854	4.9
404.24377	6.3
421.26935	3.9
439.23392	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
53.16450	2.7
55.01859	4.6
55.05513	16.1
56.05035	7.3
57.42707	2.8
63.12544	2.4
67.05500	22.4
69.03419	5.0
69.07068	12.4
70.06577	9.2
71.04990	3.4
71.58621	3.5
72.08141	5.9
79.05489	18.0
81.03423	6.7
81.07049	22.8
83.06109	33.4
83.08615	13.7
84.04507	100.0
85.02893	9.1
86.09710	14.5
91.05482	18.0
93.07059	19.2
95.04955	3.9
95.08611	16.6
97.06533	10.4
97.10175	4.5
98.20935	3.7
100.11247	6.7
101.07171	13.6
102.05533	16.1
105.07035	17.9
107.04989	6.6
107.08598	13.0
109.02861	3.2
109.06505	5.1
109.10164	7.8
111.04493	4.3
111.08076	3.0
117.07057	7.0
119.08589	16.1
120.08161	4.4
121.06496	9.3
121.10155	12.7
129.06592	52.4
130.05011	84.3
130.06477	14.8
131.08551	10.7
133.10143	15.3
135.08044	5.5
135.11726	4.9
137.09613	9.1
139.11176	3.3
143.08517	2.9
145.10121	12.5
147.06577	4.3
147.07652	44.1
147.11696	19.2
149.09599	8.0
149.13275	4.8
157.10149	3.3
159.11749	6.1
161.09592	6.2
163.11162	6.0
171.11678	4.9
173.13289	5.4
177.12756	9.0
182.15370	4.5
184.07417	3.5
187.11118	3.0
191.10464	3.6
191.14310	31.4
199.14772	3.0
203.05270	4.3
210.14912	5.9
211.62730	3.1
212.57736	2.7
221.08020	2.7
257.18991	9.4
273.14847	3.2
273.18420	3.5
275.20044	44.5
292.22607	11.7
293.12424	2.9
293.21021	2.6
302.10031	2.7
308.58569	3.1
315.13190	5.8
345.48297	2.5
376.24756	6.5
403.25854	4.9
404.24377	6.3
421.26935	3.9
439.23392	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01853	0.4
55.05505	1.8
57.03437	2.2
62.13574	0.3
67.03835	0.3
67.05495	1.7
69.07063	0.5
70.06580	1.0
71.01346	0.4
71.57748	0.4
76.45507	0.3
79.05482	2.0
81.03414	10.0
81.07056	1.5
83.04984	0.9
83.08620	2.6
84.04489	0.7
84.08104	0.4
85.02921	0.4
85.06548	3.4
86.09663	0.6
91.05463	2.0
93.07027	2.6
95.04974	3.1
95.08611	1.0
97.02908	0.3
99.31791	0.3
101.04236	1.1
105.07027	1.6
107.04958	0.6
107.08608	0.7
109.61073	0.3
111.04465	0.3
111.08063	0.8
119.03550	1.1
119.08595	1.3
120.08136	0.4
121.06500	0.3
121.10156	2.2
125.09612	0.4
129.06990	1.0
130.06509	0.4
131.08556	1.0
131.88704	0.4
133.06485	0.3
133.10106	0.7
136.06184	100.0
137.04611	1.4
137.06535	0.6
139.11166	0.5
142.07721	0.3
144.04735	0.6
147.11662	0.7
149.09592	1.3
152.05678	3.0
153.04126	0.4
157.10136	1.2
167.10695	0.5
175.11224	1.1
176.14555	0.3
193.12260	5.7
201.98318	1.4
217.97766	0.3
218.94939	1.0
219.99345	2.5
231.99371	0.6
241.14369	6.2
242.14426	0.3
246.97357	0.3
247.97072	2.4
267.16010	1.9
267.18512	0.3
280.95172	0.4
285.16956	1.8
293.97153	0.4
294.97858	0.3
295.97409	4.3
391.00662	0.3
396.87805	0.3
420.22461	4.5
438.23618	4.2
439.01709	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.143
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
55.21398	0.4
60.62640	0.4
69.59690	0.4
70.99040	1.2
74.25985	0.3
91.42706	0.4
94.92999	0.6
96.92245	0.6
98.21198	0.6
99.80143	0.4
112.89605	1.4
161.92648	0.4
197.13431	0.4
204.86517	0.5
277.08954	25.6
278.09171	0.6
295.08636	0.6
349.99490	0.4
439.14249	100.0
440.14566	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	439.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
68.31508	0.4
70.06593	2.8
70.13473	0.5
70.13809	2.0
72.08156	1.0
81.03412	1.4
81.07033	0.5
83.01110	1.0
84.04462	0.7
84.08128	1.9
86.09702	3.0
95.01080	1.5
95.32893	0.5
96.01857	0.8
98.04359	0.5
98.20873	0.6
98.21378	0.7
98.98468	0.9
110.07143	1.2
112.01337	0.7
113.02113	2.9
120.08089	0.5
129.10229	0.9
136.07558	2.0
147.04378	0.4
157.04671	0.6
157.07581	0.5
162.88155	0.5
172.08658	1.0
173.07047	0.6
185.04195	3.1
201.03781	0.9
202.06075	2.8
213.92375	0.5
216.07776	0.8
243.08676	1.5
259.08017	1.0
262.03860	0.5
265.86945	0.5
271.13678	0.5
277.06354	0.8
277.10828	0.5
282.13138	0.8
300.14227	1.1
307.36179	0.5
310.74197	0.4
312.45703	0.5
334.09323	0.5
341.12564	1.4
359.13541	0.7
396.09616	1.3
421.09116	1.4
439.10245	8.3
439.15726	100.0
440.16177	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01875	0.6
55.05513	3.3
57.03424	1.0
57.07074	1.1
65.03932	0.7
67.05514	4.0
69.03430	6.2
69.07070	3.6
69.94263	1.8
70.06580	1.4
70.22486	0.5
71.05011	1.0
71.08616	0.7
72.08168	0.8
74.06021	0.5
79.05497	6.4
81.03428	2.3
81.07058	6.0
82.06581	0.5
83.04968	2.6
83.06090	0.8
83.08630	1.1
84.04515	3.0
84.08120	1.5
85.02904	3.1
85.06538	1.2
86.09704	1.6
87.00809	1.7
87.02702	0.7
91.05490	6.5
93.07045	4.3
95.04970	3.9
95.08606	3.5
97.02900	1.3
97.06570	0.9
98.09691	2.4
100.07637	1.2
100.11256	1.9
102.05522	0.6
103.05450	1.0
105.01884	0.9
105.07020	9.6
107.04958	3.5
107.08595	18.2
108.08111	1.6
109.02889	1.1
109.06499	2.9
109.10153	7.9
110.06038	0.5
111.04436	1.6
111.08163	0.5
112.57162	0.5
115.05463	1.4
117.07003	2.6
119.06041	0.7
119.08585	4.1
121.06477	2.4
121.10144	11.4
122.07306	6.2
123.08099	1.1
123.11729	0.6
127.03923	2.9
128.07083	1.0
129.05533	0.8
129.06532	0.9
130.05013	3.1
130.06500	3.3
131.08557	3.1
133.10133	100.0
134.10460	1.7
135.08049	6.4
135.11696	1.3
137.06001	1.4
137.09618	50.6
138.10017	0.8
143.08566	2.0
145.10112	2.3
147.07748	0.7
147.11691	2.1
149.09628	5.4
149.13249	8.8
149.71030	0.5
151.11217	0.8
158.10919	1.3
159.08141	0.6
159.11661	1.0
161.09639	1.2
161.13274	0.9
163.11179	0.6
163.14828	1.5
165.54456	0.5
168.13855	1.6
170.15453	2.1
171.11752	0.9
173.09787	0.6
173.13280	5.7
175.11235	0.7
182.15424	2.3
187.11221	1.1
188.10629	0.8
189.11108	1.1
189.12755	1.3
191.14310	37.4
196.13342	1.5
198.14894	2.7
201.12729	0.8
203.14223	0.8
210.14911	1.8
213.03864	0.9
217.14363	0.6
222.15053	0.8
223.71210	0.5
228.15997	0.7
230.08228	0.6
231.04938	0.9
231.08498	0.7
244.20175	0.7
245.15436	0.7
266.21201	3.1
292.10095	0.7
293.10260	1.1
295.23883	0.9
310.23965	0.7
321.13547	1.6
321.38657	0.5
335.18256	0.9
349.12976	1.8
353.19470	0.7
364.12140	0.7
365.12405	7.1
365.16733	0.8
395.25476	3.9
421.62494	0.5
422.30069	1.4
439.15839	13.1
439.28101	3.8
439.32999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2025
Annotation	Aranochlor B
Peak:m/z	Relative Intensity
52.70119	0.5
55.01867	0.7
55.05497	1.9
67.05493	1.6
69.07047	1.3
70.41084	2.4
76.18671	0.6
77.17259	0.6
78.96755	1.0
79.05476	1.5
80.04993	1.5
81.07056	1.6
82.06588	0.6
91.05470	1.2
93.07030	0.7
94.06548	2.0
98.21124	1.4
101.04253	0.8
102.09107	0.6
105.07076	1.1
107.08601	0.9
108.08106	0.8
112.02177	2.8
114.09148	0.6
115.05432	0.8
117.08939	0.6
118.06600	0.9
119.07365	0.8
119.08590	0.8
120.08096	1.2
122.06002	1.3
124.07664	1.0
125.40350	0.6
130.03235	1.4
130.06503	4.2
131.07288	0.5
134.06003	1.5
135.08095	1.1
135.49190	0.7
136.07597	0.9
138.09145	2.6
142.28059	0.7
144.08072	1.0
146.06046	0.9
146.09647	1.8
148.07515	1.6
150.09204	0.8
152.07091	4.0
168.08011	0.6
170.08374	1.0
170.09683	1.2
171.09215	0.7
174.09149	9.1
176.07159	0.9
176.10760	0.9
178.08640	1.9
182.08208	0.6
183.09174	1.1
184.09908	1.2
185.07158	1.3
185.10785	1.9
186.07854	1.1
187.12289	1.2
188.10747	3.3
189.10162	0.9
194.08131	1.3
196.11293	1.1
197.10727	4.5
198.09404	0.6
198.11455	1.1
199.08676	4.3
199.12338	0.8
200.09393	4.2
201.10213	2.1
201.14098	1.0
203.08176	0.7
209.10733	0.8
211.08673	2.2
212.09352	1.5
213.10277	5.8
213.13805	3.0
214.10934	1.1
215.11836	4.1
216.12538	1.2
217.13330	5.2
224.10681	0.9
225.10313	1.7
226.10922	3.3
227.08215	1.4
227.11758	3.6
228.10513	0.9
229.09564	0.8
229.13351	1.2
237.10233	0.8
239.11818	1.2
241.09775	3.0
241.13379	24.9
242.10469	1.4
243.11351	4.1
243.15054	0.7
250.50912	0.7
251.11687	0.9
255.11314	4.8
263.11926	0.8
267.11102	1.0
268.14587	0.7
269.12857	55.8
270.13431	1.6
273.12247	1.0
277.13339	1.1
283.10773	2.0
285.12305	1.5
291.14908	0.8
294.15979	1.1
296.13766	1.2
301.11893	1.8
305.16486	0.8
306.12436	0.8
313.12009	1.2
319.14331	1.4
321.14700	1.1
322.15341	2.1
333.15750	1.3
336.13416	0.8
336.17062	3.0
346.15671	1.2
347.17822	0.9
350.15039	3.0
350.18875	1.3
351.15439	1.1
360.17068	1.2
364.16455	2.6
364.20477	0.9
374.18689	2.7
375.16989	1.2
377.17416	0.8
378.18149	1.6
392.19781	2.2
402.18228	6.3
410.20752	15.3
420.19217	16.1
421.17880	0.8
438.20236	100.0
439.20651	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	438.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.05511	0.9
57.03433	0.6
66.80120	0.1
67.02991	0.2
67.05495	0.9
69.03414	0.3
69.07059	0.2
69.32574	1.0
69.32997	0.5
70.06584	1.0
71.04985	0.2
72.08141	0.2
73.02905	0.2
74.04362	0.1
75.04515	0.2
79.05495	1.2
81.03417	8.8
81.07053	1.1
83.04966	0.6
83.08621	2.2
84.04491	0.3
84.08153	0.3
85.02888	0.4
86.09689	0.9
91.05494	1.5
93.07039	1.0
95.04967	2.3
95.08636	0.4
97.02875	0.4
97.06564	0.2
98.21456	0.4
105.07014	1.2
107.04945	0.9
107.08607	0.5
109.06508	0.3
110.07094	0.2
111.04443	0.2
111.08075	0.8
115.05493	0.2
117.07028	0.2
119.03584	1.0
119.08573	1.2
120.08133	0.3
121.10144	0.7
129.07031	0.9
130.05011	0.2
131.08563	1.0
133.06557	0.3
133.10153	0.5
134.09651	0.2
136.06187	100.0
136.29161	0.2
137.04604	0.9
137.05611	0.2
137.06606	0.4
147.08078	0.4
147.11690	0.8
149.09653	0.8
152.05672	0.8
157.10121	0.8
162.97365	0.2
165.12715	0.2
175.11148	1.0
193.12239	5.8
204.78413	0.2
211.13208	0.4
213.08582	0.2
241.14380	0.4
248.74409	0.2
267.15970	2.5
285.16864	1.1
297.17911	0.2
328.17841	0.2
383.48233	0.2
395.79541	0.2
420.22473	4.3
421.22659	0.3
438.23868	2.1
444.73325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.5
56.05050	12.8
57.03422	4.5
58.99592	16.7
61.01132	4.5
67.05522	3.0
68.05021	5.2
69.03436	3.2
69.93879	9.8
70.02966	11.4
72.04496	5.0
74.00668	15.4
76.02238	24.5
76.03986	5.9
79.05492	2.7
80.05003	7.5
82.06567	2.5
83.06097	6.3
84.04509	98.6
84.08138	2.6
85.01127	32.9
85.02908	4.2
85.04002	5.1
86.00655	30.4
86.99060	68.6
87.02689	3.3
88.02230	4.7
89.00578	3.2
89.57075	2.0
92.32487	2.1
95.04968	3.5
96.04462	3.6
97.01094	8.4
97.06538	26.1
98.06056	4.1
98.20856	5.3
98.21462	4.4
99.05578	2.2
100.02227	4.0
102.03763	18.2
102.05565	13.1
108.04436	6.5
109.06866	2.4
109.07625	4.6
112.02197	29.3
112.03944	3.1
113.00586	2.6
114.03756	13.9
114.05504	2.8
116.01685	28.5
118.34410	2.2
127.02100	5.1
128.05301	3.0
129.06566	5.1
130.03284	15.2
130.05016	30.8
132.01141	4.3
137.08362	2.5
142.03267	21.3
143.02763	38.5
144.01158	4.7
145.06139	4.9
149.06271	2.3
153.06590	2.4
155.08141	3.5
156.06618	4.3
158.02783	10.3
162.02193	10.4
168.04865	4.2
169.04320	8.0
170.06323	9.7
171.02281	6.5
172.08034	2.6
177.03256	7.3
179.04813	15.2
181.06117	4.2
188.03761	4.7
188.07359	4.6
189.03307	100.0
196.04306	7.3
205.06432	6.6
206.08429	5.5
215.04837	43.4
217.06480	9.2
224.03763	4.3
233.05920	13.4
241.06303	3.7
243.04427	2.8
257.09528	3.7
260.16299	3.1
269.05771	2.9
287.06915	19.1
291.10104	28.4
309.11130	3.5
331.04517	2.4
345.07355	2.9
362.10159	8.3
438.15536	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	437.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99585	12.8
66.86557	0.8
70.38589	1.0
70.38943	3.1
74.40945	1.0
76.02228	77.0
76.03994	1.3
84.04031	1.9
84.04504	23.0
86.09709	2.1
86.99036	2.1
88.02222	1.1
98.00601	0.9
103.05433	2.0
104.33617	0.9
114.03699	1.3
116.01679	18.0
127.83979	1.0
130.05119	8.2
130.06529	100.0
130.83977	0.9
131.06845	2.2
133.19711	0.9
136.06160	1.9
142.03221	7.4
144.01147	11.5
144.05232	1.1
144.36217	0.9
162.02214	33.0
170.02699	3.6
179.04852	57.7
183.69330	0.9
187.05345	1.7
188.99249	0.9
191.63164	1.0
215.04904	3.0
217.33998	1.0
233.05894	15.0
245.05881	3.7
246.33102	1.0
291.06473	2.2
308.09100	62.0
369.04639	1.1
403.04803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	10.6
70.05502	5.8
70.06576	1.4
79.05468	1.8
89.03929	11.2
91.05495	2.2
91.97599	1.4
98.20961	3.0
98.97585	2.3
103.02451	2.1
107.04971	2.1
110.97604	1.9
117.03380	9.9
119.01890	1.9
119.04956	3.8
121.26651	1.5
126.13499	1.5
128.98558	2.3
129.04843	1.5
131.01930	13.8
133.03534	2.2
135.04424	21.7
145.02835	15.6
146.99658	2.8
147.04388	9.0
149.02963	6.2
151.02715	1.6
156.98076	2.5
157.03564	2.2
161.03023	1.7
163.03911	96.3
171.01459	1.6
174.99156	11.6
175.00874	4.3
175.04456	1.9
177.00658	2.1
177.02444	2.7
185.00972	2.0
185.02997	3.3
191.02054	1.5
193.00229	14.3
193.03508	6.2
195.05078	3.9
197.81877	1.4
198.50380	1.6
203.01956	5.1
203.04022	9.6
207.01756	1.8
208.00247	1.6
209.03001	3.5
213.02472	9.7
213.04155	1.9
220.19521	1.6
221.02966	100.0
222.03233	3.8
229.01910	3.9
231.03526	15.8
239.04153	21.9
242.99864	3.0
247.04617	16.4
257.05197	13.3
265.05505	10.2
275.04330	9.2
283.06540	13.3
293.05151	2.1
301.02036	2.6
303.03598	18.2
309.04526	6.5
309.07755	1.9
311.05994	3.6
319.03076	20.3
321.04852	15.1
327.05835	2.4
337.03949	5.9
339.05725	36.2
340.05997	1.6
355.05042	7.4
357.06705	2.8
358.71048	1.7
372.97415	2.1
454.98434	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	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
55.05508	4.3
65.12117	1.6
67.05495	6.4
69.07016	1.8
69.44598	12.6
70.06556	2.1
70.08732	1.5
72.08163	1.7
79.05493	6.4
81.03415	2.5
81.07053	8.0
83.08601	2.5
83.86870	1.6
85.02895	1.8
91.05472	6.7
93.07036	6.0
93.71051	1.4
95.00582	1.7
95.01318	2.2
95.04963	3.2
95.08598	2.7
97.06514	1.7
98.21047	6.3
105.07002	4.6
107.04950	3.8
107.08612	2.3
109.02857	1.9
109.06501	2.4
109.10163	1.8
117.07006	3.5
119.08568	2.1
120.08100	3.0
121.02862	2.0
129.06966	3.5
130.06520	9.7
131.08557	3.1
133.06453	1.6
133.10117	2.9
135.04372	4.1
143.08546	2.2
145.06468	3.6
145.10155	2.0
147.04388	3.3
147.08022	2.1
149.02290	1.5
149.09688	1.7
151.03876	2.1
155.08554	2.5
157.06441	1.6
157.10146	2.5
159.04370	1.7
159.11604	1.6
163.03911	2.7
166.40598	1.5
169.10217	2.3
171.08008	2.2
173.05965	2.8
175.03987	2.3
177.05470	1.8
189.05490	2.4
190.02812	1.7
211.18744	1.7
215.10706	2.0
217.05026	2.1
221.04420	5.4
233.11726	4.2
241.12291	3.3
243.10144	1.9
251.10815	1.7
269.11694	5.9
271.13504	1.9
277.10751	2.6
287.12823	9.1
297.11014	2.7
305.13840	4.2
315.12170	14.9
333.13330	100.0
334.13611	3.8
351.14343	28.1
369.15326	2.8
372.12698	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31861	2.9
55.05502	9.9
55.80167	3.3
60.19006	3.0
67.05506	13.8
69.07059	6.9
70.06606	5.8
71.32001	7.2
79.05488	10.9
81.07070	18.9
83.08632	7.2
84.04509	5.9
91.05465	6.3
93.07068	7.5
95.08611	9.4
97.06543	4.4
98.21061	3.9
101.04237	8.7
102.37926	3.3
105.07057	6.3
106.98502	3.1
107.08616	6.4
117.06976	4.3
130.05032	3.8
130.06572	8.9
131.04979	3.2
133.10127	3.8
157.49985	4.2
165.05476	3.7
169.53252	3.5
173.06003	4.6
221.04305	3.6
233.11873	4.0
269.11746	3.3
287.13000	5.4
315.12338	13.8
329.21219	4.5
333.13309	100.0
351.14398	27.9
400.25323	6.3
418.26566	5.0
436.18622	13.1
436.25491	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2743
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.12664	4.1
52.01573	3.7
53.03933	5.2
55.01877	5.3
55.05513	21.8
55.18131	4.0
57.03432	13.3
64.13500	4.9
67.04337	4.4
67.05508	70.6
69.07061	24.6
69.51498	21.2
69.51923	11.8
71.04987	7.7
71.08631	5.0
79.05495	50.9
81.07061	72.0
83.04991	6.8
83.08609	14.1
91.05486	81.0
93.07038	60.9
95.04956	11.4
95.08617	47.4
97.06489	8.4
97.10138	7.9
98.20721	6.3
98.21293	16.1
98.98447	5.7
105.07035	63.4
107.04955	10.4
107.08601	22.7
109.06509	18.1
109.10149	18.1
117.07014	45.3
119.05014	7.7
119.08578	38.8
121.06500	15.0
121.10147	19.1
123.08021	6.1
128.06235	8.0
129.07010	37.7
131.08569	47.8
133.06450	7.1
133.10127	18.5
135.08087	9.7
135.11690	10.3
141.06978	12.6
143.08551	29.4
145.06491	9.1
145.10107	40.9
147.08012	10.7
147.11697	5.9
149.09595	9.4
149.13283	6.1
155.08583	16.0
157.06430	5.3
157.10110	20.7
159.08081	8.5
159.11688	16.3
161.09627	10.2
163.11115	7.8
164.16736	4.5
167.08585	7.6
169.10150	14.6
171.11708	21.7
173.09698	6.4
173.13271	9.5
181.10219	10.6
183.11703	14.1
185.09592	11.0
185.13286	14.5
187.11227	12.9
187.14732	5.7
189.12692	7.0
195.11736	13.3
197.13300	7.2
199.11148	25.6
199.14865	6.5
201.12767	8.3
206.05624	6.0
213.12694	8.1
223.14938	8.2
245.15486	6.9
259.17191	5.1
277.05801	4.7
278.67062	5.0
297.22110	15.6
307.20541	13.4
315.23184	27.8
325.21646	84.5
337.27469	15.0
343.22607	57.7
361.23672	18.5
417.26355	100.0
435.27234	50.4
436.27911	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.0
55.01856	7.8
55.05510	28.0
57.03419	13.1
67.05510	75.5
69.07079	27.4
71.04985	10.5
73.48369	4.1
77.22405	4.3
79.05499	70.3
81.07061	83.3
82.07391	4.9
82.28767	4.4
82.43675	4.7
83.04992	7.7
83.08602	17.9
91.05486	100.0
93.07047	76.9
95.04971	11.6
95.08607	50.2
97.06552	8.1
98.20943	27.8
98.98439	8.3
102.46204	4.5
103.05470	4.3
105.07036	85.8
107.04958	11.8
107.08591	36.3
109.06513	22.6
109.10186	10.6
111.04433	6.8
111.08057	10.4
115.05452	6.7
117.07039	44.1
119.08588	45.0
120.25040	4.6
121.06474	13.1
121.10139	23.6
128.06233	14.6
129.07034	44.4
130.06500	9.9
131.08566	73.8
133.06461	6.5
133.10139	33.7
135.08025	14.2
135.11668	13.5
141.06961	19.1
142.07755	5.4
143.08574	41.0
145.06519	7.0
145.10124	35.3
147.08109	6.6
147.11658	8.3
149.09579	10.1
149.13213	6.1
155.08553	19.7
157.10139	29.3
159.11674	23.7
161.09550	5.7
161.13342	5.6
169.10139	21.2
171.11667	19.8
173.09641	6.9
173.13263	12.4
175.11298	5.8
177.12502	5.5
181.10155	7.7
183.11684	13.3
184.04439	9.5
185.09651	5.6
185.13234	16.8
187.11140	10.4
187.14786	7.4
189.12537	4.7
191.14197	5.7
193.04851	6.2
195.11658	11.2
197.13199	14.1
199.14812	8.3
201.12744	6.8
205.12216	5.0
206.05722	7.7
206.10812	5.2
207.26225	4.1
209.13225	12.0
210.96588	5.0
211.14795	5.5
213.12764	15.0
213.16360	5.4
215.14189	7.0
227.14236	10.9
229.24940	5.1
231.13921	10.1
233.15237	6.7
245.15399	6.8
256.26242	6.8
297.22162	14.8
307.20471	14.2
315.23300	28.3
320.68100	9.9
321.17999	5.0
325.21646	58.9
337.25891	5.1
343.22699	58.0
361.23666	42.9
399.25354	5.4
417.26456	68.3
435.21869	8.4
435.27280	45.2
435.80042	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	435.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01857	0.3
55.05516	1.5
57.03429	0.7
63.34653	0.2
67.05169	0.3
67.05507	4.7
69.07072	1.6
71.04985	0.4
71.57678	0.3
71.58044	0.3
76.68679	0.2
77.03928	0.3
79.05493	4.5
81.03418	0.4
81.07059	4.7
83.04969	0.7
83.08608	1.0
85.06529	0.4
86.16539	0.2
89.98677	0.2
91.05495	4.5
92.22742	0.2
93.07049	3.9
95.04966	1.3
95.08038	0.3
95.08609	2.6
97.06528	0.8
97.10199	0.4
99.08100	0.2
103.05480	1.3
105.06375	0.3
105.07037	4.0
106.11614	0.2
107.04932	0.6
107.08606	1.6
109.06510	0.8
109.10175	0.9
111.08063	0.3
114.01952	0.2
115.05452	0.3
117.07011	2.0
119.08601	2.1
121.06482	0.6
121.10146	1.7
123.08047	0.4
125.09656	0.4
128.06314	0.3
129.06998	1.5
130.06532	100.0
131.06911	1.8
131.08551	3.0
133.10132	1.8
135.08066	0.6
135.11702	0.6
139.11127	0.3
141.06998	0.5
143.07191	0.2
143.08519	1.3
145.06476	0.3
145.10135	1.8
146.06052	0.2
147.08063	0.4
147.11646	0.5
149.09671	0.7
149.13249	0.8
155.08571	0.7
157.10135	0.8
159.11761	1.2
161.09557	0.3
163.11171	0.2
167.08539	0.5
167.10718	0.3
169.10130	0.7
171.08138	0.2
171.11699	0.7
173.09711	0.3
173.13354	0.6
183.11754	0.7
185.09612	0.2
185.13290	0.6
187.11157	0.4
189.12727	0.3
195.08009	0.2
195.11754	0.5
195.13741	0.4
197.13277	0.5
199.11339	0.2
199.14900	0.5
201.12711	0.3
203.14201	0.3
209.13326	0.3
211.14886	0.3
213.12822	0.5
219.13866	0.2
221.13257	0.3
227.14299	0.4
231.13858	0.3
233.15352	0.3
245.15250	0.3
247.17087	0.3
279.21185	0.2
297.22134	0.5
307.20605	0.5
315.23196	1.2
318.09586	0.3
325.21561	2.4
343.22635	2.3
361.23911	1.7
417.26514	1.9
435.27591	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	435.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72236	2.2
53.03942	10.2
55.01865	7.5
55.05514	34.0
55.21414	2.4
57.03445	11.5
57.07071	2.4
59.82067	2.1
65.03945	4.5
65.71956	2.1
67.05506	93.4
69.03435	2.6
69.07069	25.5
70.63280	3.1
70.63618	5.1
71.04991	6.8
79.05494	74.5
79.05955	3.7
81.03417	6.2
81.07060	78.6
83.04988	6.0
83.08632	12.8
85.06539	6.2
91.05483	100.0
93.07045	71.7
95.04973	17.7
95.08604	48.5
97.06509	11.1
97.10170	4.5
98.21085	5.6
99.08067	4.8
103.05478	6.9
105.04513	3.0
105.07034	81.4
107.04979	15.3
107.08604	32.0
109.06527	10.4
109.10144	18.7
111.08064	4.8
113.05984	2.8
115.05447	8.8
116.06252	3.5
117.07018	54.8
119.08580	42.0
121.06484	15.4
121.10136	24.2
121.63806	2.6
123.08051	9.6
125.09692	4.1
128.06245	8.7
129.07013	37.4
130.06549	26.5
130.07567	4.2
131.08560	68.8
132.50844	2.5
133.06491	6.5
133.10109	24.9
135.08064	11.0
135.11691	7.6
137.09631	6.7
141.07005	21.7
142.07831	3.3
143.08556	32.1
145.06503	6.5
145.10127	34.1
147.08058	8.1
147.11705	13.1
149.09615	15.6
151.11282	3.2
153.07024	3.3
154.07788	2.8
155.08533	17.4
156.09346	3.1
157.10124	22.6
159.08095	7.0
159.11716	28.3
161.09654	7.8
161.13260	8.0
163.11136	3.6
165.07001	3.0
167.08611	8.9
169.10120	20.6
171.08115	3.6
171.11702	20.8
173.13243	13.6
175.11151	4.3
175.14815	2.8
177.09134	4.6
177.12822	4.1
181.10153	11.8
183.11731	15.4
185.09598	9.4
185.13239	16.1
187.11197	12.2
187.14803	4.7
189.12781	5.7
195.11780	13.5
195.13361	2.6
197.13281	7.0
199.11195	19.2
199.14830	5.2
201.12753	10.0
203.14383	5.1
205.12248	5.5
207.11749	3.6
209.13222	6.4
211.14841	5.0
213.12729	9.4
221.13361	2.6
221.15346	4.4
223.14839	6.1
223.83597	2.4
225.16435	3.0
227.14346	6.8
231.13889	6.8
233.15408	4.7
245.15392	4.4
259.16949	3.2
279.21182	3.6
297.22189	14.6
299.20081	2.7
301.21857	4.1
307.20535	10.9
315.23193	29.6
316.40723	2.3
325.21609	66.0
326.22046	2.5
333.24371	2.4
343.22684	66.3
361.23788	33.7
399.25446	3.1
417.26352	28.3
435.27402	68.6
436.28021	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	435.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.1
55.01856	7.9
55.05514	33.9
57.03445	13.4
59.04993	2.1
60.54718	2.1
60.64883	2.2
62.52672	2.0
63.35835	2.8
65.03937	5.8
67.05505	82.7
69.03445	3.8
69.07066	24.4
71.04980	8.8
71.57885	4.5
73.06541	3.0
77.03910	3.0
79.05055	4.3
79.05497	76.9
81.03404	4.4
81.07056	74.9
83.04967	9.0
83.08627	18.6
85.06560	6.8
91.05482	100.0
93.07040	63.8
95.04977	14.7
95.08040	3.5
95.08610	44.6
97.06516	9.1
97.10153	3.4
99.08049	4.0
103.05459	6.8
105.04446	2.4
105.07032	82.0
107.04948	10.4
107.08599	30.5
109.06544	15.1
109.10160	17.6
111.08079	4.1
115.05483	8.0
116.06226	2.9
117.07019	41.4
119.08575	44.2
121.06528	13.8
121.10150	17.1
123.08065	7.0
123.11656	3.1
125.09563	3.6
128.06209	7.3
129.07010	36.1
130.06526	37.9
131.08577	63.9
133.06476	7.6
133.10143	28.4
135.08029	10.3
135.11693	6.7
137.09619	5.2
141.07042	11.6
142.07779	4.3
143.08534	28.4
145.06462	6.3
145.10126	33.6
147.08049	7.8
147.11693	9.6
149.09628	11.0
149.13263	3.6
151.11166	2.4
153.07013	2.6
154.07730	3.4
155.08559	15.4
157.10130	18.1
159.08029	4.8
159.11716	22.3
161.09584	7.6
161.13271	5.5
167.08548	8.7
167.10696	3.5
168.09294	3.6
169.10106	19.3
171.08051	3.7
171.11731	14.7
173.09599	6.0
173.13220	11.7
175.11137	6.3
175.14751	2.4
177.12733	4.0
181.10158	7.2
183.11734	13.1
185.09659	5.0
185.13248	12.7
187.11171	7.1
187.14833	6.1
189.12773	5.1
195.11690	6.0
197.13300	12.4
199.11182	5.0
199.14812	8.6
201.12761	8.0
203.10608	2.5
203.14319	3.0
205.12144	3.6
207.13837	4.6
209.13216	8.0
211.14815	7.8
213.12744	8.7
215.14288	5.7
219.13693	4.9
221.13248	2.3
223.14896	7.2
227.14307	6.6
231.13786	7.6
232.05859	2.5
233.15350	5.9
241.15892	3.3
245.15326	5.2
247.16920	3.3
255.17509	2.7
259.17001	3.3
259.65350	2.5
279.21030	4.3
296.72659	2.2
297.22064	9.7
301.21259	2.4
307.20490	10.1
315.23206	19.6
325.21619	42.8
326.22025	3.0
343.22699	43.7
361.23724	36.1
399.25449	4.5
417.26517	26.9
435.27634	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.6
55.01872	6.3
55.05511	30.7
57.03440	18.7
62.66565	2.7
65.03918	7.6
66.43559	3.0
67.05167	5.4
67.05507	84.4
69.03441	2.7
69.07070	28.1
70.22996	2.7
70.97430	2.6
71.04991	8.2
71.57568	5.0
78.88548	2.7
79.05051	5.8
79.05493	74.6
80.91577	3.3
81.07061	84.4
83.04984	8.6
83.08620	18.1
85.06544	4.8
91.05482	100.0
93.07049	70.1
95.04974	17.6
95.08610	44.1
97.06516	10.3
97.10186	3.8
103.05476	7.1
105.07030	75.6
107.04951	12.1
107.08606	27.3
109.06530	13.5
109.10139	9.5
111.08044	8.3
115.05482	5.8
116.06249	3.8
117.07034	54.2
119.08582	48.1
121.06491	10.7
121.10133	22.7
123.08044	3.9
123.11738	5.3
125.09711	4.1
128.06192	7.5
129.07013	41.0
130.06548	16.5
131.08585	66.1
133.06529	4.7
133.10144	28.8
135.08052	9.6
135.11693	7.5
137.09598	5.7
141.07005	12.5
142.07753	5.1
143.08568	34.5
144.09265	3.2
145.06419	4.4
145.10120	40.5
147.05475	3.4
147.08055	11.8
147.11687	11.0
149.09608	13.2
149.13280	3.9
155.08583	17.0
157.10091	18.6
159.08115	6.0
159.11662	27.1
161.09647	6.4
161.13327	6.2
163.11209	4.6
167.08591	8.9
169.10130	17.5
171.11665	16.0
173.09525	4.7
173.13242	9.2
175.11165	6.9
177.12703	3.8
181.10097	9.6
181.78180	3.2
183.11728	11.3
185.09641	5.6
185.13290	12.7
187.11263	8.1
187.14961	4.2
189.12740	5.8
195.11710	6.9
197.13277	12.4
199.11203	3.5
199.14767	7.2
201.12753	5.5
203.14413	4.1
205.12245	4.5
207.11626	5.6
209.13271	13.0
211.14926	5.1
213.12778	9.1
215.14313	4.8
217.15892	4.3
219.13835	5.4
223.14955	4.2
227.14294	9.7
231.13855	6.8
233.15392	7.9
245.15329	4.8
297.22086	13.6
298.03281	3.7
307.20526	11.2
315.23187	29.2
325.21613	51.8
343.22668	48.7
361.23749	43.3
399.25369	4.6
417.26450	21.5
435.27670	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2742
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03944	9.4
55.01883	3.1
55.05518	24.6
57.03433	16.5
65.03943	3.5
66.76039	2.6
67.05509	75.1
69.07071	21.6
69.69559	6.8
69.69971	14.3
71.04991	4.4
76.85993	2.8
79.05056	5.2
79.05497	73.3
81.03423	4.6
81.07061	73.9
83.04979	8.0
83.08618	12.8
85.06571	5.5
91.05487	80.8
93.07048	66.9
95.04974	12.1
95.08614	40.0
97.06527	6.5
97.10218	6.3
98.20888	7.9
99.08086	3.5
103.05490	4.8
105.07037	70.1
107.04974	12.0
107.08585	28.3
109.06503	7.2
109.10168	10.5
109.74970	2.9
111.08088	4.3
115.05494	3.1
117.07021	51.0
119.08582	35.2
121.06506	13.2
121.10158	19.1
123.08077	8.9
124.71474	2.8
125.09604	4.5
128.06233	8.5
129.07010	37.3
130.06534	17.1
130.07634	3.4
131.08577	62.7
133.06499	6.4
133.10130	21.2
135.08067	9.2
135.11684	8.2
141.06985	12.5
142.07726	5.0
143.08571	29.1
145.06503	8.3
145.10117	44.5
147.08067	13.5
147.11665	10.6
149.09627	13.2
149.13252	6.2
151.11275	3.0
155.08542	15.1
157.06503	4.4
157.10104	21.2
159.08086	6.6
159.11682	20.7
161.09749	6.0
161.13246	6.5
167.08572	11.4
168.09312	3.8
169.10132	19.3
171.08128	5.3
171.11710	21.8
173.09657	4.3
173.13333	8.5
175.11203	4.0
181.10150	12.1
183.11760	15.8
185.09656	11.5
185.13329	15.0
187.11217	12.7
187.14830	5.7
195.11719	9.1
197.13304	7.7
199.11180	31.1
199.14825	5.4
201.12770	7.9
203.14264	4.8
209.13310	5.3
213.12804	7.9
215.14366	3.7
221.15321	4.7
223.14912	5.1
225.12813	4.2
227.14328	6.1
231.13622	3.1
245.15411	5.6
279.20959	3.0
297.22147	20.1
301.21515	4.9
307.20605	13.5
315.23199	29.5
325.21622	94.6
343.22668	86.5
361.23724	25.8
371.25845	4.4
399.25204	7.5
417.26361	100.0
435.27454	57.9
435.38690	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	435.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03938	0.2
56.77618	0.2
64.22781	0.2
69.26679	1.6
69.27097	0.8
77.03941	0.3
81.03419	0.2
86.09693	0.2
95.04930	0.3
103.05471	1.5
103.39605	0.3
120.03968	0.2
120.08066	0.3
128.04889	0.3
130.06532	100.0
131.06873	1.7
142.06583	0.2
143.07320	2.6
144.08089	0.2
160.07547	0.4
163.03931	0.4
259.12061	0.3
287.05533	0.7
288.05807	0.7
289.06049	1.6
318.09659	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	435.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	3.3
60.05644	1.1
61.02921	1.3
67.05505	1.1
69.03435	1.8
69.07051	0.8
70.06597	12.1
71.26275	1.3
71.26634	0.8
72.08147	6.5
73.02926	1.0
73.08472	0.8
74.06069	2.3
76.02234	1.0
79.05476	1.1
81.03416	2.2
81.07056	1.5
83.06093	1.2
84.04511	3.5
84.08141	5.3
85.02917	1.9
85.04085	1.1
86.09705	5.0
91.05479	1.9
92.62428	0.8
95.06081	0.8
97.02888	2.2
98.21002	1.0
101.07132	1.1
102.05543	1.7
103.15396	0.7
105.03397	1.6
107.04919	1.1
107.08582	1.0
110.07227	1.0
111.05572	6.6
113.07128	1.8
120.04483	5.2
120.08104	1.9
121.06580	0.8
123.05533	0.9
126.06628	5.8
129.10255	3.1
130.05014	1.0
130.06580	1.9
132.04465	15.6
132.08107	3.6
134.06044	5.6
135.08061	2.2
136.07582	0.9
137.04709	1.7
137.05869	0.8
140.07056	1.0
140.08168	1.2
141.67119	0.7
143.04536	1.9
147.04428	1.4
150.05522	2.2
151.06163	6.7
153.09117	0.7
158.08315	1.3
159.09193	3.4
163.07542	1.8
165.09059	1.0
169.07640	1.0
173.13002	0.8
174.16869	0.8
179.04855	1.0
181.08621	1.9
186.04111	0.7
187.08725	2.2
202.09767	9.6
203.08147	0.8
203.10199	1.2
216.11453	1.2
230.09242	7.2
231.07677	9.0
231.09724	1.0
232.10886	3.5
233.13983	2.2
234.12215	0.9
234.77296	0.8
242.09261	2.9
249.13501	0.9
254.10159	1.7
255.12184	1.8
257.10342	3.9
259.11920	50.8
273.13455	1.1
274.11996	2.6
277.12982	32.3
284.11240	3.5
288.13443	0.9
296.11176	1.0
301.14136	4.8
302.12482	32.7
303.12778	0.9
319.15033	8.5
393.14029	14.9
435.16269	100.0
436.16367	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28545	0.1
64.26207	0.2
70.64633	0.5
77.03902	0.2
95.04959	0.3
103.05476	0.9
105.07020	0.2
124.53965	0.2
130.06528	100.0
131.06900	1.0
133.10027	0.2
144.11212	0.1
145.02827	0.2
146.05901	0.2
177.05492	0.5
260.12805	0.2
318.09744	0.4
435.15570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
53.03947	0.3
55.01879	0.2
55.05504	0.5
57.03426	0.6
62.24914	0.2
63.14920	0.1
65.03924	0.2
67.05502	1.7
69.07058	0.5
71.04983	0.2
79.05493	1.8
81.03413	0.4
81.07048	1.9
83.08607	0.3
91.05489	1.6
92.06300	0.2
93.07043	2.0
95.04962	0.5
95.08611	1.0
97.06496	0.2
103.05484	0.9
105.07042	1.3
107.08587	1.0
109.10147	0.4
117.07031	0.7
119.08636	0.8
121.10143	0.6
123.08056	0.2
128.04999	0.3
129.07007	0.4
130.06531	100.0
131.06866	1.4
131.08531	1.2
133.10094	0.4
135.08086	0.2
135.11705	0.4
141.06973	0.2
143.08557	0.3
145.10130	0.5
146.06046	0.3
147.11685	0.2
149.09679	0.2
149.13290	0.4
155.08540	0.4
157.10088	0.4
159.11691	0.5
167.10699	0.2
169.10117	0.2
171.11746	0.3
183.11668	0.4
195.11739	0.2
195.13757	0.2
213.12877	0.2
315.23294	0.4
318.09784	0.3
325.21609	0.8
343.22845	0.6
361.23587	0.4
417.26154	0.5
435.27740	1.5
445.52698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55308	0.1
53.03934	0.2
55.05497	0.1
67.05509	0.4
69.03436	0.2
69.07027	0.1
71.57800	0.2
77.03929	0.3
79.05487	0.3
81.03423	0.4
81.07054	0.5
91.05491	0.3
93.07028	0.4
95.04947	0.4
95.08601	0.3
96.47845	0.1
97.02892	0.1
97.06552	0.3
103.05467	1.3
105.07027	0.5
107.08575	0.4
109.02863	0.1
109.10165	0.3
115.05447	0.2
117.07021	0.2
119.08590	0.4
121.10196	0.2
128.05016	0.2
130.06531	100.0
131.06891	1.1
133.10098	0.2
142.06526	0.3
143.07304	2.8
144.08064	0.3
146.05988	0.3
149.69061	0.1
160.07599	0.4
163.07520	0.1
172.07552	0.1
257.10760	0.2
259.12231	0.5
260.00507	0.2
260.12585	0.4
303.94827	0.1
318.09695	3.3
411.01135	0.1
435.14777	0.2
436.18576	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	435.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29789	0.4
51.87082	0.5
56.84231	0.5
62.02507	0.5
68.63223	0.5
69.75098	2.9
85.02914	0.6
87.61008	0.4
93.21439	0.5
116.55797	0.4
127.03888	0.8
130.06537	0.7
167.03200	0.8
186.06544	1.2
187.07314	0.9
190.65358	0.5
208.05710	0.6
208.60173	0.5
213.06906	0.6
221.49265	0.5
227.05206	2.2
230.05663	0.5
269.34531	0.5
271.04208	3.7
329.45596	0.5
334.09033	0.8
349.12540	4.7
373.12619	1.2
391.13614	41.4
392.14001	1.6
435.12613	100.0
436.12808	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	435.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.2
53.03953	0.1
71.11693	0.3
77.03896	0.1
95.04954	0.1
98.21397	0.1
103.05467	0.7
128.04939	0.1
130.06531	100.0
131.06874	1.7
143.07314	0.7
198.37178	0.1
234.86072	0.1
259.12305	0.2
288.61917	0.1
306.09705	2.0
318.09747	0.9
439.95090	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	435.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04493	0.6
60.81070	0.6
65.57656	0.7
67.67223	0.5
69.95712	3.2
69.95989	0.6
94.93035	1.7
119.01921	0.8
127.00011	0.8
133.03445	0.7
139.91481	0.6
143.01976	1.2
145.84715	0.6
147.04523	0.6
153.57596	0.6
161.03069	0.9
169.01111	0.7
181.01120	1.0
212.02922	2.8
213.03729	1.6
229.03215	19.5
230.03673	0.6
232.92296	1.9
237.63120	0.7
248.89653	1.2
259.11963	0.7
285.05832	2.9
315.03287	1.2
327.08224	0.6
343.02542	0.7
375.05374	15.2
376.05597	0.9
417.06494	2.2
428.13641	0.7
435.07498	100.0
436.07721	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	435.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81736	0.6
55.62840	0.6
71.25275	0.7
71.25616	1.0
78.95628	0.7
91.03355	0.6
93.32462	0.6
94.93032	1.2
96.48097	0.6
105.55244	0.6
127.00076	0.6
131.13945	0.6
148.52399	0.6
161.02951	0.9
169.01144	0.9
181.01003	0.7
212.02960	2.1
213.03789	1.8
220.45717	0.7
225.03683	1.6
229.03217	19.2
229.05359	1.3
232.92268	1.8
285.05756	2.9
315.03040	1.0
343.02670	0.8
345.04541	1.1
375.05334	17.0
417.06558	2.7
435.07474	100.0
436.07910	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0924
Annotation	3,5,7,3',4'-Pentahydroxyflavone 3-beta-L-arabinofuranoside
Peak:m/z	Relative Intensity
50.98602	0.2
55.01871	1.3
56.05013	0.4
57.03415	0.6
61.02925	1.5
65.03928	0.4
65.38191	0.2
68.99780	0.9
69.03429	0.5
70.06586	2.0
71.01344	0.5
72.08118	0.7
72.62879	0.2
73.02919	9.2
79.05473	0.3
79.85894	0.2
81.03392	0.5
84.04480	0.6
84.08102	0.7
85.02872	0.8
86.09693	1.1
87.04431	0.3
87.51752	0.2
93.03359	0.3
95.04927	0.5
97.02879	0.5
98.06065	0.2
102.03780	0.3
107.04945	0.3
109.02866	0.6
111.00780	0.9
111.04471	0.2
115.03902	0.6
116.07078	0.3
120.08143	1.0
121.02872	1.5
123.04405	0.6
127.03876	0.3
131.04970	0.3
135.04427	0.4
137.02342	8.7
137.03362	0.4
141.06973	0.2
147.04456	0.4
149.02322	0.6
153.01833	5.2
155.04951	0.4
158.84972	0.2
159.04341	0.2
161.02339	0.3
161.06007	0.4
163.03912	1.7
165.01845	2.9
166.02553	0.3
173.05965	0.8
175.03853	0.2
177.01831	0.3
179.03381	0.5
183.02869	1.3
183.04309	0.4
187.03912	0.5
189.01759	0.3
189.05499	0.3
191.03363	0.5
195.02884	0.9
197.05969	0.4
201.05481	2.1
203.03287	0.6
205.04961	0.3
207.02896	0.5
213.05537	0.3
215.03343	0.5
217.04848	0.4
219.06528	0.6
225.05405	0.3
228.04198	0.4
229.04973	4.1
231.02834	0.3
239.06837	0.2
241.05046	0.4
245.04407	0.7
247.06044	0.8
249.03911	0.3
255.12350	0.3
257.04495	3.4
259.06070	0.2
267.06607	0.2
269.09128	0.3
271.06009	0.5
273.07486	0.2
274.04593	1.0
285.04010	1.4
287.05563	1.7
288.05844	1.5
289.06033	2.7
299.05426	1.2
301.03555	0.4
302.04233	1.3
303.04993	100.0
304.05368	2.2
311.05420	0.5
313.07056	0.4
315.04984	14.7
315.66248	0.2
316.05734	1.8
317.06647	0.3
325.06912	0.3
327.05023	3.8
329.06537	2.3
339.05078	1.0
341.06592	1.9
343.04382	0.3
343.08249	0.5
345.06039	9.1
353.06552	2.0
357.06046	1.6
358.11212	0.2
369.06079	6.4
375.07132	0.9
381.06036	2.4
399.07120	10.4
400.07693	0.3
417.08206	7.1
417.16479	0.3
435.09256	10.6
435.27481	0.6
436.09503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
56.05030	2.3
57.03439	14.5
70.06597	10.7
70.49817	6.6
72.08151	5.2
75.04480	5.1
84.04494	4.2
84.08141	10.8
85.02895	12.9
86.09695	8.5
87.10061	2.5
91.05472	9.2
93.07082	2.6
95.05002	2.6
97.02887	3.1
103.05480	28.6
110.03703	4.5
110.07153	7.6
119.04962	11.1
120.08128	4.3
121.06508	7.1
123.04419	9.4
124.05192	4.0
129.10243	3.5
131.04941	100.0
133.06442	2.2
137.05962	18.8
138.06793	11.2
147.04456	4.7
148.05176	12.4
151.07552	5.6
161.06071	4.1
163.07545	68.4
166.06253	16.5
175.03821	3.6
175.07541	2.6
179.07059	4.1
179.60957	1.9
181.08609	24.8
198.72382	1.9
201.09163	2.4
207.06506	6.5
237.11240	15.2
255.12277	52.4
270.92068	2.1
416.11569	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	433.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03738	4.3
55.05517	37.1
57.07057	4.9
59.05003	63.1
67.05501	16.0
69.03428	4.8
69.07063	9.5
79.05492	19.5
81.07052	16.7
83.05044	4.7
83.08652	5.6
85.06548	100.0
91.05492	40.3
92.58185	4.6
93.07065	26.5
95.04977	5.1
95.08628	28.0
98.20912	20.4
105.07031	39.5
107.08592	25.0
109.06529	10.2
109.10153	18.1
111.08097	15.1
113.00011	17.0
117.07014	16.4
119.08591	66.9
120.97923	4.6
121.10180	29.1
125.09628	23.7
129.07018	12.9
131.08566	23.9
133.10136	18.2
135.08069	5.5
135.11659	13.6
137.09615	28.5
141.09164	4.9
142.07782	8.0
143.08585	23.2
144.09309	5.2
145.10129	30.6
147.08096	9.4
147.11697	11.3
149.09647	7.9
151.11203	38.1
155.08563	11.8
156.09361	11.2
157.10162	25.6
159.11754	10.0
163.11198	7.4
169.02603	21.4
169.10121	13.0
170.64923	4.8
171.11690	15.1
173.13260	8.8
175.11111	6.1
179.08563	6.9
180.09375	5.2
181.10162	11.5
183.11708	12.7
185.13235	9.3
189.12685	5.2
192.09407	4.9
193.10132	6.6
195.11742	11.8
197.13287	6.3
199.14789	5.2
207.11716	5.9
209.13229	13.2
221.13261	5.9
223.14723	6.6
235.14827	7.1
246.61778	4.6
249.66414	4.8
287.05582	12.1
326.87018	5.0
433.30490	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	434.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
67.05511	1.2
69.25377	7.4
79.05503	1.5
81.03422	0.9
81.07052	2.3
84.08126	0.8
86.09691	1.2
91.05473	2.4
93.07041	1.1
95.04973	0.8
95.08621	1.6
99.10661	0.8
105.07027	1.6
105.76997	0.9
117.05772	1.1
119.08522	0.9
121.10176	1.0
124.77699	0.8
129.07042	1.0
130.06531	35.5
130.07494	1.9
131.08606	1.3
143.07368	1.2
143.08612	0.8
159.11736	0.8
166.05034	0.9
171.11716	0.9
193.88249	0.9
197.07117	2.2
198.07884	3.3
201.90536	0.8
210.07816	1.3
211.08623	8.3
212.09427	3.4
213.10251	1.0
225.10220	9.0
226.13199	1.3
227.08199	1.4
227.11864	2.6
239.08167	6.2
240.08937	18.1
240.11258	1.5
253.09755	10.6
254.10332	1.1
255.11317	0.9
258.11118	2.5
259.12180	1.2
261.12366	10.1
271.10843	1.2
273.12369	4.3
281.09201	7.0
287.05688	1.5
287.10211	1.1
288.05838	3.8
299.10272	100.0
300.10593	2.5
314.21927	1.0
317.11304	2.6
318.09540	1.5
324.20230	1.6
342.21750	1.9
388.25040	0.8
390.18115	8.7
398.15103	1.2
416.16031	59.8
416.25095	2.6
417.16101	1.1
419.25293	1.0
424.28244	0.8
434.16858	2.6
434.26297	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	433.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	4.5
53.03940	8.2
55.01862	11.9
55.05508	29.1
57.03418	12.1
61.02935	5.7
65.03927	7.2
67.05509	64.0
68.67784	4.2
69.07069	28.6
71.04984	6.3
71.57601	8.7
79.05501	65.7
81.03407	7.0
81.07062	60.8
83.04977	8.8
83.08632	17.7
91.05482	83.0
93.07043	44.5
95.04971	16.5
95.08622	33.8
96.01906	4.3
97.06520	8.4
97.10159	6.5
100.23889	4.9
105.04514	4.2
105.07034	58.8
107.04971	17.4
107.08595	30.5
109.06496	12.7
109.10141	16.7
115.05495	6.2
117.07009	37.5
119.04941	5.6
119.08578	29.7
121.02889	5.9
121.06509	16.6
121.10143	10.7
123.08075	14.2
125.09634	7.2
126.15524	4.5
128.06258	7.4
129.07025	43.4
131.04962	9.7
131.08583	43.7
133.06476	11.6
133.10115	21.8
135.08047	13.5
141.06989	19.2
142.07762	8.7
143.08601	30.4
143.09515	5.3
145.06487	13.9
145.10197	23.0
147.08087	15.9
147.11684	9.6
149.09650	11.6
154.07858	6.3
155.08466	27.7
157.10146	14.4
159.08044	9.1
159.11700	13.0
161.09665	8.3
167.08572	10.0
169.10141	14.0
171.11739	18.0
173.09560	9.4
173.13365	6.0
175.11203	6.1
181.10158	11.5
183.11752	19.1
185.09644	9.9
185.13210	7.5
187.11153	14.7
189.11249	9.6
189.12801	9.5
195.11658	7.7
197.09683	7.0
197.13330	9.5
199.11273	16.1
201.12723	6.0
207.11571	6.7
211.11206	12.0
213.12740	6.4
215.10757	6.2
215.14392	8.1
225.12741	7.1
229.12398	8.0
287.05493	93.0
295.20456	9.3
302.42960	4.9
305.19061	8.3
313.21762	23.6
313.24960	4.5
323.20071	35.8
341.21078	93.7
359.22043	25.3
372.92810	5.5
415.24783	44.0
433.25912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86847	3.9
53.03927	7.5
55.01857	8.2
55.05514	23.5
57.03422	10.1
65.03925	4.7
67.05505	51.5
69.07054	14.1
70.06586	4.7
70.17558	16.5
71.04993	5.1
79.05491	51.8
81.03393	4.9
81.07050	41.5
83.04957	5.1
83.08607	9.4
87.31908	3.6
91.05473	83.3
93.07052	34.1
94.89565	4.2
95.04969	11.8
95.08604	27.5
97.06490	7.4
97.10129	7.5
98.21101	10.4
103.05434	4.6
103.36088	3.7
105.07017	49.7
107.05010	5.0
107.08559	12.1
109.06489	4.6
109.10160	11.7
111.08100	6.4
115.05482	6.1
117.07011	54.4
119.08580	42.1
121.06482	9.5
121.10174	20.3
123.08045	7.0
128.06209	11.9
129.07004	56.2
131.08563	58.0
133.06464	6.0
133.10112	17.8
135.08022	10.7
135.11726	5.2
136.70049	3.7
137.09605	10.6
141.06989	21.8
142.07748	8.1
143.08553	35.4
145.06444	13.9
145.10098	34.2
147.08051	9.6
147.11658	10.0
149.09599	13.5
153.01810	5.8
153.06911	6.1
154.07855	5.9
155.08527	24.6
157.06554	5.8
157.10092	24.7
159.08015	10.2
159.11658	25.6
161.09633	5.8
165.01654	5.7
165.07101	3.8
167.08530	11.6
169.10146	26.4
171.08028	5.4
171.11658	24.7
173.09586	5.3
173.13205	9.9
175.11127	10.4
177.09061	7.6
177.12683	4.4
180.09274	5.5
181.10069	12.7
183.11652	30.0
185.09605	13.3
185.13187	17.3
187.11143	22.0
193.10052	9.3
195.11691	15.1
197.13246	12.6
199.11105	5.9
201.12769	6.0
207.11711	7.1
209.13255	7.3
211.11157	7.9
213.12749	8.1
215.10648	6.1
221.13379	6.9
225.12759	4.2
229.12143	5.2
257.10718	4.7
277.19604	8.6
287.05524	100.0
287.17963	6.1
295.20679	22.6
305.19064	8.2
313.21622	41.5
315.23276	4.9
323.20099	34.3
341.21048	33.9
359.22110	11.3
415.24747	64.0
428.14569	3.8
433.25870	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.01884	1.8
55.05501	5.4
55.21600	1.4
57.03427	6.6
57.07083	2.9
65.03931	2.6
67.05171	2.4
67.05513	40.3
69.07080	9.4
70.03496	2.6
70.03912	5.3
71.04929	1.6
75.04475	3.3
79.05063	1.8
79.05502	32.1
81.07065	47.3
83.08613	4.9
85.06505	2.0
91.05495	15.7
93.07056	34.2
95.04976	3.4
95.08049	2.1
95.08618	35.0
98.21140	3.8
98.98478	100.0
105.07036	14.4
107.08597	25.7
109.06510	2.0
109.10172	15.2
117.06989	6.1
119.08591	14.1
121.10153	19.9
123.11707	6.4
131.08577	8.7
133.10143	11.2
135.11697	17.0
137.09630	2.3
137.13213	3.5
145.10146	11.0
147.11719	7.5
149.13280	12.2
151.14867	2.2
155.01045	17.6
159.11703	7.3
161.13269	5.4
163.14807	8.8
173.02147	12.7
173.13300	9.2
175.14734	3.7
177.16364	2.2
187.14871	4.9
233.22664	2.0
243.21059	17.4
261.22171	59.4
287.05469	15.0
317.24707	6.5
335.25809	40.1
341.21121	2.1
415.22366	5.8
433.20273	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	433.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.7
55.01857	10.1
55.05506	34.1
56.53120	3.5
57.03425	11.1
57.58583	3.4
60.66883	3.4
65.03943	5.4
67.05506	59.0
69.07058	31.7
69.55748	24.5
71.04974	7.8
79.05067	4.3
79.05497	69.4
81.03425	7.1
81.07052	79.9
83.04962	10.5
83.08623	21.1
85.06544	4.5
91.05478	88.6
93.07044	52.1
95.04948	15.5
95.08619	30.8
97.06499	11.2
97.10146	4.8
98.21254	13.1
99.08102	3.4
100.23307	3.8
103.05460	9.5
105.07033	66.4
107.04968	19.5
107.08590	23.8
109.06509	8.6
109.10138	10.1
111.08073	7.7
115.05410	10.5
117.07021	52.0
117.38181	3.5
119.04920	6.4
119.08579	38.4
121.06526	17.8
121.10128	15.7
123.08038	8.3
125.09625	4.5
128.06212	16.9
129.05542	3.9
129.06999	75.9
131.04915	4.6
131.08565	69.7
133.06465	16.2
133.10114	14.0
135.08032	20.2
135.11662	4.9
141.07004	31.8
142.07768	8.3
143.08562	43.9
145.06465	17.8
145.10127	25.6
147.08028	14.9
147.11678	4.3
149.09628	26.2
153.01830	5.7
154.07835	4.0
155.08597	37.6
157.06430	6.2
157.10155	28.6
159.08011	10.7
159.11627	13.3
161.09619	6.3
165.06990	6.8
167.08556	23.3
169.10124	30.0
171.08084	6.5
171.10361	3.7
171.11674	22.7
173.09624	7.5
173.13245	8.5
175.09560	4.5
175.11122	5.6
175.14844	5.5
178.07806	5.2
179.08565	9.1
181.10103	14.1
183.11630	21.3
185.09647	12.6
185.13148	17.1
187.11125	9.2
187.14848	4.6
189.12723	5.2
193.10107	13.8
195.11746	17.9
197.09563	4.9
197.13252	15.2
199.11147	6.0
199.14763	4.3
201.12753	10.1
203.14351	6.1
207.11661	16.2
209.13240	9.9
211.11159	12.5
211.14883	8.5
213.12709	13.9
215.14337	16.6
219.11716	5.7
219.13756	6.3
221.13249	13.5
225.12674	18.4
227.14336	7.4
229.12262	7.5
235.14775	4.8
239.14304	12.5
243.13734	8.5
247.13145	5.7
257.10663	6.3
257.15277	9.5
259.12296	7.7
277.19385	7.5
287.05487	100.0
287.17929	9.6
295.20609	19.5
305.19031	20.7
313.21585	18.4
323.20084	71.1
331.22684	4.2
332.76212	3.9
341.21051	49.2
359.22089	7.4
363.61288	3.8
384.50653	4.2
397.23584	4.8
415.24814	64.6
433.14682	9.2
433.25778	79.7
438.63528	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	433.1131
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
52.43453	0.1
68.99793	0.4
71.04983	0.3
73.40060	0.1
73.92104	0.1
79.05493	0.3
81.03428	0.1
84.08187	0.1
85.02907	0.4
89.64259	0.1
100.74957	0.1
103.05473	0.1
105.03401	0.4
107.04937	0.5
109.02863	0.2
111.00819	0.9
111.04431	0.1
121.02866	3.0
130.06505	0.1
133.02850	0.7
135.04404	0.2
137.02353	0.8
145.06458	0.3
147.04440	0.7
153.01830	4.6
157.06490	0.5
161.05949	0.2
165.01828	1.9
171.04381	0.4
175.07487	0.1
183.02881	1.0
185.05942	0.5
189.05379	0.2
193.36563	0.1
197.06006	0.2
199.03960	0.1
213.05460	1.7
229.05061	0.1
231.06499	0.9
241.04976	1.1
244.88574	0.1
257.10818	0.1
258.05222	1.4
259.06009	0.5
269.04410	0.3
287.05493	100.0
288.05774	1.9
290.72672	0.1
312.86090	0.1
332.11127	0.1
433.11179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99583	1.7
61.02924	0.8
67.05510	4.2
69.03425	1.6
70.06586	1.4
70.39359	2.2
71.51070	0.6
72.08151	1.1
76.76820	0.6
84.04516	1.2
85.02882	3.2
86.09698	1.9
86.99050	1.6
94.06549	2.4
95.01329	0.7
97.02870	1.0
98.21254	1.5
98.98475	1.2
105.00107	0.7
110.07124	1.3
119.46152	0.7
121.07614	1.9
122.02751	1.1
122.06024	7.6
124.07640	1.2
127.03952	1.1
134.06018	12.7
136.06160	0.7
136.07613	0.9
140.07054	2.2
145.05016	0.8
147.04402	1.9
149.05966	1.1
149.07108	15.4
150.05505	100.0
151.05846	0.7
152.07072	29.0
162.07854	1.0
163.08650	2.0
166.07405	1.0
168.06512	1.1
175.08624	3.3
176.09457	7.0
187.19182	0.6
219.07683	6.4
220.08418	1.3
227.08484	5.3
237.08595	3.3
253.06390	5.6
271.07480	49.9
284.08157	1.0
306.19348	0.8
331.60632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.1
64.47205	0.1
65.03924	0.1
67.01859	0.1
68.37400	0.1
68.99784	0.6
70.98243	0.2
71.04998	0.4
79.05472	0.2
81.03414	0.1
85.02902	0.4
95.04961	0.2
105.03384	0.4
107.04955	0.5
109.02878	0.3
111.00801	0.9
111.04456	0.2
113.41610	0.1
117.25550	0.1
121.02863	3.1
129.03830	0.1
129.05452	0.1
129.06982	0.2
133.02841	0.5
135.04404	0.2
137.02332	0.8
141.07002	0.1
145.06445	0.3
147.04414	0.6
153.01823	4.7
157.06493	0.4
159.00862	0.1
161.02287	0.1
161.06000	0.2
165.01823	2.3
169.06450	0.2
171.04411	0.3
183.02879	1.0
185.05937	0.6
189.05455	0.2
197.06012	0.1
201.05476	0.1
203.03346	0.1
203.07068	0.2
213.05443	1.6
231.06477	0.8
241.04919	0.9
243.06378	0.1
245.04503	0.1
258.05258	1.2
259.06024	0.5
269.04501	0.2
287.05478	100.0
288.05817	1.5
402.37860	0.1
433.11191	0.2
441.13586	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	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
54.18588	0.1
68.99782	0.6
70.71422	0.3
71.04978	0.4
85.02898	0.5
95.04956	0.1
105.03397	0.4
105.15823	0.1
107.04948	0.3
109.02857	0.3
111.00803	0.6
111.04436	0.2
121.02875	2.9
133.02855	0.5
135.04446	0.2
137.02339	0.9
141.07054	0.1
145.06506	0.2
147.04407	0.8
148.28424	0.1
153.01831	4.3
157.06514	0.4
161.05988	0.3
165.01828	1.7
171.04503	0.2
183.02928	1.0
185.05948	0.6
198.22357	0.1
198.50600	0.1
203.07016	0.1
213.05449	1.8
231.06627	0.7
241.04955	0.9
258.05304	1.2
259.05969	0.4
269.04440	0.3
287.05493	100.0
288.05862	2.1
350.16299	0.1
433.11362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.09195	0.1
63.53054	0.1
65.03944	0.1
68.99809	0.6
69.03426	0.1
70.98683	0.3
71.04981	0.3
79.05489	0.2
80.15068	0.1
85.02893	0.5
87.06579	0.1
98.21053	0.1
99.35489	0.1
100.67402	0.1
105.03387	0.5
107.04937	0.3
109.02877	0.2
111.00803	0.8
111.04431	0.2
121.02872	3.0
129.07004	0.2
129.15411	0.1
133.02855	0.5
137.02348	1.0
145.06476	0.2
147.04431	0.7
153.01837	4.4
157.06493	0.6
165.01852	2.2
171.04381	0.3
183.02928	1.2
185.05974	0.7
189.05486	0.2
197.06046	0.1
213.05473	1.6
229.05051	0.1
231.06519	0.7
241.04939	1.1
258.05286	1.3
259.06076	0.4
269.04446	0.2
287.05502	100.0
288.05814	2.5
359.26419	0.1
433.11435	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
52.38190	0.1
68.99791	0.9
69.03419	0.4
69.93342	0.7
70.06602	0.8
71.04984	0.4
72.08158	0.2
79.05484	0.3
81.03426	0.2
84.08135	0.3
85.02894	0.4
86.09703	0.3
91.05474	0.2
95.04964	0.2
97.02904	0.1
98.20811	0.2
98.21360	0.3
102.40879	0.1
105.03377	0.3
107.04942	0.4
109.02872	0.4
111.00787	0.8
111.04421	0.2
120.08070	0.2
121.01989	0.2
121.02867	3.6
127.08686	0.2
128.98462	0.1
130.06558	0.2
133.02843	0.6
135.04385	0.2
137.02354	1.0
137.15657	0.1
145.06363	0.2
147.04404	0.7
153.01828	4.6
155.08180	0.2
157.06474	0.5
161.05991	0.2
165.01843	2.2
171.04382	0.3
173.05884	0.2
175.07504	0.1
183.02859	1.2
185.06035	0.6
189.05473	0.3
197.05936	0.3
201.05675	0.2
203.03575	0.1
203.07047	0.3
213.05470	1.6
215.06998	0.2
216.04318	0.2
229.05142	0.2
231.06480	0.8
238.42226	0.2
241.04910	1.1
258.05283	1.6
259.06006	0.7
263.05478	0.2
269.04581	0.3
272.06882	0.2
283.06085	0.2
287.05487	100.0
288.05780	2.1
299.05573	0.9
299.08517	0.2
300.06177	0.3
311.05649	0.2
313.07108	0.3
325.07364	0.2
329.06604	1.4
353.06519	0.5
379.08057	0.2
397.09149	1.5
415.10330	1.0
433.11099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21832	0.4
55.01872	2.1
56.50013	0.4
67.05454	0.5
69.07067	6.0
69.95918	1.0
69.96340	0.8
70.06548	1.4
79.05390	0.4
79.56207	0.4
81.06299	0.4
91.05460	0.7
94.06519	0.9
95.04957	0.7
97.06494	0.9
98.21077	1.1
102.97247	0.4
102.99435	0.4
106.06538	0.4
109.11398	0.4
112.07561	1.4
117.05736	0.5
118.06543	9.4
120.04432	0.5
120.08097	1.1
122.05978	0.7
130.06526	18.3
131.06992	0.4
140.06081	0.6
140.07066	7.8
144.04411	1.2
146.06004	2.1
147.06793	2.6
148.07562	19.0
150.05443	0.5
160.07553	0.9
164.07022	0.5
168.06563	6.9
168.07976	0.7
169.08875	0.4
170.09589	0.6
172.07571	0.5
173.07083	2.8
174.05513	1.9
174.09152	0.7
175.08682	0.6
175.94038	0.5
182.09656	0.8
184.07411	0.5
184.11194	0.5
187.08545	0.5
188.07027	0.5
190.08575	0.5
196.07594	0.5
197.08418	0.4
197.10718	0.9
198.09248	2.6
199.08640	6.9
202.08644	0.8
203.09331	0.6
208.11322	0.5
209.10719	1.1
210.09178	1.2
211.08665	1.8
212.09238	2.1
213.05458	0.4
213.10208	4.7
214.10873	1.4
215.11774	1.5
223.12271	1.9
224.10693	1.3
225.10188	5.7
225.13788	0.7
225.83665	0.4
226.08595	1.6
226.10695	1.0
227.08156	10.5
227.11705	5.1
227.19676	0.4
228.08595	0.7
237.10133	1.8
238.08562	0.5
240.08957	1.0
241.09718	6.5
241.13382	1.5
242.10335	4.0
243.11287	2.8
251.11801	2.2
252.10143	2.1
252.12508	0.7
253.09770	1.1
253.13284	0.7
254.10677	0.8
255.11285	20.5
256.11563	1.0
257.10574	0.9
263.12015	0.4
264.08884	0.7
269.12851	8.4
275.13876	0.9
279.11267	3.1
287.05508	1.2
287.13831	1.5
297.12320	15.9
298.10513	0.6
301.19901	0.5
303.13437	2.2
315.13361	66.3
316.13608	1.3
380.93219	0.4
414.18442	0.7
432.19165	100.0
433.19354	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	432.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38327	0.2
55.01879	1.2
56.96544	0.3
62.38602	0.2
67.03062	0.2
67.05501	0.2
68.99765	0.4
70.06548	0.3
71.58553	0.3
72.68987	0.2
79.01836	0.3
79.05447	0.2
81.03381	0.3
81.07031	0.5
84.08096	0.3
91.05429	0.5
93.03361	0.4
93.07024	0.4
95.04910	0.3
95.08547	0.2
97.02831	0.4
97.06485	0.3
100.11218	0.3
103.05449	0.2
105.07004	0.3
107.01301	1.5
111.00772	0.2
115.05484	0.5
117.06969	0.4
118.06498	0.2
121.02825	0.6
122.52555	0.2
123.04431	0.3
127.03925	0.3
129.06985	0.3
130.06480	0.8
131.04901	0.6
137.02341	8.9
137.03351	0.3
139.05388	0.4
143.04893	0.5
147.04381	0.3
148.07549	0.4
149.02277	0.7
152.05675	0.3
155.04948	0.4
157.06509	0.4
160.88190	0.2
161.05936	0.8
163.03851	0.5
165.01807	0.9
171.04402	0.9
183.02837	0.6
185.05956	0.5
187.03876	0.2
189.05467	5.4
199.03859	0.7
213.05473	0.8
217.04956	1.7
227.03398	0.6
241.05064	0.5
245.04453	6.6
255.11209	0.3
259.06171	0.4
269.04523	0.9
269.13034	0.2
269.83710	0.2
273.03992	0.3
287.05463	2.6
297.03955	0.3
297.12311	0.4
315.04980	100.0
316.05350	2.2
394.58688	0.2
432.10788	8.7
432.19296	1.8
432.24121	0.3
433.11047	0.4
451.75504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.25
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.3
58.05954	0.4
68.77972	0.4
69.58994	0.4
69.65818	0.5
69.96436	2.5
70.06590	2.8
70.50481	0.5
71.06908	0.7
72.07796	0.7
72.08157	7.7
76.04001	6.8
77.34961	0.4
81.11098	0.5
84.04505	19.8
84.08144	1.2
86.09709	100.0
87.09579	0.5
87.10014	2.4
98.21041	1.0
102.05542	4.3
116.07076	2.5
116.39683	0.5
117.06726	0.6
127.05038	2.0
127.78732	0.5
128.05402	0.7
129.10281	0.6
130.05034	0.9
139.05023	0.8
140.05359	0.5
143.11798	0.7
159.96744	0.5
170.11752	0.7
184.07169	1.1
187.07149	32.2
188.07442	0.6
189.12363	0.9
197.13000	0.5
199.18065	26.8
203.08459	0.6
205.08200	10.9
205.09985	0.7
215.13950	3.2
227.17555	17.4
235.97777	0.9
243.13339	4.5
287.17093	0.6
288.17386	2.6
316.16833	1.0
318.16565	3.0
328.22525	0.8
356.17917	0.5
356.21732	2.9
431.25055	0.8
454.39304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56901	2.8
52.68167	2.9
53.03948	6.9
54.58069	2.9
55.01855	9.8
55.05521	16.4
55.18747	2.9
55.56086	3.5
57.03431	9.0
64.72617	2.8
65.03927	5.6
67.05507	45.4
69.06716	5.3
69.07068	79.2
69.90885	15.5
69.91267	4.0
71.04974	5.7
73.06538	6.1
79.05489	67.5
81.03403	10.2
81.07060	46.0
82.89552	2.8
83.04973	3.0
83.08607	9.9
84.36842	2.9
87.02642	3.2
91.05480	64.8
93.07035	21.5
93.24107	2.8
95.04971	10.7
95.08607	16.0
97.06542	24.8
97.10164	6.1
98.98477	5.1
103.05471	26.5
105.03362	5.9
105.06367	4.9
105.07037	51.6
107.04927	6.7
107.08591	13.1
109.06508	9.2
109.10131	5.2
111.08078	4.7
114.86863	3.2
115.05460	15.5
115.07594	3.1
117.07018	69.4
119.08583	30.1
121.06510	8.2
121.10129	11.4
125.05978	9.0
128.06210	14.6
129.07019	60.3
131.04900	10.1
131.08569	49.7
133.06473	13.3
133.10130	12.6
135.08029	6.7
141.06973	29.2
142.07794	5.6
143.07040	46.9
143.08571	30.6
145.06511	32.4
145.10129	22.5
147.07980	5.5
149.02298	7.8
149.09613	6.7
150.02661	8.9
153.06967	5.0
154.07687	7.1
155.08565	28.7
157.06459	9.7
157.10112	21.8
159.08130	5.5
159.11652	8.8
161.08131	11.6
163.07593	3.9
163.11107	3.3
165.06972	8.9
166.07823	4.8
166.22745	2.9
167.08578	15.7
169.10129	25.3
171.08090	5.1
171.11697	22.7
173.09630	8.7
173.13264	5.5
175.11165	6.1
177.12682	3.6
179.08607	3.5
181.10095	15.5
183.11679	22.2
185.09671	6.5
185.13223	18.5
187.11200	8.4
187.14807	15.3
189.11093	3.5
193.04984	5.0
193.10103	4.0
194.05391	6.8
195.07980	4.4
195.11708	20.9
197.09634	7.6
197.13289	23.6
199.09599	34.8
199.11105	2.8
199.14832	3.6
209.13237	6.3
211.11186	4.1
213.12735	17.8
215.14323	72.8
219.11803	4.2
223.11139	12.3
231.13713	7.2
237.12659	5.4
241.12282	17.2
259.13275	21.8
261.80206	3.0
271.17029	4.4
275.14774	3.3
275.18039	6.4
287.16385	3.1
293.19055	14.3
295.20456	4.8
303.17087	3.6
311.19940	15.2
313.21582	5.9
315.15897	36.4
321.18396	15.2
329.20935	5.4
333.16977	14.0
339.19531	29.0
357.20428	13.7
367.22491	4.0
395.22095	5.6
413.17767	6.2
413.23196	100.0
414.23535	3.9
431.12576	23.4
431.24271	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.5
55.01865	14.9
55.05502	10.3
57.02564	7.3
67.05496	36.7
68.14256	7.9
69.03423	28.9
69.07075	9.0
69.74467	46.2
71.04996	13.0
79.05484	46.1
81.03423	40.8
81.07048	31.4
85.02884	16.1
85.13414	7.5
91.05475	15.3
93.07057	53.6
95.08585	32.8
97.02902	55.7
99.04462	84.2
99.79119	7.5
103.73772	7.7
105.07005	24.0
107.08611	13.3
109.02865	35.6
109.10178	18.4
109.71603	6.6
119.08611	11.8
121.10117	33.2
123.11639	10.9
127.03928	100.0
130.06541	27.0
131.08572	13.4
133.10110	12.1
135.11700	15.9
138.63077	8.1
145.04984	13.1
145.10211	13.8
147.11726	16.3
161.33630	8.3
193.04970	9.0
213.14568	7.8
215.18074	12.8
233.19034	20.6
251.19873	8.5
343.00479	7.9
344.84903	8.2
376.04779	9.3
395.24216	19.6
430.12057	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	431.243
Annotation	CJ 15544
Peak:m/z	Relative Intensity
51.05320	2.6
53.03939	4.4
53.60706	2.4
55.01860	11.4
55.05513	50.5
57.03421	3.2
65.03918	3.4
66.08844	2.4
67.05507	38.6
69.03417	4.3
69.07060	15.3
69.64545	18.9
77.52817	3.0
79.05498	42.8
81.03394	4.3
81.07063	26.3
83.04966	6.4
83.08625	23.6
91.05469	34.9
93.07023	15.5
95.04945	9.8
95.08578	9.4
97.06521	6.5
97.09619	3.8
97.10178	41.4
98.20752	3.6
98.21326	6.9
98.98447	3.6
100.71342	2.6
103.05480	22.1
105.07037	22.3
107.04944	8.9
107.08573	15.0
109.06487	4.7
109.10146	11.0
115.05448	6.0
117.07011	41.4
119.08554	11.9
121.06503	4.2
121.10142	4.8
123.08079	4.2
125.09605	29.9
126.59554	2.8
128.06204	10.5
129.07016	22.0
131.04935	3.9
131.08556	26.1
133.06503	7.0
133.10129	7.8
135.08051	10.6
135.11668	2.6
141.06964	16.9
143.08528	18.0
145.06490	17.9
145.10138	16.1
147.11679	3.3
153.07097	3.4
154.07777	5.0
155.08554	10.8
157.06474	5.1
157.10124	10.8
159.08034	4.7
159.11731	19.1
161.09515	6.3
163.07523	3.4
165.06943	3.4
167.08545	9.7
169.10117	31.4
171.08095	5.2
171.11702	3.3
173.09613	3.7
175.11029	3.6
177.18321	2.9
179.08626	3.7
181.10143	7.5
183.11647	5.3
185.09666	14.2
185.13286	4.0
187.11180	100.0
189.11201	13.0
197.09529	5.3
199.11176	6.6
205.12202	3.4
211.11275	3.7
213.09081	8.4
227.10696	5.1
227.12766	28.5
245.13765	3.2
293.19000	6.6
303.17371	3.0
311.20029	11.7
321.18466	12.9
329.21158	3.4
339.19571	46.9
357.20493	12.5
413.23233	39.9
431.24265	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	430.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	20.0
53.79840	10.8
55.05492	37.2
67.05503	82.6
69.03410	40.2
69.07055	20.7
69.84452	61.9
70.06568	11.8
71.20631	11.1
79.05500	100.0
79.79853	12.3
81.03411	83.0
81.07053	77.4
83.08618	15.3
85.02900	23.5
91.05486	66.6
93.07044	86.2
95.08585	53.6
97.02894	30.3
98.20862	19.0
98.21382	21.9
105.06999	47.9
107.08579	17.6
109.02888	14.6
109.06519	10.4
109.10114	23.2
117.06973	29.8
119.08565	32.0
121.10146	55.2
127.03902	22.2
128.06276	11.9
129.07008	21.1
131.08545	38.4
133.10121	33.7
135.08118	18.4
135.11664	22.2
137.09587	17.6
145.10118	34.6
147.11636	17.5
149.13216	15.8
153.33916	11.2
156.80347	10.8
159.11700	32.0
173.13226	20.3
187.11197	38.3
198.85829	12.7
215.18002	22.2
249.18338	15.9
299.19885	12.8
339.82480	13.0
340.38297	13.0
341.20856	18.8
377.23450	32.3
430.12347	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81767	0.9
53.03947	8.8
55.01872	11.3
57.03437	6.4
60.04519	1.4
61.02925	7.9
68.99786	4.0
69.03429	35.6
70.48922	1.9
71.04993	5.6
73.02924	10.4
80.05036	1.1
81.03417	39.3
83.01300	0.9
85.02905	100.0
87.00829	41.2
87.04479	1.4
88.67726	0.9
91.03948	2.9
97.02893	39.2
98.06058	1.7
98.21000	1.9
99.04456	18.4
105.01868	32.8
108.04482	10.3
109.02882	39.8
115.03896	1.3
117.01862	7.1
121.23919	0.9
126.05543	5.3
127.03916	85.8
129.01849	4.5
137.05966	2.5
145.04961	43.5
147.02895	4.0
159.02892	31.7
161.05931	1.0
162.81558	0.8
165.09067	2.0
173.64369	1.1
175.07565	1.3
177.03966	1.8
189.03995	1.6
189.09093	4.3
213.03946	4.0
230.06650	3.3
231.04994	14.8
231.10170	3.0
248.07703	3.4
266.08929	1.1
273.11230	2.0
451.19699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
56.05024	1.2
60.04528	3.2
69.04548	1.8
69.07056	1.7
70.06593	21.9
71.01363	0.9
71.57957	0.8
72.04518	0.8
72.08151	10.6
76.04000	1.5
77.94556	0.6
83.06102	1.2
84.04502	6.5
84.08135	9.8
85.02911	0.7
86.09702	100.0
87.10039	1.0
98.02433	0.6
98.09681	1.4
99.05567	9.4
101.07159	0.8
102.05563	0.9
105.24979	0.8
109.03993	0.8
110.07207	1.4
111.05529	1.0
116.07090	24.2
117.06620	3.0
117.10207	0.9
124.07576	1.4
125.03506	0.9
127.05034	28.6
129.06540	0.7
129.10228	9.1
136.07626	0.8
137.02359	0.6
137.03433	0.7
139.05023	11.1
143.11797	10.3
145.06021	2.9
156.07697	1.9
157.13324	0.7
163.03949	1.2
166.07266	0.7
171.11284	0.8
183.15140	0.8
184.07167	18.8
184.08751	1.3
185.12813	3.4
187.07106	6.4
197.12778	0.8
199.18039	4.4
202.08224	9.1
205.06470	0.8
205.08214	2.2
209.02649	1.5
213.12357	1.7
221.06041	2.0
222.06331	3.8
222.12332	0.7
223.07556	0.7
227.17598	3.0
228.13452	1.9
229.15497	2.4
233.98181	0.7
239.14847	0.9
240.13338	0.7
242.18646	1.3
246.14439	0.6
250.05853	1.9
252.13280	0.7
268.06961	1.3
269.16068	4.0
270.14575	3.1
270.17865	0.6
287.17133	31.5
288.17450	1.1
290.75098	0.7
295.05936	2.5
296.06305	7.3
297.15616	0.8
298.97183	0.7
315.16611	13.9
320.47446	0.7
409.13669	0.6
430.09680	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.76508	1.2
55.05500	2.7
57.07076	17.8
67.05492	4.9
67.95922	1.2
69.07053	4.5
69.35444	11.6
71.08635	13.1
73.00129	1.2
79.05476	1.5
81.07058	8.4
83.08609	3.8
85.10168	5.1
91.05450	2.1
93.07021	3.2
95.08600	9.0
97.10169	2.5
98.21407	3.3
105.07063	3.0
107.08568	5.8
109.10178	7.6
110.32334	1.2
111.04370	1.5
111.11695	1.4
119.08573	4.7
121.10130	5.1
123.08094	2.2
123.11703	2.2
133.10115	2.8
135.08063	6.6
135.11713	2.9
137.05940	1.3
137.09618	9.0
139.07567	2.4
145.10075	2.4
147.11671	1.3
149.09616	17.4
151.07584	1.6
159.11703	3.0
163.11182	24.1
165.09116	100.0
166.09393	1.5
173.09660	2.4
173.13223	1.8
175.11160	6.4
177.09100	13.3
179.10757	1.4
187.11079	4.1
189.09109	1.8
190.09808	1.6
191.10681	10.4
197.50920	1.3
201.12729	4.6
203.10605	2.3
204.11572	1.3
205.12221	10.8
219.13768	5.1
233.15375	3.2
247.17032	3.4
254.79715	1.3
275.19992	2.4
289.21875	1.8
303.23080	1.8
331.26404	1.7
401.34283	3.3
411.36334	3.9
429.31924	3.4
429.37250	43.0
430.38327	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3727
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05504	3.5
57.06825	1.5
57.07079	18.3
61.31251	0.8
65.03905	1.0
67.05500	6.1
69.07058	4.0
69.35380	1.9
69.35797	6.1
71.08637	15.2
75.86445	0.9
76.11131	0.9
79.05451	2.1
81.07059	7.9
83.04953	0.9
83.08612	2.6
83.18240	0.8
85.10192	5.3
91.05466	2.8
93.07050	2.2
95.08595	7.9
97.10155	2.3
98.21521	1.6
99.22926	1.0
105.07059	2.9
107.08598	5.9
109.10165	6.5
111.04464	0.9
119.08575	3.4
121.06518	1.7
121.09406	0.9
121.10130	4.6
122.07298	1.6
123.08092	1.7
123.11726	1.0
131.08577	3.0
133.10130	1.8
135.08055	6.4
135.11732	2.0
136.08833	0.9
137.09621	11.6
139.07539	2.1
145.10123	2.0
147.08041	1.1
149.09634	17.0
149.13170	0.9
151.07539	2.3
157.10179	1.1
159.08005	1.5
159.11690	2.8
161.09540	1.4
162.06755	1.7
163.11185	19.0
164.08325	1.7
165.09120	100.0
173.09682	2.5
173.13298	2.1
175.11160	6.5
176.08319	2.2
177.09074	11.8
177.12666	2.1
179.10706	1.2
186.10373	1.0
187.11172	3.3
189.09134	1.7
189.12691	1.4
190.09850	1.8
191.10684	11.3
191.14331	1.1
201.12764	2.7
203.10672	2.7
205.12241	10.0
215.14349	1.8
219.13843	5.4
233.15367	3.0
247.17084	1.2
261.18396	1.2
275.20255	1.3
289.21594	1.8
345.27676	1.2
401.34210	2.2
411.36288	1.9
429.31863	3.6
429.37271	34.3
430.37869	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	429.3727
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.09817	0.5
52.50048	0.5
55.05501	2.2
57.07080	17.3
67.05505	5.5
69.07056	4.2
71.08633	10.7
71.12411	1.3
79.05498	1.5
81.07059	7.5
83.08623	3.1
85.10181	6.5
91.05476	2.6
93.07048	3.0
95.08601	6.2
97.10178	2.9
98.21104	0.8
105.07032	2.5
107.08588	6.1
109.10168	6.2
111.04424	0.9
111.11716	0.9
117.65866	0.6
119.08602	3.9
121.06500	0.5
121.10143	4.0
122.07275	0.9
123.08090	1.0
123.11710	2.2
123.26472	0.7
129.59698	0.6
130.07748	0.7
131.08562	2.2
133.10144	1.7
135.08046	5.7
135.11700	1.9
137.05962	0.9
137.09616	10.5
139.07538	2.1
145.10115	2.5
147.11720	0.6
149.09621	15.3
149.13148	0.6
151.07504	1.6
151.11154	0.5
157.10149	0.8
159.08020	1.4
159.11723	2.7
160.08766	0.7
161.09575	1.0
162.06755	1.0
163.07539	0.7
163.11183	22.2
165.09122	100.0
166.09433	1.3
172.08850	0.6
173.09593	2.0
173.13234	1.9
174.10323	0.8
175.07568	0.7
175.11176	5.4
176.08325	1.8
177.09108	13.1
177.12761	2.5
179.10687	1.6
186.10381	1.2
187.11166	2.4
189.09079	1.0
189.12746	2.1
190.09892	1.1
191.10680	11.8
193.12189	1.2
199.31490	0.6
201.12814	2.9
203.10661	2.4
203.14342	1.8
205.12265	9.9
215.14285	1.5
219.13828	7.4
233.15361	3.1
247.16875	2.1
261.18436	0.9
275.20062	1.6
289.21786	1.3
297.92221	0.6
303.23239	2.6
317.24805	0.8
331.26498	1.7
359.29446	1.2
373.30789	1.2
383.36707	0.8
401.34036	3.0
411.36328	2.3
429.32144	2.5
429.37253	47.5
430.37845	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
54.32648	1.1
55.01858	3.9
55.05495	2.5
57.03428	4.2
61.02911	3.9
65.03922	1.3
65.94490	1.3
67.05513	3.0
68.99776	1.9
69.03140	1.7
69.03432	19.9
69.07045	2.6
70.06592	9.7
71.04972	1.9
72.08126	5.5
73.02899	5.2
79.05475	3.1
81.03412	22.4
81.07034	6.1
82.06579	1.2
83.04948	2.3
83.68406	1.2
84.04485	3.5
84.08122	5.0
85.02907	48.2
86.09697	10.3
87.00817	15.4
87.04469	1.7
91.05466	5.6
91.22433	1.3
93.07055	8.0
95.04977	16.5
95.08576	2.9
97.02895	13.0
98.20702	2.4
99.04449	9.3
103.03943	2.5
105.01875	12.0
105.07027	9.3
107.08596	12.9
108.70420	1.2
109.02878	22.6
109.06479	2.3
117.01855	3.4
117.07010	5.6
119.08568	3.6
121.06464	3.6
121.10130	10.9
123.04456	1.4
127.03912	38.7
129.01788	2.6
130.07770	3.2
131.08530	1.5
133.06473	1.6
133.10123	2.7
135.11728	6.5
143.11763	1.5
143.88507	1.5
145.04953	13.8
145.10101	10.8
147.02910	2.3
147.08026	2.0
149.06023	2.0
159.02872	12.3
163.11185	100.0
167.06979	3.2
173.09384	1.6
175.11220	1.3
181.12212	6.3
183.10172	1.6
189.03995	2.2
193.12163	1.4
201.05370	2.2
205.12279	5.4
223.13377	7.0
231.05023	7.1
358.51193	1.3
359.02890	2.0
393.15396	3.8
411.17068	1.5
429.15259	4.5
429.21402	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.4
57.03440	6.1
59.99840	0.6
61.83981	0.5
67.05509	8.6
69.07078	2.1
71.04971	0.5
71.08627	0.6
71.32064	1.2
79.05503	8.7
81.07060	9.1
83.08614	1.1
91.05487	4.4
93.07051	11.8
95.04958	0.7
95.08619	7.0
98.98459	0.8
105.07031	4.6
107.08608	6.8
109.10163	3.9
113.00025	100.0
117.07016	2.2
119.08567	3.0
121.10131	6.3
123.11732	0.8
131.08562	3.4
133.10139	2.4
135.11702	4.1
139.01659	0.5
145.10139	2.7
147.11697	1.6
149.02252	0.6
149.13280	4.4
153.02637	0.5
155.01099	0.9
159.11723	3.6
161.13275	1.3
163.14850	2.8
169.02623	83.9
173.13257	2.4
175.14912	0.9
177.16406	0.8
178.05858	0.6
187.14803	1.1
195.93593	0.5
208.02847	0.6
233.22667	1.3
243.21086	8.0
261.22159	17.7
275.23636	0.8
314.49908	0.6
348.91318	0.7
387.85333	0.6
429.23969	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
53.83675	0.9
54.40668	0.9
55.01876	1.5
55.05513	9.1
56.05037	4.3
57.03447	1.1
57.07062	3.1
60.04528	83.6
65.03949	1.2
67.04214	1.2
67.05505	15.9
67.78396	0.9
69.07075	7.0
71.04983	0.9
72.04512	1.2
79.05494	10.0
80.05030	2.2
81.03426	1.0
81.07060	12.6
82.06586	20.1
83.04977	2.2
83.08640	5.8
84.04514	1.0
85.06535	1.2
87.08092	1.0
90.05572	1.0
91.05476	8.3
93.07046	18.9
93.14546	0.8
94.06569	20.2
95.04975	20.6
95.08604	9.0
96.08134	4.1
97.06538	1.6
97.10174	3.0
98.09713	6.2
98.21478	2.2
103.05454	4.1
108.08128	3.4
109.06536	2.5
110.06043	3.0
110.09691	10.7
111.08083	4.4
111.11691	1.1
112.07629	3.1
113.00014	9.7
120.08108	7.5
121.06499	7.6
126.09158	13.5
126.10013	1.5
128.10693	1.4
135.11678	1.8
138.09143	58.5
139.07574	9.1
144.10197	1.6
156.10211	34.2
158.33090	0.9
158.38547	1.0
169.02609	10.6
174.11263	11.6
174.24408	0.9
184.94646	0.8
261.22220	1.9
272.25894	3.4
314.26993	2.5
380.31357	1.2
392.31622	1.6
392.69180	0.9
410.32684	33.5
428.33704	100.0
429.33923	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01871	2.2
55.05504	6.5
56.05025	3.2
57.07057	2.9
60.04530	84.4
64.15056	2.2
65.03951	2.2
67.05508	14.7
69.07056	7.2
71.57927	2.4
71.98234	2.2
72.04505	2.6
76.62135	1.9
77.75285	1.6
79.05492	8.5
81.07063	13.7
82.06585	18.9
82.45306	1.9
83.08613	9.1
85.06541	2.4
87.08098	2.2
91.05454	9.6
93.07051	22.2
94.06570	20.0
95.04966	13.9
95.08598	9.0
96.08107	4.4
96.27938	1.8
97.06550	3.0
98.09689	5.4
103.05471	4.7
108.08119	5.5
109.06528	3.6
110.06033	4.6
110.09684	12.1
111.08092	5.9
112.07613	5.2
112.99934	2.5
120.08102	7.9
121.06496	8.6
126.09177	12.6
138.09145	57.6
138.10207	3.3
139.07539	7.7
144.10295	2.1
156.10207	38.5
170.43182	2.0
174.11279	14.7
272.25754	3.2
300.72519	2.1
321.45148	1.8
322.20038	2.1
392.31647	3.4
401.60776	2.2
410.32645	39.9
428.33713	100.0
429.33057	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	428.337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.9
53.03932	1.8
55.01868	1.7
55.05514	8.7
55.83944	0.9
56.05025	3.0
57.03447	1.0
57.07059	2.8
57.36027	0.7
60.04529	83.1
65.03921	1.4
67.05168	0.9
67.05507	16.3
68.05019	1.3
69.07063	8.1
69.24540	4.7
69.24969	3.2
70.02918	1.1
70.06569	2.1
71.04984	1.3
71.08604	1.9
72.04510	1.5
74.54794	0.8
76.09564	0.8
79.05113	1.0
79.05498	9.4
80.04988	2.2
80.26577	0.7
81.07056	12.9
81.82401	0.7
82.06580	15.2
83.04967	2.4
83.08636	5.4
85.02872	1.0
85.06517	1.9
88.07603	1.3
90.05573	0.8
91.05466	7.8
92.95477	0.6
93.07050	18.6
94.06576	22.1
95.04978	16.4
95.07340	0.9
95.08617	9.2
96.08130	3.8
97.06522	2.7
97.10181	2.2
98.09708	5.3
98.20983	3.9
99.08112	0.9
102.09209	0.9
103.05447	2.9
105.07027	1.0
108.08145	3.7
109.06507	3.3
110.06015	3.7
110.09688	14.4
111.08076	4.5
112.07578	2.4
120.08105	10.0
121.06512	9.2
121.10038	1.0
126.08320	1.0
126.09166	12.8
128.10699	1.9
135.11539	0.7
138.09143	54.0
139.07552	10.2
144.10205	1.3
156.10208	32.6
157.10580	1.1
165.12755	0.8
174.11261	10.0
199.13222	2.2
254.24799	1.1
256.26355	6.3
266.24728	1.1
272.25784	3.3
314.26846	3.2
318.25110	2.3
336.25766	1.0
374.30862	1.2
380.31601	1.4
392.31525	2.5
410.32825	33.6
411.32974	1.0
428.33603	100.0
429.34027	3.5
439.96161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
55.05515	7.3
57.03436	1.8
57.07063	6.0
67.05498	11.1
69.03421	2.5
69.07078	16.4
71.04996	3.3
71.08636	13.2
71.32352	2.5
79.05513	7.1
81.07060	19.3
82.51121	1.3
83.04956	1.7
83.08624	6.4
85.06528	1.7
91.05479	7.6
93.07050	13.3
95.04971	7.4
95.08609	15.3
97.06587	3.1
97.10137	1.8
99.08069	8.1
105.07034	17.1
107.08594	11.5
109.06533	20.8
109.10124	6.0
119.08570	11.7
121.06510	11.6
121.10128	5.9
123.08082	4.0
123.11699	3.0
126.19995	1.4
131.08577	4.0
133.10153	8.9
135.08083	6.9
135.11670	4.6
139.11203	2.2
145.10112	6.6
147.11659	4.5
149.09578	3.3
149.13249	3.4
159.11688	3.3
161.13248	6.1
163.11160	6.8
165.12766	47.2
175.11256	1.7
177.12770	6.2
187.14752	1.8
191.14326	3.6
209.19020	6.6
261.18307	1.9
275.20215	1.6
289.25275	19.1
307.26367	2.0
317.24756	100.0
318.25021	2.4
335.25800	23.1
370.18127	1.5
391.28342	8.6
409.29489	49.9
410.29446	2.2
427.31662	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06400	9.4
54.38388	10.3
55.05503	18.1
67.05490	27.3
69.03426	17.1
69.07058	20.6
70.26173	41.7
71.05003	16.5
71.17372	10.2
76.02226	22.2
79.05475	28.7
81.07065	97.4
83.08557	11.9
84.04488	13.4
85.02908	11.6
86.09716	16.6
91.05463	28.9
93.07039	50.0
95.04946	13.6
95.08579	43.8
96.08125	16.8
98.20839	13.6
105.07037	59.5
107.08598	69.7
109.10158	29.8
119.08622	50.4
121.10132	20.0
123.11716	13.0
128.03464	11.0
130.04961	12.8
130.06512	21.9
133.10144	59.6
135.11707	100.0
138.05434	11.5
144.01135	24.2
145.10127	15.3
147.08080	10.2
147.11662	24.2
157.10168	11.9
161.13266	11.4
162.02248	31.8
174.04004	36.5
190.01657	33.2
203.18004	54.6
208.02776	58.7
210.07838	10.2
221.19058	18.0
248.64955	9.2
315.55359	11.1
428.16846	20.7
428.27298	25.9
433.54871	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	427.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15130	5.4
55.05507	9.9
59.34803	6.1
61.01144	6.1
69.07074	6.1
70.06598	55.9
71.58434	7.4
72.08142	22.8
78.96799	7.0
81.07079	7.6
84.04505	10.5
84.08149	20.0
85.02934	8.6
86.09708	26.0
91.05470	7.4
93.62975	5.6
113.07134	5.5
115.98717	5.9
116.07102	7.0
121.07628	8.3
129.10304	5.9
130.03203	12.3
130.05025	6.2
141.10300	7.0
147.04457	13.5
147.07774	5.7
149.79523	6.8
152.05669	9.7
179.03436	12.9
247.39766	6.7
283.12094	9.1
293.04550	8.7
421.35324	6.7
427.16864	100.0
439.75146	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	427.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.7
57.07080	6.8
62.77726	3.8
67.05507	20.5
69.07075	18.5
69.93021	12.9
71.08642	12.1
73.36022	3.0
75.45740	2.9
79.05516	11.7
81.07058	33.3
83.08639	6.9
85.94370	3.3
90.73502	3.4
91.05512	11.3
93.07050	17.5
95.04996	8.8
95.08614	18.6
97.06573	6.2
99.08121	12.7
105.07057	12.9
107.08604	13.6
109.06516	25.8
109.10183	6.7
117.84331	3.5
119.08622	11.2
121.06552	10.1
121.10178	5.4
123.08099	3.8
123.11753	5.0
123.31281	3.1
131.08655	5.0
133.10165	4.7
135.08073	6.5
135.11734	6.8
139.11266	4.4
140.28606	3.2
145.06502	3.1
145.10164	6.9
149.13269	5.1
159.11684	6.4
161.13277	5.0
163.11229	6.0
165.12744	56.7
166.17877	3.2
171.32060	3.2
177.12767	6.7
189.16399	5.1
209.19069	9.0
256.62946	3.3
263.32736	3.2
289.25281	21.8
299.23816	3.2
307.26492	3.9
317.24777	100.0
335.25790	39.6
391.28357	15.4
409.29437	78.2
411.58078	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	426.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42375	0.2
53.03941	0.3
54.80355	0.2
57.23483	0.3
58.99585	1.3
59.99113	0.4
61.70598	0.2
64.45634	0.3
67.05520	0.3
71.57867	0.4
74.09701	0.3
74.87697	0.3
79.05477	0.5
81.07064	0.5
84.08109	0.3
85.53995	0.3
86.99062	1.5
91.05478	0.5
93.07058	0.5
95.04955	0.5
95.08625	0.5
97.10125	0.3
103.05477	1.0
105.00085	1.2
105.07055	0.3
115.05485	0.3
115.45972	0.3
116.15562	0.3
117.07106	0.3
118.06593	0.3
119.07301	0.5
128.04959	0.2
130.06532	100.0
131.06866	1.3
134.09654	4.5
136.06210	0.4
139.68100	0.2
144.08031	0.7
149.02379	0.6
160.11217	1.1
163.67012	0.2
163.98357	24.0
188.07063	1.9
193.04953	0.4
204.10211	16.9
237.07530	0.5
328.12350	0.3
378.78488	0.3
426.19955	0.4
426.25293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
53.03939	0.3
55.08667	0.2
67.05515	0.3
68.05038	0.3
68.16608	0.2
69.86773	0.6
69.87187	0.4
70.06571	0.3
79.05515	0.3
81.07050	0.5
84.04476	0.3
84.08157	0.2
86.06078	0.6
87.04471	1.3
91.05521	0.3
91.91417	0.2
93.07044	0.5
95.04970	0.4
103.05447	1.2
104.07114	1.7
105.07044	0.4
108.08127	0.9
116.05317	0.5
117.03741	0.3
120.08115	0.7
121.08881	0.4
128.04991	0.3
130.06528	100.0
131.06876	1.5
146.06088	0.3
168.08870	0.3
168.10220	4.3
175.03889	0.4
180.10208	5.6
180.11717	0.4
181.10800	0.2
194.02934	0.3
231.02570	0.3
295.14496	1.3
297.16061	1.8
303.11404	0.2
377.88589	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
67.05498	0.2
70.06584	0.4
71.56866	0.1
71.57394	0.2
75.32068	0.1
79.05484	0.4
81.07054	0.6
82.07437	0.1
83.06120	0.2
84.04519	1.0
84.08158	0.1
85.02860	0.1
86.09735	0.2
91.05483	0.2
93.07030	0.4
95.04968	0.3
95.08627	0.3
97.02904	0.2
97.10175	0.2
98.21178	0.2
103.05466	1.1
105.07028	0.4
107.08621	0.3
109.06624	0.1
119.08562	0.3
120.08105	0.3
121.10147	0.2
125.09664	0.2
128.04955	0.2
129.06642	0.4
130.06535	100.0
131.06868	0.7
131.08571	0.2
133.10107	0.3
145.10135	0.2
146.06033	0.2
147.04456	0.3
147.07614	0.2
154.06590	0.4
173.13344	0.2
174.32825	0.1
182.06134	0.2
218.09660	0.2
243.46092	0.1
264.10104	0.8
292.09750	0.2
334.12866	0.7
426.24899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	6.4
58.99585	9.9
61.01143	5.7
64.14149	3.2
68.05037	20.3
69.05811	36.3
69.55837	17.8
69.56261	5.3
70.06590	7.6
76.02247	8.5
84.04504	69.7
84.08142	3.8
85.01128	13.8
86.99036	5.7
87.02692	89.4
88.03983	21.7
91.12381	3.4
98.20750	7.2
98.21351	6.8
100.02190	8.1
101.01714	4.0
101.02966	4.5
105.00080	5.6
110.00617	4.1
112.02224	5.6
114.03778	3.5
116.05328	28.3
117.03722	80.2
117.97916	4.4
117.99002	4.1
119.05027	3.8
120.08097	3.7
122.02733	27.1
125.07097	4.2
130.05003	51.7
132.63344	4.2
133.01440	12.7
134.06355	100.0
135.81956	3.4
136.07571	9.5
142.03206	9.0
144.12535	3.4
146.00914	3.8
147.02251	15.7
147.04424	6.2
153.06613	4.7
154.05037	4.7
159.02258	6.0
163.98235	4.2
171.07686	12.2
176.01996	49.9
185.02057	26.6
188.03954	4.4
191.99879	4.2
199.07155	12.6
217.08223	21.6
231.02536	72.4
233.71674	3.3
234.04198	5.8
241.13399	4.6
245.04088	5.4
251.06958	22.4
269.12817	11.3
279.03021	5.4
287.13959	7.6
288.12570	3.3
297.03952	15.3
387.93109	3.8
408.07300	4.2
426.08145	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	426.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
55.01875	0.5
59.21188	0.3
67.05503	0.3
67.38815	0.3
69.98998	1.6
75.02376	0.6
77.03933	0.5
79.05505	0.3
87.02563	0.3
89.68649	0.3
91.05481	1.2
95.05031	0.4
95.48530	0.3
95.66173	0.3
101.03928	0.6
102.04655	0.3
103.05456	0.4
104.00875	0.3
118.06543	8.5
118.07344	0.6
119.04938	1.2
124.23284	0.3
129.03374	0.8
130.06525	46.7
131.06882	0.7
132.04445	2.4
144.04446	3.1
146.05966	0.4
147.04407	55.1
148.04871	0.4
165.05370	0.4
175.03903	100.0
176.04327	0.5
180.08092	4.3
187.03864	0.3
194.09651	1.3
204.08084	3.6
218.09683	0.9
221.08394	0.4
222.09151	1.6
232.07542	1.2
233.08339	1.0
246.09137	1.1
249.07867	2.1
250.08635	31.8
251.09039	0.6
262.08652	0.4
263.09299	0.4
264.10153	3.1
274.08469	0.5
292.09677	11.5
309.06006	0.8
357.49738	0.3
395.93759	0.4
426.11520	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2899
Annotation	GEX 1Q5
Peak:m/z	Relative Intensity
53.03949	0.7
53.61858	0.7
53.79660	0.7
55.01858	3.2
55.05291	0.9
55.05511	9.0
56.36900	0.7
57.02852	0.7
57.03430	5.3
57.07066	1.8
59.04995	0.9
67.05508	12.4
69.03417	1.6
69.07068	12.1
69.78411	0.7
69.86806	4.2
71.04987	2.1
71.08630	4.6
79.05498	7.9
81.07056	19.0
81.16174	0.9
81.37299	0.7
83.04973	2.4
83.08622	8.2
83.97089	0.8
84.08099	0.8
85.02909	0.9
91.05481	3.8
93.07053	10.6
95.04960	1.9
95.08613	13.1
97.02907	1.1
97.06538	4.7
97.10186	1.3
98.21194	2.2
99.08073	2.2
105.07026	4.1
107.04923	0.8
107.08591	6.3
107.17126	0.8
109.06487	2.4
109.10165	5.8
110.08650	0.7
111.04431	2.7
111.08073	2.3
119.08557	3.2
121.06471	2.2
121.10135	5.6
123.08060	1.9
123.11708	1.6
125.05997	8.4
125.09628	1.0
131.08571	2.9
133.10118	3.3
134.10374	0.7
135.08066	1.7
135.11700	2.4
137.05974	6.0
137.09608	2.0
139.07541	1.7
139.11188	1.3
145.10179	2.1
147.11684	2.3
149.09589	2.9
149.13271	4.2
151.07547	1.3
157.10106	1.4
159.11676	1.5
161.09612	1.6
163.11172	2.2
165.09038	1.3
165.12697	1.0
167.10680	2.7
167.14302	1.8
175.11182	1.8
177.12767	1.3
179.10655	1.5
179.14262	0.8
181.12209	3.1
193.12323	2.2
207.13818	0.8
216.82892	0.8
217.16104	0.9
231.15866	1.9
235.16905	2.9
249.18466	5.5
263.20065	0.9
265.17941	1.1
274.77002	0.8
277.17877	0.9
277.21622	1.4
287.23569	1.6
301.12759	0.8
305.24744	28.8
306.25049	0.8
315.22986	4.1
333.24228	100.0
334.24561	2.6
351.25293	14.3
407.23050	1.1
407.27997	18.6
407.56259	0.8
425.29022	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	425.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27470	1.5
56.05033	1.8
56.96569	23.8
70.06597	12.2
71.56698	2.1
71.95265	2.0
74.93182	1.6
82.46285	1.7
84.08147	5.5
84.96040	4.2
89.03908	2.8
91.05476	2.9
98.21029	2.4
98.97591	68.4
101.95060	2.0
110.07179	3.8
110.97530	8.9
116.07105	2.2
116.98636	32.3
117.03393	2.1
122.07149	3.6
128.98619	15.4
130.08673	1.9
131.00044	2.0
134.99681	11.7
135.04395	4.0
136.07594	3.7
143.00154	4.8
145.01729	3.7
145.02843	4.3
146.99649	7.4
147.03311	8.5
147.04379	2.7
147.11194	2.1
149.01221	3.7
152.98590	2.9
158.99673	28.3
161.01221	4.8
161.02951	3.5
162.99135	3.1
163.02721	2.9
163.03912	15.4
165.00771	2.1
165.04381	5.4
167.02336	2.1
167.08298	1.8
170.99689	5.1
177.00716	23.2
177.05554	1.7
189.00781	4.6
189.04379	6.8
193.03754	2.0
200.02393	2.0
207.05450	3.2
213.12370	5.7
219.01755	25.0
219.03612	2.0
219.05426	2.5
221.01099	1.9
221.03029	3.6
226.89468	3.7
231.05411	3.5
236.00008	3.4
237.00674	2.9
237.02805	33.2
244.98993	2.5
251.02240	4.2
255.01588	1.7
255.04013	2.4
263.00104	5.3
269.03296	6.1
273.02808	3.2
282.01535	1.8
287.04434	2.4
291.07507	37.2
309.08572	100.0
310.08954	2.2
332.10202	5.0
363.09622	2.6
365.07831	2.6
389.07245	3.6
407.03604	1.9
407.08600	7.0
425.09637	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	425.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.01870	3.0
55.05514	17.9
57.03439	7.2
57.07070	10.1
60.24235	1.8
65.10130	1.9
67.05503	15.2
69.03429	9.8
69.07062	11.7
69.84291	12.5
71.05000	2.4
73.99242	1.8
79.05489	17.3
79.70843	2.0
81.07067	22.6
83.04984	5.7
83.08617	6.1
85.06543	4.8
91.05492	17.2
93.07048	41.6
95.04983	12.0
95.08613	8.3
97.02894	37.8
97.06549	8.7
101.69884	2.1
105.07050	8.4
107.04959	2.7
107.08632	10.9
107.63348	2.0
109.06508	2.4
109.10184	5.6
111.04456	20.3
111.08129	2.2
113.05981	9.9
115.05475	3.1
116.06268	2.7
119.08594	5.2
121.06509	21.7
121.10146	37.4
123.04429	5.5
125.06035	5.8
131.08575	45.2
133.10202	4.4
134.67969	2.0
137.03951	2.2
139.11163	6.0
145.10289	2.0
149.09636	79.4
149.13246	5.7
151.07544	2.2
167.10696	100.0
167.14343	6.3
185.11768	5.3
206.11301	1.9
235.16919	2.5
241.18089	3.4
249.81058	2.1
259.19031	7.7
333.24231	7.5
339.19403	2.7
357.20587	2.4
407.43759	2.1
425.28918	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	424.2845
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
55.05492	2.5
67.05512	2.7
68.15723	1.2
69.07050	1.5
71.57661	1.6
77.69530	1.3
79.05495	9.8
81.07055	3.1
89.45850	1.3
91.05495	4.6
93.07057	11.1
95.04972	1.9
95.08606	1.8
103.05466	28.7
105.07044	5.9
107.04956	18.4
107.08603	4.1
111.54304	1.3
118.81319	1.3
119.08611	2.4
120.08105	3.8
128.89476	1.2
130.06546	4.4
131.04927	11.2
132.08076	3.9
134.09637	5.6
135.11676	5.1
148.11176	2.3
159.41986	1.3
162.12778	32.5
176.14331	4.0
177.15123	1.4
206.11703	3.1
256.13287	1.5
296.20334	1.4
310.17999	88.7
311.18378	3.2
312.19519	4.4
326.21152	32.0
336.03595	1.5
354.20642	2.6
378.27863	1.8
424.28467	100.0
425.28665	4.1
427.24741	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.3
57.07077	69.1
67.05487	2.1
69.03445	1.8
69.07066	8.4
69.53786	12.0
71.08633	46.9
72.08160	7.8
73.06555	3.7
81.07037	2.2
83.08638	2.8
85.10181	35.6
89.06033	100.0
93.07063	3.4
95.08604	2.9
97.10174	5.6
99.11731	6.7
107.07076	5.2
109.10093	2.1
111.11722	4.4
113.13293	3.1
119.08508	1.5
133.08603	64.5
150.32364	1.5
151.09682	4.1
169.19598	1.9
177.11201	14.5
188.21529	1.5
195.12347	2.9
217.10507	1.8
221.13846	2.3
239.14897	46.6
257.24841	4.3
294.95108	1.5
301.27530	2.9
363.31110	2.3
395.11325	1.7
407.33661	45.8
408.33957	1.8
424.28384	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	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16171	1.3
53.03938	4.9
55.01876	7.8
57.03425	4.7
61.02920	5.0
67.05495	3.1
68.99777	2.3
69.03434	30.0
71.04996	4.3
71.57700	1.3
73.02906	4.9
79.05457	1.9
81.03416	21.0
81.07051	3.6
81.76057	1.3
85.02906	100.0
86.03242	1.5
87.00832	37.4
91.03926	1.9
93.07035	1.4
95.08558	1.3
97.02889	26.5
99.04449	13.0
101.02322	1.6
105.01872	62.5
108.04474	3.3
109.02881	28.4
109.10165	1.7
117.01824	1.6
121.10208	1.4
127.03920	72.1
129.01845	4.3
130.06534	2.4
145.04968	34.0
147.02879	3.3
159.02908	16.5
159.04143	2.2
189.03986	4.7
213.03871	2.5
231.05005	23.4
233.91966	1.3
249.06151	2.5
424.28116	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	424.2845
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03947	1.6
55.05503	5.2
56.59317	1.6
57.07061	4.1
65.03944	2.5
65.10642	2.0
67.05506	8.5
68.05030	9.3
69.07061	6.2
70.06590	27.7
72.55419	1.7
79.05492	13.3
80.05016	6.2
80.89617	1.6
81.03405	2.6
81.07048	13.0
82.06614	3.8
83.08620	1.9
84.04494	3.5
84.08158	3.1
85.06560	1.6
91.05484	17.3
93.07049	16.0
94.06556	2.5
95.04980	6.4
95.08600	6.3
96.08124	5.5
96.08710	1.6
98.06055	1.8
100.07610	16.4
101.04229	3.3
103.05484	2.1
105.07025	32.2
107.07406	2.1
107.08614	10.7
108.08117	6.1
109.10159	4.5
114.05553	6.3
116.07095	2.1
117.07031	11.1
119.08583	28.4
120.08144	5.0
121.10163	5.4
128.06216	3.2
128.07074	19.2
129.07034	5.7
130.05057	2.5
130.06520	8.9
130.07829	4.0
131.08551	17.0
133.09172	1.4
133.10143	11.4
135.08055	5.4
135.11673	5.4
141.07053	1.8
142.07721	3.3
142.08665	4.7
143.08560	14.2
145.10136	18.0
147.07744	1.8
147.11723	4.1
148.11224	7.2
154.08636	32.2
155.08514	3.0
156.09306	3.4
157.10130	12.6
158.10951	1.6
159.11691	6.2
160.11220	3.2
161.09659	2.0
161.13269	2.2
164.07059	2.7
168.10222	6.3
169.10150	6.4
171.11723	7.2
173.13246	12.5
174.12817	5.0
175.14830	2.0
178.08675	4.9
181.10229	3.9
183.11691	5.2
185.13307	4.2
186.12804	2.5
192.10220	3.7
193.10019	2.0
194.11795	18.3
195.11710	2.9
197.13283	2.3
199.05373	2.3
199.14841	4.9
201.16345	3.3
209.13345	5.3
211.14803	2.5
216.10316	2.7
217.15939	2.4
218.11798	4.0
220.13338	5.9
223.14830	4.2
232.13412	4.0
235.14897	2.2
244.13011	1.9
250.16927	1.9
262.08643	7.1
265.00049	1.6
265.19489	2.6
266.19006	1.8
270.15097	1.6
286.18161	4.4
286.74667	2.0
290.08127	5.1
302.17627	4.8
309.22363	2.1
314.21136	7.2
317.19458	1.8
332.22217	100.0
333.22720	3.2
406.27438	10.9
419.37540	1.8
424.23907	7.0
424.28537	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01864	2.0
55.05509	1.9
56.03756	0.6
57.03426	1.5
58.99582	1.1
60.61015	0.6
61.02919	2.0
68.99762	0.8
69.03427	7.5
69.07059	0.8
70.06591	8.2
71.04990	0.8
71.08631	46.1
71.43376	1.2
73.02903	1.9
76.02215	1.1
81.03413	6.2
81.07062	1.0
84.04508	3.7
85.02907	20.3
85.03425	1.0
87.00834	9.5
90.96769	0.8
97.02895	8.5
98.21159	0.9
99.04475	2.5
99.08092	100.0
100.08436	0.7
101.04240	2.8
102.05537	3.2
105.01870	7.8
109.02876	5.7
111.78027	0.7
112.02213	1.3
115.11201	2.4
121.71293	0.6
127.03913	11.6
129.01842	0.9
130.05002	1.2
136.04271	1.3
141.06990	1.0
141.12755	2.4
142.03221	0.9
145.04948	5.1
159.02921	2.9
159.13806	60.8
164.21956	0.6
165.16165	0.6
178.00005	0.8
185.86000	0.7
213.03856	0.7
230.03081	5.1
231.04994	1.9
231.09743	0.9
247.05736	3.1
259.63235	0.7
262.08652	4.0
278.03348	0.7
290.08173	1.7
333.35938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.7
55.05500	15.4
57.03435	4.4
65.03951	5.0
67.05512	48.0
69.03435	63.3
69.07065	13.6
79.05496	39.4
81.02974	7.3
81.03418	100.0
81.07060	51.2
85.02913	8.0
91.05485	22.9
93.07042	49.2
95.05006	7.4
95.08614	39.7
97.02901	13.2
98.20738	6.6
98.21436	13.7
99.04463	11.6
99.71814	4.4
102.65208	4.1
102.93683	4.0
105.07018	17.4
107.08595	25.6
109.02878	11.4
109.10152	16.7
117.07006	9.6
119.08575	16.9
121.10155	23.4
123.11713	4.8
124.41099	5.0
127.03894	9.1
129.06992	6.5
131.08560	18.6
133.10143	10.9
135.11722	10.4
145.10141	11.1
147.11694	9.9
149.13303	5.3
159.11615	5.9
161.13252	8.9
173.09747	4.1
177.16449	4.1
200.79146	4.2
214.51128	4.8
217.63246	3.5
218.63744	3.6
261.22131	9.5
303.23138	7.4
313.45825	5.1
327.90796	4.0
332.54559	4.3
369.23941	5.4
387.25327	5.6
405.26215	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.2
55.01878	13.9
55.05511	26.6
57.03429	11.4
57.07076	11.6
67.05171	7.7
67.05505	100.0
69.03416	20.1
69.07059	23.1
71.04994	12.2
71.58932	7.2
73.02930	10.6
78.58537	5.4
79.05502	78.4
81.03419	32.6
81.07059	94.4
83.01331	6.6
83.05008	6.8
83.08608	17.2
85.02933	9.5
91.05483	53.5
93.07052	96.6
95.04951	12.8
95.08611	71.3
97.02889	88.1
97.06531	8.8
97.10130	8.6
99.04482	44.3
105.07030	46.1
107.08591	54.5
109.02885	15.7
109.06534	9.4
109.10157	40.5
111.08067	10.9
117.06998	21.7
119.08591	40.1
121.10136	58.3
123.11683	14.0
127.03956	35.9
131.08592	29.6
133.10110	34.3
135.08057	7.5
135.11684	29.2
137.09665	6.2
142.07785	6.7
143.08592	11.9
145.04977	12.3
145.10146	19.0
147.11682	26.2
149.13246	18.8
157.10133	12.9
159.11699	15.9
161.13231	10.3
165.09108	8.3
173.13229	12.0
175.14824	7.3
189.48106	5.7
215.76921	5.5
239.31496	5.9
243.21127	8.3
261.22171	25.6
301.54990	5.9
369.24136	14.3
387.25208	11.2
405.26328	14.0
423.27667	24.7
435.81760	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25995	2.8
51.92765	2.7
52.74438	2.6
53.03950	15.7
53.68484	2.6
55.01888	17.3
55.05518	23.8
57.03428	11.0
57.07071	3.6
60.77522	3.0
61.75661	3.1
65.03933	4.2
67.05505	100.0
69.03430	44.5
69.07067	25.2
69.78298	3.1
69.78603	18.4
71.05005	15.3
73.02917	11.1
79.05050	6.2
79.05492	83.2
79.79941	2.8
81.03036	3.1
81.03423	31.8
81.07057	94.9
83.05016	3.9
83.08615	10.3
85.02907	14.7
85.06583	2.8
91.05481	48.5
93.07045	86.4
95.04964	8.9
95.08607	87.7
97.02891	99.5
97.06539	3.6
97.10159	2.8
98.21337	7.2
99.04459	80.8
99.05099	4.3
99.08083	3.1
101.02374	5.5
105.07034	40.4
107.04910	4.2
107.08595	45.9
109.02895	30.4
109.06550	4.1
109.10149	33.1
111.04404	6.0
117.07036	15.2
119.08582	27.9
121.10145	42.9
123.08083	5.8
123.11703	10.8
127.03921	69.9
129.07010	3.5
131.08580	22.2
133.10117	20.7
135.08035	3.1
135.11713	33.4
137.09657	2.9
138.14868	3.3
144.98053	3.0
145.04962	10.9
145.10106	20.0
147.11716	15.0
149.09583	3.3
149.13297	18.4
157.10123	4.0
159.11653	14.9
161.13275	14.4
163.11212	3.1
163.14786	6.9
165.12822	3.4
171.11711	3.4
173.13252	12.3
175.14772	3.9
187.14935	6.7
240.40347	3.6
243.21036	10.3
259.20508	5.7
261.22134	33.8
279.23404	3.1
328.32263	3.5
423.26978	5.5
439.80362	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	423.2742
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
50.60586	5.1
53.03938	17.1
53.33144	4.6
55.01880	10.7
55.05524	26.3
56.08119	4.3
57.03442	9.5
65.03942	8.0
67.05503	93.8
69.03431	36.9
69.07074	27.0
69.92949	21.0
71.04975	7.2
79.05490	80.4
81.03432	43.5
81.07061	100.0
83.04994	8.7
83.08624	12.8
85.02905	18.6
91.05485	61.0
93.07051	92.8
95.04955	15.0
95.08604	69.7
97.02895	9.2
97.06542	8.0
97.10180	5.0
98.20837	10.7
98.21411	7.8
99.04452	8.0
105.07030	59.6
107.04972	7.8
107.08598	57.4
109.06501	14.0
109.10128	39.3
111.04431	6.7
111.08089	8.3
113.02466	4.8
117.06996	22.6
119.08591	51.3
121.06484	9.9
121.10145	40.6
123.08046	8.0
123.11706	9.6
127.03935	9.3
129.05568	5.4
129.07004	20.0
130.06566	6.2
131.08554	40.2
133.10150	42.1
135.08047	11.4
135.11688	23.9
139.11147	6.0
143.08562	13.1
145.10124	41.2
147.08023	7.8
147.11708	26.9
149.09621	7.6
149.13240	14.1
157.10124	10.4
159.08104	5.2
159.11703	22.6
161.09782	6.2
161.13246	14.5
163.11148	5.1
165.09061	7.6
171.11740	9.7
173.13272	21.7
175.11299	7.1
175.15027	6.6
185.13229	12.2
187.14862	10.8
211.14815	5.7
235.97908	5.1
249.15065	6.9
259.20578	17.9
261.22131	25.7
273.22159	9.2
275.23737	7.5
277.21533	7.1
289.21536	8.3
301.21460	7.3
303.23248	15.7
315.23178	5.4
345.23978	5.5
351.23251	10.1
369.24335	27.7
387.25284	35.7
405.26526	37.6
423.27756	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	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15782	5.5
53.03940	12.7
55.01875	12.4
55.05512	29.2
57.07076	35.4
57.34233	5.2
62.85425	5.6
67.05512	90.6
69.03454	27.4
69.07062	25.6
70.83431	10.7
71.04998	9.9
71.08634	30.5
73.06538	6.6
73.88094	5.6
75.99926	5.1
78.05164	5.5
78.92963	6.5
79.05497	71.0
81.03419	25.3
81.07062	96.0
83.04957	6.9
83.08611	17.0
85.02918	10.4
85.10169	18.8
89.06033	100.0
91.05474	47.8
93.07053	82.0
95.04974	9.9
95.08610	71.0
97.02889	65.9
97.06530	8.4
97.10172	6.7
98.21082	9.2
99.04477	31.7
103.03979	6.3
105.07037	41.9
107.08601	41.6
109.02859	16.3
109.06557	8.1
109.10139	38.2
111.04467	5.6
111.08076	10.1
117.07010	16.5
117.09175	5.0
119.08578	35.9
121.06525	6.5
121.09374	6.8
121.10143	34.9
123.08018	7.3
123.11736	9.2
127.03889	18.4
129.07022	6.6
131.08569	40.3
133.06421	6.2
133.08633	31.6
133.10135	25.0
133.37076	5.3
135.11694	25.9
145.04968	8.9
145.10153	23.3
147.11664	23.2
149.13264	18.9
157.10104	9.8
159.11682	21.9
159.20096	5.5
161.09641	6.6
161.13283	18.3
171.11685	8.9
173.13248	13.8
175.14732	6.5
177.11212	10.0
185.13237	7.0
187.14941	7.1
197.13243	6.2
201.12834	6.1
243.21164	8.5
259.20575	11.8
261.22318	25.6
291.23035	5.3
303.23141	16.5
315.23215	7.2
349.79932	6.9
369.24078	21.3
371.93399	6.1
387.25507	11.6
405.26282	21.0
423.27234	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
51.78136	9.7
52.97108	7.9
53.03933	13.0
55.05500	25.7
57.03434	9.2
57.07085	14.5
67.05508	92.6
69.03422	42.2
69.07065	33.7
69.26689	96.0
71.01320	9.6
79.05492	75.9
81.03416	56.1
81.07053	100.0
83.04971	17.3
83.08612	20.5
85.02905	13.8
88.41078	9.7
91.05487	65.3
93.07059	96.1
95.04975	14.9
95.08617	86.4
97.02853	26.6
97.06561	11.6
105.07030	57.8
107.04958	11.0
107.08584	62.4
109.02873	15.1
109.06483	14.2
109.10146	45.2
111.04430	9.3
116.84131	10.4
117.07046	26.8
119.08585	67.8
121.06584	11.0
121.10160	52.2
123.08102	13.3
123.11687	18.1
131.08549	46.2
133.10185	43.7
135.08043	13.0
135.11716	26.3
137.09575	11.5
141.06940	10.5
145.10109	40.7
147.11662	27.1
149.13260	15.3
157.10156	15.2
159.11688	24.1
161.13260	18.3
163.11374	9.1
163.70024	8.2
169.10121	11.1
171.11795	14.7
173.13223	17.3
183.11826	8.9
187.14743	10.8
200.67873	10.3
259.20615	18.5
261.22189	16.6
277.21619	14.2
296.85107	10.6
301.21423	12.8
303.23193	36.8
369.24213	25.6
387.25183	27.5
405.26260	39.9
423.27371	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	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.0
55.01869	8.1
55.05510	33.4
57.03447	12.4
57.07072	5.3
61.02930	2.3
65.03937	5.6
67.05508	98.4
69.03429	36.9
69.07068	28.6
69.65993	11.8
71.01360	3.1
71.04994	10.0
73.02908	3.9
74.53175	2.1
79.05494	81.8
81.03424	50.7
81.06576	4.9
81.07057	98.7
83.04982	12.7
83.08626	18.7
85.02904	21.4
85.06532	3.7
87.04427	2.7
91.05480	68.0
93.07046	100.0
95.04956	17.5
95.08608	85.1
95.09242	3.1
97.02886	18.2
97.06514	9.1
97.10172	6.5
98.20769	4.2
99.04459	10.7
100.31105	2.0
103.03922	5.7
105.07032	64.0
107.04954	8.0
107.07872	2.5
107.08595	52.8
109.02892	5.9
109.06527	9.4
109.10158	36.9
111.04424	11.4
111.08105	5.1
115.05425	4.9
117.07011	27.9
119.08580	48.4
119.09442	2.3
121.06518	8.4
121.10150	43.8
123.08066	8.4
123.11687	13.1
125.09634	3.9
127.03908	9.2
128.06221	4.7
129.05487	4.3
129.06989	16.3
131.04964	2.4
131.08572	43.9
133.06535	7.5
133.10127	42.4
135.08078	9.4
135.11697	31.8
137.05966	3.5
137.09615	5.9
137.13248	5.7
139.11174	2.6
141.07028	4.9
142.07741	4.2
143.08586	17.6
145.06483	7.6
145.10120	29.4
147.08060	5.1
147.11688	30.4
149.09627	6.5
149.13281	16.1
151.11238	3.7
155.08559	9.4
157.06447	2.2
157.10097	14.4
159.08118	5.3
159.11678	29.1
161.09653	5.7
161.13266	23.3
163.11203	6.9
163.14847	8.0
167.08589	4.6
169.08820	2.6
169.10168	8.1
171.08112	3.0
171.11766	13.8
173.09660	3.6
173.13264	23.6
175.11212	5.3
175.14842	9.2
177.12718	6.1
181.10121	3.9
183.11777	4.6
185.09698	4.3
185.13242	11.5
187.11212	5.7
187.14833	9.0
189.12721	3.7
191.10735	2.7
191.14409	2.5
195.11588	2.8
197.13286	5.3
199.14888	7.0
201.12939	2.7
201.86638	2.2
203.14404	2.6
207.13777	3.8
209.13329	3.8
213.16516	3.6
215.14391	3.6
215.17918	2.5
227.14500	3.2
227.17931	2.7
229.15933	2.3
231.13702	2.4
241.16010	2.2
241.19522	8.0
243.21100	6.2
249.14760	6.0
259.20618	18.4
261.22156	29.9
271.20642	3.4
272.03714	2.4
272.07620	2.0
273.22205	6.2
275.23621	2.7
277.21646	9.0
279.23523	4.0
285.22116	4.4
287.20331	2.5
289.21692	6.7
291.23260	6.5
297.22278	3.2
301.21561	6.1
303.23285	20.7
313.21552	4.0
315.19843	2.3
315.23169	6.0
319.22818	5.2
323.23819	2.7
327.23306	2.9
331.22757	4.1
336.83542	2.2
341.24646	6.6
343.22836	2.5
345.24152	3.7
351.23181	7.1
357.24179	4.2
369.24313	24.8
387.25259	22.1
405.26337	28.7
423.27353	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.8
55.01867	10.1
55.05297	3.0
55.05513	29.3
57.03434	10.3
57.07072	3.8
59.05020	3.9
59.10811	3.1
65.03946	5.5
67.05509	90.9
69.03428	38.0
69.07070	31.0
69.51669	26.7
71.04980	10.6
72.85929	3.4
73.29487	3.2
73.81770	3.5
77.03931	3.8
79.05499	70.9
81.03419	45.1
81.07056	100.0
83.04973	16.2
83.08632	16.4
85.02919	17.9
85.06545	5.1
91.05483	63.5
93.07048	85.3
95.04982	18.2
95.08607	64.8
97.02907	18.2
97.06531	11.5
97.10181	6.7
98.21379	11.1
99.04439	7.1
99.08103	4.1
101.04901	3.9
103.03879	5.2
103.05469	3.6
105.07034	61.7
107.04984	4.6
107.08611	49.8
108.10278	3.5
109.02888	7.7
109.06513	13.0
109.10149	42.7
111.04443	9.6
111.08093	9.4
115.05453	5.4
117.06984	24.1
119.08576	46.0
121.06497	8.6
121.10134	36.6
123.04408	5.5
123.08047	7.6
123.11710	11.3
127.03941	9.6
127.07597	4.1
128.06226	6.7
129.06990	15.6
131.08580	37.1
133.06543	5.7
133.10124	37.1
135.08086	7.2
135.11700	29.8
137.09598	6.2
137.13277	4.7
139.11261	3.8
143.08537	17.0
145.06483	6.6
145.10130	23.7
147.08073	8.5
147.11697	28.0
149.09631	9.7
149.13258	15.2
155.08583	3.8
157.10143	14.1
159.08078	5.5
159.11676	22.9
161.09642	3.8
161.13246	15.6
163.11131	3.9
163.14792	3.8
167.10623	4.0
169.10201	6.7
171.11685	13.7
173.09563	4.6
173.11928	3.9
173.13185	18.7
175.11230	6.1
175.14784	8.6
181.10063	4.3
183.11740	8.6
185.13342	8.5
187.11244	6.0
187.14886	5.5
189.12817	6.7
191.10506	4.6
197.13205	4.8
199.14842	7.9
209.13347	4.1
211.14761	4.0
215.17931	3.6
217.15756	4.4
223.14879	4.7
229.15947	3.6
243.21097	6.9
259.20605	14.7
261.22174	20.9
273.22244	5.3
277.21588	7.1
285.22101	6.5
289.14874	3.8
289.18228	3.8
289.21564	4.8
291.23148	8.0
295.89957	3.5
301.21762	7.9
303.23212	19.9
313.21628	4.4
315.23242	5.9
327.23355	3.8
341.24701	5.3
345.24310	7.8
351.23090	11.6
369.24194	25.8
387.25385	29.8
405.26431	31.6
423.27487	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
61.01146	8.6
64.88595	1.1
70.36399	4.2
71.04966	1.2
72.04517	12.3
72.08170	7.3
73.02908	1.5
78.03791	17.3
78.04505	1.0
82.43889	1.1
83.04971	2.7
84.04475	1.2
84.08137	1.5
85.02895	7.7
85.06556	1.5
86.06049	2.2
86.09685	1.5
88.02218	5.9
98.02412	1.5
99.04476	6.7
99.05573	4.2
100.02201	1.7
102.03767	24.0
103.02159	2.0
103.03950	15.8
104.01693	1.5
109.02873	3.9
113.05961	2.2
114.03756	4.1
114.05497	1.5
120.04808	4.2
120.08114	5.4
124.07617	2.1
126.05508	22.6
127.03924	6.7
129.10265	1.4
131.06392	11.8
132.04785	13.5
136.07578	1.4
141.06548	1.3
142.08635	5.5
149.07446	52.8
152.07042	2.6
154.08658	3.4
159.05872	3.4
175.05359	2.5
177.10245	1.8
180.06546	13.7
184.09654	2.3
186.05705	1.2
198.07639	2.7
205.09740	1.9
216.08687	1.9
231.11589	4.0
241.09512	1.3
257.09436	1.5
261.12604	3.6
275.10489	2.7
293.11664	100.0
302.12259	1.5
405.12579	1.7
405.16916	34.9
406.16797	1.4
423.12473	6.6
439.42456	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.01868	8.7
55.05516	22.1
57.03424	5.2
57.07066	5.8
61.02922	5.6
67.05500	3.3
68.99775	2.2
69.03072	2.2
69.03433	32.7
69.07071	12.2
70.97497	3.4
71.04990	3.1
71.08618	1.9
73.02930	6.4
79.05497	1.6
81.03421	24.3
81.07061	3.6
83.08622	36.2
85.02908	100.0
87.00835	35.3
89.60063	1.5
91.03936	1.7
91.05505	2.9
93.07025	2.1
97.02892	40.5
97.10183	12.8
99.04468	14.8
103.03952	1.5
105.01875	62.6
105.07027	2.5
108.04470	4.1
109.02885	26.4
115.03940	1.3
117.01840	2.0
126.05482	1.6
127.03922	73.6
129.01804	3.1
145.04970	37.7
147.02890	2.5
159.02892	12.1
164.45540	1.4
166.34145	1.4
177.04010	1.4
189.03973	2.4
213.03912	2.0
230.06395	1.9
231.05025	20.6
249.06064	7.2
289.07364	1.4
392.90707	1.4
404.08139	1.5
422.09784	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.1
58.99593	14.6
67.05504	3.7
69.07057	4.9
70.06582	3.5
70.18386	7.8
70.18739	2.8
72.08185	3.1
72.91598	2.4
74.00633	3.0
76.02231	62.3
76.03993	4.0
79.05489	7.4
81.03429	4.5
82.06599	7.8
83.06087	2.8
84.04507	38.2
84.08140	17.8
85.04010	3.5
86.99071	3.3
87.04452	3.2
93.07050	2.5
97.06538	100.0
104.07076	2.6
116.01686	19.4
129.03709	24.9
129.06578	2.5
130.05005	20.9
130.08655	2.4
131.04521	5.1
140.26401	2.4
142.03253	5.7
144.01143	8.3
150.44737	2.4
154.06842	5.6
162.02213	38.2
163.03864	2.5
172.07863	5.0
176.10541	2.3
177.03296	9.7
177.18094	2.2
179.04863	73.2
195.14861	5.0
231.04317	5.9
233.05922	18.3
241.15511	7.9
245.06009	3.0
260.01239	2.6
270.89047	2.6
275.10611	23.9
275.25333	2.5
291.06531	3.2
308.09109	30.6
338.20889	3.2
422.11249	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17909	0.4
54.82022	0.4
56.05035	2.7
56.50465	0.4
70.06607	0.6
74.06081	7.8
81.07047	0.6
84.04492	0.9
84.08147	0.7
86.09707	100.0
87.10050	0.7
93.07046	0.5
98.06064	1.1
99.05573	0.5
103.05470	0.9
116.07096	1.2
120.08109	12.5
126.05517	5.3
130.06526	1.7
139.12364	0.5
144.06580	1.0
150.54779	0.4
165.79318	0.4
165.83554	0.4
166.08650	4.7
195.11331	3.7
196.84717	0.5
211.14433	0.8
233.16609	0.5
239.13908	10.6
279.17026	9.0
360.19257	0.9
383.56995	0.4
400.09164	0.4
422.25391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89064	0.4
53.03942	1.3
55.01877	0.4
55.05505	1.3
57.07064	2.0
62.36948	0.4
66.76619	0.4
67.05507	4.4
69.03423	2.6
69.07069	4.7
70.86323	0.7
70.86680	1.0
79.05496	7.6
81.02995	0.6
81.03407	2.8
81.07059	100.0
82.07408	0.8
85.02908	9.2
87.00826	3.6
93.07029	0.9
95.08611	20.7
97.02899	5.6
98.21245	0.7
99.04459	2.0
105.01871	7.6
109.02879	2.5
109.10185	1.3
126.37202	0.4
127.03918	8.5
129.01860	0.5
130.06592	0.5
131.13422	0.4
137.13257	19.2
145.04964	5.7
159.02936	1.6
231.04974	2.8
235.74312	0.5
249.06088	1.3
380.05182	0.5
433.36618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	8.4
56.05038	7.3
61.01156	6.3
68.05035	7.1
70.06589	4.3
70.92716	2.7
72.08159	100.0
81.03448	1.8
81.04527	5.1
82.19564	1.0
84.04509	3.7
84.08155	3.7
85.02923	1.1
86.09705	2.7
96.04488	3.1
98.21014	1.7
100.02201	4.3
103.93558	1.2
104.05357	1.8
108.34524	1.0
112.80020	1.3
113.07136	59.6
120.04469	9.4
122.07162	26.4
129.10197	1.7
130.05049	2.1
130.06566	1.9
140.08247	5.2
141.06657	1.3
143.27063	1.3
147.04375	1.6
147.07695	1.3
148.09970	1.3
161.07466	16.7
177.03261	1.8
185.07001	1.1
189.06934	27.0
189.08508	2.1
213.07060	1.9
233.11322	28.7
243.11630	4.1
255.80592	1.0
288.13763	5.1
297.84579	1.1
320.58023	1.3
376.49200	1.3
392.57199	1.1
421.17236	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	421.2698
Annotation	1-oleylglycerone 3-phosphate
Peak:m/z	Relative Intensity
50.45897	1.0
51.34740	1.0
53.51828	1.1
55.01860	1.6
55.05502	5.2
56.05037	5.8
57.03418	1.3
59.04988	1.0
67.05502	10.0
69.07069	3.9
71.05000	2.4
79.05507	8.0
81.03418	1.3
81.07056	14.4
83.04994	3.2
83.06107	31.2
83.08630	2.8
84.04506	100.0
85.02899	3.5
91.05482	11.3
93.07047	14.4
95.04961	3.5
95.08607	11.3
97.06516	2.7
97.10172	1.4
98.20823	4.7
98.21523	2.2
101.07158	13.7
101.17190	1.3
102.05540	17.1
105.07014	11.2
107.04926	2.6
107.08579	8.7
109.06539	2.7
109.10180	1.7
111.08082	1.4
117.07015	5.3
119.08585	8.1
121.06496	5.4
121.10126	4.2
123.08039	2.6
129.06596	44.2
130.05008	76.8
130.06551	4.7
131.08582	12.1
133.06538	1.2
133.10123	7.7
135.08058	3.4
135.11662	2.7
143.08563	2.5
145.10130	8.1
147.06436	1.9
147.07640	39.2
147.11688	6.6
149.09604	3.6
151.11214	1.6
155.08585	1.4
157.10138	2.6
159.11742	5.8
161.09662	2.2
163.11127	3.0
168.07986	1.2
169.08470	1.3
171.11739	1.9
173.13263	3.9
175.11133	2.0
177.12643	1.6
187.11145	1.2
191.14252	1.5
201.12762	1.6
207.13795	1.7
219.13887	1.9
239.17952	1.4
247.20580	2.8
257.18994	7.3
275.20062	79.5
276.20169	1.7
292.22699	29.2
293.20978	4.7
329.21243	1.2
358.23657	4.0
376.24850	14.5
403.25842	13.0
404.24255	18.1
421.21579	1.5
421.26773	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	419.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00665	1.2
55.05515	3.3
56.05035	7.9
57.03439	1.1
58.06591	3.7
58.82333	1.0
67.05502	1.1
69.07073	6.3
69.95227	2.5
69.95615	3.2
70.06596	6.1
72.08157	31.8
73.04012	1.5
74.06080	15.7
76.02259	1.1
81.03419	9.1
84.04501	8.6
84.08144	1.9
85.02905	1.9
86.09708	100.0
88.03996	1.1
90.57992	1.1
91.05512	2.3
93.07035	2.3
95.04957	1.3
98.21397	1.5
99.78358	1.2
101.07137	18.1
102.05525	1.6
104.05332	2.4
104.30577	0.9
109.10172	1.0
110.07197	1.6
110.09697	3.4
112.07636	1.4
112.11217	2.4
114.08235	1.0
116.07110	3.5
119.08566	2.0
121.06492	1.9
128.10716	11.8
129.10248	6.3
130.03210	1.8
130.05009	2.3
137.09583	1.7
145.06056	2.1
147.04366	1.3
149.02335	1.4
165.09114	3.2
173.12869	70.3
177.03297	4.1
179.04829	2.3
187.14450	1.6
196.27916	1.1
199.18092	1.4
201.12340	45.9
205.11932	1.2
213.16028	1.1
215.13893	2.2
219.13409	37.8
239.12746	2.2
241.96983	1.1
252.14391	1.3
257.14056	1.3
269.18713	1.7
314.20663	7.4
322.12979	1.2
361.87503	1.1
419.13776	4.2
419.19321	1.9
419.24307	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1341
Annotation	Naringenin 4'-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
57.03425	2.4
64.92155	1.0
67.01862	1.2
69.03419	2.6
70.06602	5.0
70.35142	3.7
71.05000	14.2
72.08160	3.3
77.49100	1.1
84.04509	2.8
84.08133	2.4
85.02909	18.3
86.09717	5.7
91.05470	2.6
94.94934	0.9
95.04993	1.4
98.20708	1.1
107.04954	2.5
107.47992	1.0
108.04498	1.4
119.04955	9.9
120.08092	2.6
121.02886	2.4
122.09689	1.3
123.04423	3.3
123.05463	1.2
124.56786	1.1
125.07159	1.4
129.05492	5.1
131.04933	3.2
147.04422	36.1
148.04655	1.1
149.13022	1.0
153.01834	64.5
159.09207	3.4
160.09581	1.2
167.08107	1.6
171.02972	2.1
181.07997	1.3
195.02942	3.1
217.05074	1.4
245.04443	1.5
257.11459	1.8
273.07581	100.0
274.05286	1.7
274.07913	1.8
287.05539	4.9
287.13992	2.3
311.05637	1.5
353.06424	1.1
375.13422	1.0
383.07410	1.3
387.09741	2.3
419.12851	13.6
419.17871	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	419.0974
Annotation	Juglanin
Peak:m/z	Relative Intensity
51.09096	0.2
55.01859	0.8
57.03428	0.7
61.02929	1.2
63.62057	0.2
68.99800	0.6
69.03420	0.3
69.81615	1.3
70.06571	0.7
71.01328	0.3
72.08146	0.3
72.32275	0.2
73.02921	10.7
81.03418	0.3
84.04490	0.5
84.08104	0.2
85.02879	0.5
86.09711	1.0
91.05453	0.2
97.02880	0.3
103.05438	0.6
105.03376	0.7
107.04964	0.9
107.82707	0.2
108.88830	0.2
109.02856	0.3
111.00791	0.7
115.03924	0.8
120.08075	0.5
121.01987	0.4
121.02867	8.7
123.05501	0.3
125.07082	0.4
127.03886	0.3
131.04947	0.5
133.02844	0.6
135.04440	0.4
137.02371	1.1
147.04445	0.7
151.03934	0.3
153.01837	4.6
157.06483	0.6
161.06026	0.4
165.01842	2.3
171.04381	0.3
173.05946	0.4
175.03912	0.4
179.03448	0.3
181.06543	0.3
183.02919	1.1
185.05995	0.5
191.03246	0.3
197.06032	0.6
203.03378	0.7
213.05437	1.9
215.03360	0.3
229.05029	0.6
231.02986	0.4
231.06573	1.0
241.04924	0.8
245.04449	0.6
249.03867	0.5
255.06656	0.3
257.11334	0.6
258.05206	1.2
259.05936	0.6
269.04419	0.3
271.05920	0.5
272.06775	0.5
283.06039	1.0
285.03839	0.3
286.04703	0.7
287.05508	100.0
288.05963	1.7
295.05890	0.4
297.07501	0.7
299.05524	11.7
300.06317	2.8
311.05463	2.9
313.07080	4.0
321.07608	0.2
323.05585	0.7
324.05753	0.2
325.07016	2.4
327.08524	0.4
329.06564	8.1
337.07022	2.5
341.06601	1.7
353.06561	6.1
353.21719	0.3
355.08142	0.7
359.07538	1.5
365.06573	2.5
383.07608	11.7
401.08737	5.9
419.09705	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	419.0973
Annotation	Juglanin
Peak:m/z	Relative Intensity
51.54374	1.1
52.11510	1.0
53.02075	1.1
53.14368	1.1
55.01871	3.1
55.05484	1.7
56.05038	10.4
57.03426	1.3
61.01154	7.1
61.02934	2.6
68.99821	1.5
69.03418	1.7
70.06605	6.1
71.58028	2.0
72.08149	3.8
73.02919	11.6
76.81166	1.1
81.07033	1.3
83.05013	1.4
84.04508	3.4
84.08123	3.9
85.02900	3.0
86.09709	17.4
91.05487	1.5
93.03400	1.2
95.04964	2.1
95.08604	1.4
97.02864	2.5
101.87814	1.2
103.05480	1.9
104.05331	30.1
107.01318	1.3
107.04969	4.0
120.08104	3.1
121.02876	44.7
123.04512	1.3
127.03873	1.3
129.10268	2.6
130.05009	2.2
130.06519	6.3
131.04936	4.0
133.02814	2.0
136.07549	1.7
137.02319	2.2
137.51169	1.1
139.05208	1.1
143.05086	1.4
143.11807	9.8
145.06567	1.7
147.04388	4.3
149.02361	1.8
153.01794	4.8
157.06502	1.3
163.03926	2.0
165.01833	3.6
169.06590	1.1
171.11296	5.1
173.06013	3.1
179.03357	2.0
181.06517	1.4
183.02966	2.7
185.05907	1.4
191.03447	1.8
195.02951	1.6
197.06087	1.5
203.03276	1.4
213.05391	2.3
217.04953	1.5
229.04901	4.3
231.02899	1.2
239.06705	1.4
241.04926	2.0
243.06554	2.3
245.04498	1.8
249.03917	2.3
249.12764	9.4
255.06383	1.7
257.04370	1.6
257.13336	1.9
258.05246	2.6
269.04544	2.3
271.06073	2.6
272.06750	2.4
283.06070	3.8
285.03992	1.9
286.04755	6.7
287.05499	100.0
288.05774	2.4
295.06006	2.5
297.07272	1.5
298.11676	1.2
299.05508	59.5
300.06265	16.2
309.07764	2.1
311.05475	13.4
313.07071	23.7
321.07532	2.0
323.05399	4.5
325.07114	7.5
327.04996	2.2
327.08774	4.3
329.06543	44.7
330.07040	1.4
337.06998	9.7
339.04922	1.6
341.06625	9.5
353.06537	30.4
355.08044	2.8
359.07657	8.8
365.06534	8.0
383.07617	70.6
384.08191	1.6
391.08148	7.9
401.08658	42.1
419.09900	54.8
419.18124	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	418.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	9.7
55.05499	23.1
57.03425	26.3
60.56518	7.5
64.09682	7.8
67.05508	55.5
69.07074	83.1
69.93946	7.7
69.95547	42.8
71.04976	25.0
79.05496	67.7
81.03403	21.2
81.07071	60.0
83.04939	8.4
83.08569	10.3
84.04488	9.4
91.05468	45.8
92.05823	10.5
93.07062	54.7
94.65866	7.6
95.04959	31.8
95.08588	29.8
97.06531	100.0
98.20836	15.2
98.21419	19.2
105.07044	46.2
107.04942	20.1
107.08586	29.6
109.06489	21.8
115.07560	37.5
117.07014	22.5
119.08553	23.6
120.08047	10.4
121.06511	13.6
121.10192	13.2
129.07033	11.0
131.08536	26.2
133.06430	8.4
133.10110	23.5
135.08066	14.3
135.11687	16.5
145.10089	24.1
147.08113	9.3
149.09476	10.9
149.13280	20.1
159.11653	19.0
161.09621	13.9
165.09087	13.1
175.11142	11.1
177.12755	14.3
209.70573	8.2
244.36493	8.8
269.17505	24.5
273.18530	20.3
291.19690	8.2
297.17136	12.5
313.27277	10.2
365.23264	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	418.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73119	1.3
56.05024	2.8
56.96548	3.9
69.74528	5.5
69.74954	3.9
70.06584	5.4
72.08160	8.3
74.06076	2.8
83.06088	1.9
84.04504	5.0
84.08145	8.5
86.09704	16.5
87.05573	2.1
88.03976	1.8
89.03933	2.0
91.05466	2.5
93.07055	2.1
98.97572	2.1
103.05487	9.5
107.04928	2.1
110.07153	6.6
117.03404	1.9
120.08114	100.0
128.90648	1.6
129.10248	8.7
130.05014	2.1
131.04897	3.6
135.04437	9.9
145.02809	1.7
146.99750	1.9
147.04364	2.2
147.07648	3.1
163.03906	13.0
166.08659	54.1
167.01555	2.2
168.41553	1.5
193.01776	1.6
230.07709	2.8
255.01840	2.3
418.16763	2.1
418.26239	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	21.9
57.03429	23.2
62.06077	11.9
67.05490	48.8
69.07069	66.9
69.52525	87.2
71.04977	28.2
72.47933	10.0
79.05486	40.4
81.07076	62.5
83.04969	11.8
83.08588	14.3
91.05492	66.7
93.07048	50.8
95.04989	28.8
95.08591	18.4
97.06528	81.0
98.21391	24.3
105.07030	35.6
107.04889	13.7
107.08595	20.5
109.06556	19.6
115.07553	36.7
117.06921	14.0
119.08558	23.4
121.06489	11.6
121.10125	19.2
130.06525	20.0
131.08531	18.8
134.03780	11.1
135.08057	13.8
138.05476	12.2
143.34744	11.6
157.10155	13.7
158.06042	12.5
159.11710	15.3
168.08145	25.7
210.12781	33.1
269.17435	24.2
273.18457	15.2
297.17047	19.3
300.05914	56.0
301.06085	100.0
336.45428	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2788
Annotation	Machillene
Peak:m/z	Relative Intensity
55.05507	17.7
67.05501	31.5
69.07082	12.2
70.97533	13.2
71.04978	6.1
79.05490	26.4
81.07066	43.1
83.08620	7.4
83.99325	6.1
91.05469	35.6
93.07059	45.4
95.08598	35.4
98.21185	6.5
103.05436	9.4
105.07042	64.0
107.08605	47.4
107.09708	6.6
109.06516	73.9
109.10157	28.1
115.05484	7.1
117.07014	25.7
119.08595	64.0
121.10146	58.7
123.08078	9.9
123.11711	16.6
128.06238	19.2
129.07011	20.5
131.08572	45.6
133.10146	69.4
135.08049	8.2
135.11723	34.7
141.06979	9.7
142.07794	18.3
143.08569	39.7
145.10117	53.7
147.08058	16.6
147.11693	16.9
149.09624	12.0
149.13373	6.3
154.07784	6.3
155.08574	21.0
156.09308	9.8
157.10132	59.6
159.07971	9.8
159.11691	20.5
161.09584	16.7
161.13261	8.9
165.07050	7.4
167.08603	10.2
169.10092	29.3
171.11703	20.1
173.09674	13.4
173.13251	27.1
175.11183	19.2
175.14864	14.2
179.08493	9.7
181.10149	17.0
183.11699	21.8
185.09634	15.0
185.13309	11.6
187.14825	17.9
193.10135	21.0
195.11694	23.8
197.13283	15.5
199.11209	18.7
199.14822	10.2
201.16446	9.5
207.11707	12.9
209.13272	23.7
211.14806	13.8
213.12721	7.3
213.16447	11.2
219.11755	7.0
221.13263	12.0
223.11136	6.5
223.14871	16.9
227.18073	7.5
230.24969	5.9
233.13185	7.0
235.14806	15.6
237.12756	11.9
239.14342	9.4
239.18034	7.0
244.12555	8.6
245.13312	9.7
247.14970	11.5
253.15865	8.1
259.14832	8.7
261.16400	7.3
289.19437	7.0
317.22424	6.2
357.25943	9.8
359.23538	17.8
373.25034	7.9
374.25937	7.3
375.26608	8.6
399.26855	26.8
417.16702	7.7
417.27795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.05519	13.3
55.51166	2.5
57.03431	7.7
57.07072	6.3
67.05506	62.9
69.07064	9.4
71.08636	3.9
71.58382	3.3
79.05492	16.9
81.07059	80.3
83.08617	10.2
85.06541	3.2
91.05482	12.1
93.07058	19.5
95.08606	70.5
97.06539	3.7
97.10189	3.0
98.98466	99.2
99.08102	3.8
105.07034	13.7
107.08588	13.9
107.14561	3.0
109.06564	3.1
109.10151	35.0
111.08076	5.0
119.08584	15.1
121.10110	15.4
123.08118	4.0
123.11667	16.7
133.10168	13.8
135.11691	8.8
137.09625	3.2
137.13242	5.8
139.19305	3.1
147.11684	8.7
148.41783	2.6
149.13271	5.4
151.14816	8.5
155.01047	100.0
155.17592	2.5
161.13281	6.8
163.14900	5.7
165.16374	3.8
175.14832	8.3
189.16423	4.0
245.22610	24.0
263.23700	55.2
356.48001	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	417.2635
Annotation	2alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate
Peak:m/z	Relative Intensity
53.03955	4.7
55.01863	3.7
55.05268	1.2
55.05514	16.6
55.06106	1.2
57.03426	3.3
65.03945	1.5
67.05507	36.8
69.03442	0.8
69.07070	14.0
70.19419	3.0
71.04990	2.6
77.03934	1.7
79.05496	35.9
79.05957	2.0
81.03403	1.3
81.06576	1.7
81.07061	33.2
83.04971	4.2
83.08636	6.9
85.06531	2.4
91.05481	49.4
93.07050	30.7
95.04993	8.2
95.08613	20.4
97.06528	4.1
97.10200	2.3
98.20889	1.3
98.21397	1.2
99.08060	1.5
103.05453	2.6
105.01204	1.0
105.03376	1.6
105.04530	0.9
105.07033	39.6
107.04981	4.6
107.08601	11.3
109.06532	5.3
109.10171	5.7
111.08078	1.2
111.92293	0.8
115.05445	4.6
116.06205	2.3
117.07027	25.6
119.04939	1.4
119.08580	28.1
120.08920	6.6
121.06530	5.8
121.09267	2.3
121.10155	7.4
123.08057	4.0
125.09607	1.6
128.06216	5.5
129.07007	22.5
130.07788	1.9
131.04955	1.4
131.08577	35.4
132.08974	1.0
133.06497	3.5
133.10118	11.7
135.08063	3.7
135.11688	4.0
137.09627	1.2
139.11243	1.4
141.06981	9.4
142.07759	3.0
143.08568	15.9
144.09343	1.2
145.06477	5.0
145.10121	20.8
147.08034	4.9
147.11722	3.5
149.09631	6.0
153.07053	1.8
154.07797	2.0
155.08519	12.3
156.09337	1.5
157.06546	2.6
157.10130	14.6
158.07355	0.9
159.08083	3.8
159.11707	10.9
161.09592	4.6
161.13257	2.2
163.11157	1.6
165.06967	1.6
167.08540	6.1
168.09358	1.5
169.10103	11.1
171.08105	2.3
171.11696	12.0
173.09633	2.8
173.13290	4.4
174.82022	1.0
175.11234	2.0
177.09085	1.5
177.12723	1.1
181.10092	6.4
183.11688	10.9
185.09633	6.6
185.13275	7.8
187.11198	7.3
187.14818	2.3
189.12703	2.5
193.10120	1.7
195.11687	6.8
197.09663	1.2
197.13213	5.0
199.11183	12.9
199.14894	2.7
201.12776	3.7
201.16382	1.2
203.14371	1.7
207.11673	1.6
209.13280	3.1
211.14854	2.3
213.12785	4.9
213.16336	2.2
215.14224	1.4
219.13922	1.3
221.13318	2.1
221.15283	1.7
223.14902	2.6
225.12769	1.3
227.14319	1.7
231.13905	1.2
233.15398	1.3
241.15855	1.7
245.15404	1.1
259.16980	2.1
265.19376	1.1
279.21112	2.8
283.20761	1.0
289.19522	1.2
297.22125	9.5
299.19861	1.0
307.20615	6.0
315.23218	11.3
325.21622	43.4
326.21982	1.9
333.20947	1.5
343.22647	25.1
361.23813	7.9
371.26117	1.4
389.26855	1.1
399.25226	5.7
417.26379	100.0
418.26688	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
54.44513	0.9
55.05511	8.8
56.05038	2.6
57.03421	1.8
60.04503	1.7
60.56999	0.8
63.81789	1.0
67.05504	1.2
69.03418	1.7
69.07063	9.8
70.06242	1.6
70.06591	21.9
71.06936	1.6
71.57572	1.9
72.08154	96.1
74.06071	3.4
78.50866	0.8
79.05479	3.0
81.07039	2.5
82.06579	1.5
83.04986	1.5
84.04488	5.1
84.08138	7.5
85.02899	4.1
86.09704	100.0
87.10033	1.2
88.03992	8.1
91.05462	3.0
95.04968	1.7
95.06138	1.2
96.08135	2.5
97.02871	4.4
98.02375	1.4
99.38190	1.0
102.05540	2.2
107.04934	1.5
107.08598	2.7
109.06543	1.1
110.07156	4.3
111.04420	1.0
112.07578	3.3
112.08681	1.1
116.07067	5.2
117.06990	1.6
119.04936	1.5
120.08096	4.0
120.60846	1.1
121.02905	1.6
122.07130	1.2
127.03976	1.5
127.08667	2.7
128.07114	1.2
129.10246	4.9
130.05022	1.1
133.06155	1.3
135.08038	4.6
136.07564	6.4
137.07904	1.1
141.06752	1.1
141.10214	4.9
142.08633	4.4
143.00305	0.9
143.11812	4.4
147.04402	2.0
148.05989	2.1
149.09511	1.0
153.09052	1.7
156.10184	8.0
157.13350	1.4
163.07552	4.1
163.11156	1.4
171.07625	1.3
171.11270	3.8
171.14859	2.5
181.08575	2.4
181.12169	1.2
183.11279	2.8
185.16449	1.7
187.10764	13.5
189.12329	19.6
199.09642	1.1
201.12343	37.0
203.13876	13.0
215.10268	11.7
219.13452	2.6
229.11839	23.3
229.15497	2.6
233.11359	1.2
245.11533	1.1
247.12904	4.8
255.12286	3.4
270.18085	1.3
271.62997	1.1
283.16559	1.6
283.22205	1.0
328.18649	3.5
388.13519	1.1
397.93140	1.1
399.16101	1.2
417.17407	3.2
417.24356	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1181
Annotation	Galangin 3-rhamnoside
Peak:m/z	Relative Intensity
51.21338	0.2
65.43610	0.2
66.58273	0.2
67.01862	0.4
68.99807	0.2
69.89113	0.3
69.89513	0.5
70.06578	0.3
76.36572	0.2
78.12562	0.2
78.12994	0.2
81.03396	0.3
85.02908	0.2
86.26954	0.2
91.05463	0.4
93.06998	0.3
105.06995	0.2
114.26046	0.2
119.04948	1.6
121.02856	0.5
145.02832	0.5
153.01840	4.0
163.03885	0.4
167.07048	0.4
170.48003	0.2
171.02869	0.4
187.03885	0.2
229.04970	0.4
243.06467	0.2
271.06006	100.0
272.06348	1.3
417.22891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60741	0.6
55.05516	8.6
56.05032	1.0
56.96579	0.7
57.05812	0.9
58.56845	0.7
60.04516	0.7
61.02917	0.8
67.00170	0.6
69.07073	6.2
69.67896	3.8
70.06599	12.3
72.08157	100.0
73.08492	1.1
74.06083	1.7
79.05453	1.5
81.03449	1.3
81.07053	1.1
84.04506	4.3
84.08141	4.6
85.02905	2.1
86.09709	53.1
88.03998	9.0
91.05502	1.3
93.07036	0.9
96.08141	2.7
97.02905	2.2
98.02423	1.9
98.20719	0.8
98.21281	2.5
102.05548	1.2
107.04971	0.9
107.08607	0.8
110.07170	1.5
110.09690	1.4
113.10765	1.0
116.07115	1.9
119.04906	0.9
120.08109	1.2
129.10263	2.4
130.05037	2.3
133.06145	0.9
135.08072	1.2
136.07603	1.0
138.09143	1.3
139.63104	0.7
141.10245	7.6
142.08665	1.3
143.11812	2.0
147.04527	0.8
148.06099	1.2
153.09039	0.8
156.10210	13.3
163.07600	2.3
166.08720	1.0
171.11319	1.9
171.14890	0.8
181.06610	0.9
181.08679	0.8
183.11339	3.0
184.09784	1.5
185.16513	1.1
187.10851	1.1
189.08733	0.9
189.12352	29.3
199.14542	1.4
201.12358	55.5
203.13954	0.8
213.12109	0.9
213.16068	1.0
215.10301	1.7
219.13492	1.1
229.11839	32.9
237.05646	0.9
243.13655	0.8
247.13023	1.1
255.06474	3.5
255.12312	1.4
259.54788	0.8
273.03000	1.2
282.18250	1.0
283.06265	3.3
283.16718	1.6
328.18707	3.9
341.69031	0.7
399.16519	1.0
417.17377	2.5
417.24139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91306	0.8
74.06056	1.1
79.05486	1.7
88.23493	1.0
92.83686	0.9
95.21119	1.0
98.21066	1.0
105.07051	1.1
107.07365	4.8
120.08109	14.2
121.08913	2.6
130.06520	8.8
132.08104	2.9
144.08134	2.3
174.05568	1.9
217.09029	1.0
218.09726	1.5
219.09254	3.4
220.09988	4.5
221.10690	2.1
223.90654	1.1
233.10785	4.7
234.11502	6.6
235.12291	13.7
249.13860	11.0
251.34064	1.0
279.11258	2.8
287.13736	1.2
293.12784	2.2
294.13638	100.0
295.14117	2.8
416.19772	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01872	1.9
55.05265	0.3
55.05512	4.4
57.07064	0.8
58.99573	0.7
59.82550	0.3
62.88382	0.4
63.91399	0.3
65.03931	0.7
67.05505	9.8
67.05866	0.5
68.99780	0.5
69.03409	0.7
69.07069	5.2
70.06580	0.6
71.04980	1.1
74.00648	0.4
76.02209	1.0
79.05495	13.1
81.03394	0.5
81.06580	0.6
81.07058	12.0
83.04979	1.1
83.08627	2.5
84.08143	0.5
85.02901	0.4
85.06540	0.6
86.09688	0.4
87.02688	0.4
87.04461	0.4
88.03970	0.4
91.05484	6.4
93.07047	17.6
94.06588	0.3
94.08647	0.3
95.04955	1.4
95.08610	8.6
95.09221	0.4
97.06527	1.1
97.10161	1.2
102.53938	0.4
103.05429	0.4
105.00031	0.4
105.04527	0.4
105.07027	7.0
107.01331	1.8
107.04957	0.4
107.07869	0.8
107.08596	13.8
109.06514	1.8
109.10163	4.2
111.02675	0.4
111.04475	0.4
111.08054	0.5
113.04196	0.6
117.07019	2.6
119.08575	4.9
120.08129	0.4
121.02003	0.5
121.02869	10.4
121.06533	0.4
121.10143	6.9
122.02688	2.8
123.08073	1.0
123.11688	1.2
125.04177	0.7
125.09653	0.4
129.06998	1.3
130.06541	0.4
131.08578	2.4
133.06401	0.5
133.10114	4.1
135.08026	1.0
135.11697	8.7
136.06180	0.5
137.09593	0.4
137.13197	0.3
139.11113	0.5
141.06978	0.6
143.08537	1.3
145.06454	1.0
145.10141	1.8
147.08023	0.6
147.11693	4.1
149.02362	0.5
149.09636	0.8
149.13264	5.7
155.08490	0.4
157.06479	0.4
157.10146	1.3
159.11679	1.5
160.48499	0.3
161.06036	0.3
161.09612	0.5
161.13257	2.5
163.11157	0.8
163.14804	1.3
165.12720	0.3
169.06503	0.9
171.11659	1.5
173.04587	0.6
173.05997	6.9
173.13264	1.5
175.14835	0.8
177.09013	0.6
177.12790	0.6
179.14299	0.4
183.02861	0.5
183.04359	0.4
185.13271	1.2
189.12746	0.8
195.13869	0.8
197.05907	0.6
199.14774	0.4
201.05467	1.3
203.14272	0.3
205.12267	0.7
207.13799	1.2
209.15384	0.4
213.16385	0.9
221.15393	1.1
225.05342	0.4
229.04979	6.0
231.21005	0.4
235.16910	1.0
241.19572	1.9
243.06538	0.4
247.13280	0.7
253.04889	0.4
259.20560	4.1
271.05975	0.6
275.20047	0.9
277.21622	43.2
278.21927	1.0
291.17657	1.5
294.13614	1.3
295.22763	1.6
299.05493	100.0
300.05887	3.9
309.18790	2.9
328.15796	0.5
380.22467	1.1
381.20901	1.0
398.23639	5.3
399.21884	1.7
416.11252	9.5
416.24371	2.3
417.11670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80535	1.4
52.14001	1.6
55.01859	3.2
55.05508	4.9
67.05520	15.4
69.07069	5.4
71.04977	2.9
71.15247	2.7
71.46171	1.4
79.05495	10.3
81.07058	10.9
83.08618	2.5
84.08131	1.6
91.05462	12.6
93.07064	9.2
93.35564	1.4
95.04978	3.7
95.08617	6.9
97.06564	2.5
98.20868	1.8
98.21407	1.7
99.52060	1.5
105.07035	9.1
107.04949	2.2
107.08601	3.5
109.06552	2.7
109.10153	2.0
115.05440	2.4
117.07049	8.9
119.08603	5.3
119.68986	1.5
121.06458	2.4
123.08083	1.9
128.06200	6.3
129.07027	13.3
131.08580	10.4
133.06494	2.9
133.10118	2.3
135.08075	2.4
135.11777	1.7
141.07005	6.2
142.07832	1.4
143.08562	8.7
145.06496	2.3
145.10143	5.9
147.08092	2.3
149.09608	2.1
154.07773	1.9
155.08540	9.2
156.09326	2.0
157.10114	6.3
159.08037	2.2
167.08585	4.7
169.10188	7.7
171.08128	2.1
171.11664	5.7
179.08569	2.1
181.10143	4.6
183.02861	1.7
183.11681	5.2
185.09639	4.4
185.13293	2.6
187.11189	1.9
193.10272	2.0
195.11673	4.5
197.09651	1.8
197.13329	3.5
199.11179	6.0
205.54979	1.4
207.11809	2.6
209.13271	2.5
211.11234	3.7
213.12729	2.8
221.13210	2.1
225.12698	4.4
237.12407	1.6
239.14250	3.2
277.19479	3.3
287.17844	1.7
305.19073	2.9
313.21661	3.1
323.20169	10.2
341.21179	14.4
344.97684	2.0
359.22119	2.4
397.23825	2.5
415.24576	43.2
415.29337	100.0
416.24966	2.1
416.29803	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	415.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.05512	12.0
57.03426	6.5
57.07057	4.2
59.26424	1.7
61.06063	1.7
67.05173	2.3
67.05509	43.6
69.07069	12.2
69.55882	3.2
69.56284	8.6
71.04991	2.1
71.08630	2.7
79.05054	3.4
79.05493	45.4
79.33517	1.7
81.07063	58.1
83.08640	8.4
85.06537	3.3
91.05475	26.5
93.07053	52.7
95.04943	4.0
95.08611	43.6
96.43314	1.8
97.06561	2.9
97.10168	4.0
98.20939	5.8
98.98473	74.4
99.08085	2.8
105.07041	17.2
107.08606	42.6
109.06505	1.7
109.10168	19.2
111.08073	2.2
117.07059	8.9
119.08585	23.2
121.10152	36.6
123.08060	1.9
123.10905	1.9
123.11693	9.4
125.09631	2.2
131.08568	21.0
133.10149	13.3
135.11705	24.4
137.09602	2.7
137.13277	3.8
145.10153	17.6
147.11690	11.1
149.09589	3.8
149.13284	26.8
155.01047	88.4
159.11687	15.1
161.13283	11.7
163.14825	14.5
165.12729	1.6
173.13269	16.2
175.14787	3.4
177.16341	2.4
187.14774	9.6
201.16425	2.9
205.15953	2.3
233.22641	5.9
243.21120	34.9
253.87654	1.6
261.22165	100.0
262.22452	4.9
289.91843	1.9
294.13904	2.0
309.59195	1.9
415.22272	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	414.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37045	0.7
53.03943	1.1
55.05494	3.9
57.07071	1.3
67.05508	6.2
68.05031	5.1
69.03423	2.7
69.07063	4.0
70.06594	41.4
71.04990	2.4
71.57719	1.0
79.05486	7.8
80.05005	1.6
81.03400	1.9
81.07059	6.3
83.04977	3.3
83.08613	2.4
84.08128	3.3
85.01113	1.8
85.06532	1.8
85.18838	1.0
87.04455	1.6
91.05490	8.2
93.07042	8.8
94.06572	1.6
95.04946	3.5
95.08618	5.4
96.08104	5.7
97.06520	3.0
98.06092	1.5
100.07620	10.7
105.07033	16.0
107.08589	9.9
108.08113	3.7
109.06521	7.4
109.10159	4.8
114.05540	5.5
116.07108	2.0
117.07057	4.4
119.08585	19.9
120.08092	5.8
120.08861	1.0
121.10149	4.0
122.09655	4.3
123.08070	2.1
124.11204	1.1
125.05999	1.6
125.09610	1.8
128.06213	1.6
128.07072	17.4
129.07034	4.5
130.06505	1.5
130.07788	2.4
131.08580	11.5
132.08070	1.9
133.10124	8.8
134.09647	2.7
135.08005	2.0
135.11734	1.0
136.11214	4.3
137.09654	2.1
142.07771	4.1
142.08754	1.2
143.08548	9.9
144.09268	2.2
145.10117	17.3
146.09645	1.5
147.08037	2.0
147.10538	1.9
147.11691	6.7
148.11223	4.2
151.06290	1.8
151.07463	1.0
154.08646	3.0
155.08569	3.5
156.09312	5.1
157.10135	13.1
158.10895	1.3
159.08011	1.8
159.11722	6.6
160.11171	2.5
162.12804	5.3
163.11147	2.5
165.09146	5.8
166.08765	2.5
167.08633	2.3
168.10217	36.2
169.10175	3.7
170.10927	1.5
171.11697	7.2
173.09715	1.8
173.13226	4.9
175.11177	4.0
178.08632	6.8
181.09964	1.2
181.12274	1.8
182.10892	1.4
183.11725	5.5
185.13272	5.8
186.12758	2.4
187.14885	2.0
190.15988	2.3
191.14156	1.0
192.10201	2.9
193.10358	1.4
194.11862	5.0
195.11743	3.7
196.12442	1.4
197.13239	4.9
198.14088	1.2
199.14867	4.2
203.14354	2.8
209.13284	3.4
211.14937	1.2
215.14378	3.5
221.13315	2.0
221.15352	15.8
223.14873	3.6
230.11783	1.3
232.13496	1.4
234.14896	3.2
244.13219	1.4
246.14986	2.1
256.07535	1.7
258.09161	1.3
258.15125	1.2
265.19537	3.8
272.16556	1.5
281.18976	2.2
283.20432	1.8
298.18073	1.3
299.20126	1.2
301.21695	1.5
312.19638	1.7
340.19009	1.5
352.26306	1.3
356.22305	2.7
370.27386	7.1
396.25272	4.2
414.06201	1.7
414.26416	100.0
415.26776	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	414.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.4
56.05003	0.7
57.07072	1.6
61.52206	0.6
62.59690	0.8
65.03948	0.8
67.05502	6.1
68.05032	4.7
68.06627	0.7
69.03425	2.2
69.07056	2.8
69.93549	3.0
70.06591	46.1
71.04988	1.9
76.85871	0.9
79.05488	6.0
80.05000	1.4
81.07053	7.5
83.04977	2.6
83.08620	2.0
84.08133	2.2
85.02894	1.1
85.06550	2.9
86.06065	0.8
87.04457	1.3
91.05476	8.3
93.07038	10.6
94.06557	2.3
95.04981	3.2
95.08600	4.8
96.08103	4.7
97.06527	2.1
98.06056	2.0
98.21358	1.0
100.07605	12.5
105.07030	18.8
106.06580	1.0
107.08604	8.6
108.08112	2.3
108.08856	0.8
109.06528	5.7
109.10142	4.0
111.08066	0.9
113.05975	0.9
113.09632	0.9
114.05495	5.7
115.05437	1.4
116.06313	1.0
116.07082	3.4
117.07030	4.0
119.04890	1.2
119.08575	20.4
120.01166	0.8
120.08119	6.1
121.06481	1.4
121.10104	4.7
122.09659	3.5
123.08082	3.3
125.05986	0.9
125.09622	1.2
128.06229	2.2
128.07076	17.3
129.06982	4.5
130.07793	2.4
131.08577	10.5
132.08104	1.2
133.08751	0.7
133.09151	0.9
133.10115	6.8
134.09636	3.5
135.08063	2.5
135.11685	0.9
136.11203	3.7
137.09637	2.6
140.07063	1.3
140.10728	0.9
141.07057	1.0
142.07780	5.0
143.08562	11.9
144.09326	2.9
145.10129	19.8
146.02725	0.7
146.09602	1.7
147.08058	2.7
147.10580	1.1
147.11690	5.6
148.11221	4.8
149.09665	1.0
149.12012	1.0
151.06264	1.5
151.07607	0.8
151.11108	0.9
154.08624	3.0
155.08592	3.7
156.09322	5.2
157.10132	14.8
158.09630	1.1
159.08063	1.7
159.11688	6.6
160.11230	2.3
161.09630	1.4
161.13235	1.4
162.12798	4.4
163.11192	2.0
165.07002	1.1
165.09113	6.3
166.08649	2.8
167.08568	2.0
168.10210	38.7
169.10144	3.8
170.10901	1.8
171.11679	8.4
172.12508	1.5
173.09654	1.3
173.13306	3.8
174.12817	0.9
175.11140	4.6
178.08618	8.1
179.14348	1.2
180.10251	1.0
181.10039	1.6
181.12271	1.1
182.10944	2.6
183.11717	5.8
185.13268	4.5
186.12772	1.3
187.14851	1.3
188.14458	1.0
189.12767	0.9
190.15910	2.8
192.10268	4.1
193.10011	1.1
194.11890	5.9
195.11665	4.0
195.17641	0.8
197.13277	5.2
199.11214	1.0
199.14818	2.9
203.14253	3.6
206.11723	1.5
207.13847	1.1
208.12599	0.9
209.13283	4.4
211.14882	1.1
212.14458	1.2
213.16469	1.1
215.12448	0.7
215.14230	3.5
218.11781	0.8
221.13544	0.7
221.15356	18.5
223.14835	3.5
225.16328	1.0
227.14296	1.0
230.11899	1.0
231.12500	0.9
232.13374	1.9
234.14902	3.2
237.16391	1.0
239.17850	0.7
240.17493	1.2
241.15833	1.0
244.13324	1.8
246.14830	2.3
256.13303	1.0
258.14969	2.5
259.15536	0.8
260.16565	0.9
265.19507	3.1
281.19180	0.8
298.18018	1.5
299.19998	2.6
301.21542	1.9
312.19757	2.0
313.20453	1.5
313.26074	0.8
352.26166	0.8
356.22159	2.7
370.27399	6.8
396.14594	1.2
396.25482	4.7
414.26382	100.0
415.26532	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	413.1417
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05042	1.1
68.52333	0.4
69.07050	0.5
70.06595	4.2
71.01390	0.3
71.04729	0.7
72.08147	1.2
74.06078	1.9
79.16714	0.4
84.04501	0.6
84.08166	0.8
86.09706	0.8
89.70664	0.4
102.05559	1.1
116.07103	0.7
119.03543	2.9
119.04903	0.5
120.06574	8.6
129.10324	0.4
136.06190	100.0
137.04626	2.0
137.06531	0.5
145.02856	0.4
147.04395	0.5
150.34941	0.4
162.04118	59.9
163.04376	0.4
177.05487	0.5
183.65149	0.6
211.14703	0.4
268.10419	1.2
281.09933	50.7
282.10156	1.1
293.68405	0.5
377.08038	0.4
412.74820	0.6
413.24310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.5
57.03439	1.5
57.07073	1.6
67.05484	4.9
68.05014	4.0
69.03442	2.3
69.07067	4.1
70.06594	45.7
71.04969	2.3
71.58614	1.6
77.45223	1.2
79.05093	1.1
79.05480	7.0
81.07050	5.2
83.04975	1.4
83.08635	2.4
84.08138	3.5
85.02904	1.8
85.06530	1.6
87.04448	1.4
91.05485	9.2
93.07037	10.6
94.06541	2.5
95.04945	2.5
95.07298	1.2
95.08596	5.2
96.08132	5.7
97.06519	5.6
97.13236	1.0
98.06040	1.5
100.07620	12.0
105.07024	16.5
107.04904	1.4
107.08588	10.6
108.08102	2.2
109.06523	8.5
109.10168	4.6
110.09707	1.6
114.05521	5.4
116.07074	3.8
117.07020	5.3
119.08570	18.4
120.08102	5.6
121.10134	6.2
122.09659	4.2
123.08059	3.3
127.33907	1.3
128.06267	2.1
128.07091	18.8
129.06999	4.5
130.06569	1.7
130.07796	1.7
131.08571	10.9
133.10118	5.7
134.09647	4.4
135.08043	3.1
135.11655	1.2
136.11195	4.4
137.09587	2.2
141.06937	2.1
142.07765	4.7
142.08748	1.6
143.08580	10.3
144.09335	2.7
145.06509	1.3
145.10127	17.0
146.09648	1.3
147.08049	4.7
147.11699	4.7
148.11166	5.2
149.09622	2.8
151.06270	1.7
155.08533	4.0
155.10663	1.4
156.09348	4.1
157.01109	4.0
157.10114	14.2
159.08064	1.9
159.11685	5.0
160.11299	1.8
162.12785	4.7
163.03947	2.2
163.11182	5.3
165.09093	6.8
166.08684	4.0
167.08534	1.9
168.10213	37.2
168.11674	1.8
169.10161	3.7
171.11726	6.6
173.09766	1.3
173.13277	4.9
175.11226	5.4
178.08615	6.8
181.12257	1.9
182.10863	2.2
183.11757	4.7
185.13264	4.4
186.12785	2.1
187.14796	2.1
190.15903	4.0
192.10228	2.6
193.10143	1.9
194.11743	3.4
195.11707	3.5
197.13309	5.8
199.14818	3.6
201.12802	1.7
203.14391	3.9
206.11861	1.6
209.13257	2.8
215.14366	2.3
221.15343	18.0
223.14812	5.0
225.16412	1.7
232.13342	2.7
234.14873	2.5
241.15938	1.5
246.14961	3.0
259.09811	1.8
259.15955	1.4
260.16415	1.5
265.19617	3.5
299.20001	1.9
301.21613	1.8
312.19693	2.0
317.11276	2.4
339.86420	1.6
352.26346	2.2
356.22064	2.3
370.27460	7.6
396.25482	4.7
402.36160	1.2
414.26416	100.0
415.09805	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15235	0.5
53.03934	0.7
53.31295	0.6
55.01865	1.0
55.05507	9.6
57.03439	3.9
57.07052	2.6
66.37573	0.5
66.47984	0.5
67.05508	12.4
69.06727	0.8
69.07069	11.4
71.03503	1.6
71.04967	1.7
71.08633	7.5
73.53860	0.6
75.04443	0.7
78.96460	0.5
79.05492	9.2
81.07056	19.7
83.04976	1.5
83.08612	6.1
85.06525	2.4
91.05482	3.4
93.07046	12.3
94.27116	0.6
95.04974	5.0
95.08604	16.1
97.06528	5.3
97.10131	1.7
98.21069	0.9
99.08094	4.3
105.07014	5.7
107.07951	0.9
107.08598	11.2
109.06520	25.8
109.10143	7.0
111.08035	1.1
116.51675	0.7
117.06988	0.7
119.08591	5.0
121.10134	4.9
123.08085	3.3
123.11668	2.2
131.08516	1.0
133.10109	2.6
135.11662	2.7
137.09633	0.7
143.08557	0.6
145.10176	1.1
147.11699	2.7
149.13229	1.8
151.11194	1.5
153.12781	1.4
159.11696	0.9
161.13257	1.9
163.14841	1.3
165.12749	23.1
179.14284	1.7
221.18971	3.7
263.20050	5.9
280.34085	0.6
282.10757	0.6
301.25259	0.7
319.26306	100.0
320.26675	3.2
337.27350	13.5
349.27283	0.7
375.29056	1.0
393.30008	4.3
411.31015	24.0
411.36511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1988
Annotation	diflorasone
Peak:m/z	Relative Intensity
50.28771	0.6
55.05489	0.6
56.05019	1.1
57.03435	0.6
57.94654	0.6
61.01145	0.6
69.80238	1.2
69.80647	2.7
70.06589	3.4
72.08142	1.7
77.48833	0.5
78.35453	0.5
79.89908	0.5
81.03454	1.5
84.04515	1.3
84.08157	2.0
85.02921	0.8
86.09715	1.4
87.64802	0.6
91.05433	1.1
93.07022	0.6
98.06059	0.7
98.20744	0.6
104.05290	0.7
107.08592	1.3
114.09160	1.6
118.91925	0.7
119.08636	0.5
120.08090	1.6
121.10161	0.8
124.77091	0.6
130.06558	0.9
135.11729	0.9
136.06183	5.4
136.07552	1.6
137.07935	1.0
137.23836	0.7
139.43294	0.6
141.48740	0.6
146.06364	0.9
152.05661	3.2
153.06030	1.1
162.03728	0.7
163.03958	1.7
192.91728	0.5
195.88339	0.6
201.09076	0.7
203.05272	7.4
231.13539	1.7
249.12616	0.6
252.10568	1.0
279.85294	0.6
291.13705	2.6
411.19873	100.0
412.20212	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.0
64.82608	0.5
70.06571	0.9
70.73890	0.5
70.74224	1.1
84.04470	0.7
88.15563	0.5
88.89711	0.5
91.05494	0.8
105.06985	0.5
115.05459	4.1
118.84856	0.6
131.04968	0.8
133.05296	0.5
133.06444	1.5
143.04922	11.3
147.04369	1.5
152.06215	0.6
161.05997	17.2
167.08585	0.5
175.03888	1.2
176.04683	3.0
177.05461	3.8
185.09641	0.6
189.05470	100.0
190.05859	1.4
203.03468	0.8
213.09184	1.2
215.07002	0.5
231.10167	22.0
259.09637	1.8
301.58810	0.6
335.58029	0.5
410.25171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70466	0.5
56.05034	3.2
60.04523	13.4
69.04546	2.0
69.50449	0.4
70.02960	1.7
70.06593	1.0
70.74773	1.3
74.06074	7.8
84.04488	1.9
91.05494	0.9
93.07035	1.5
98.06034	1.2
98.20975	0.7
99.05566	3.5
102.05540	4.8
103.05462	5.4
106.05003	0.5
106.09750	0.5
109.59166	0.5
114.05521	0.5
116.07085	1.1
117.06611	1.9
117.45315	0.4
120.06691	17.0
120.08099	100.0
121.08439	1.4
125.07100	1.5
126.05522	0.6
127.04995	0.5
127.08638	0.4
130.05003	2.9
132.08089	2.4
143.08090	1.2
144.06558	0.7
145.06096	5.2
160.06073	2.2
161.09166	1.0
170.73936	0.5
171.07642	15.5
177.10205	8.4
189.08698	23.1
190.09125	0.6
199.83798	0.5
200.10364	0.8
203.30498	0.4
205.09715	15.5
207.09761	12.6
207.11707	0.6
228.09752	6.8
246.10681	6.3
247.10818	0.6
261.83801	0.5
264.11591	0.7
274.11877	1.2
292.12918	8.7
331.81512	0.5
357.15479	1.7
375.16605	4.7
375.58408	0.5
382.01495	0.5
384.64102	0.5
393.17694	4.2
411.18732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01864	3.2
55.05304	1.4
55.05516	15.4
57.03423	6.4
57.07080	6.5
63.30174	1.4
67.05508	25.8
69.03424	5.2
69.07069	23.6
71.04990	3.1
71.08627	13.8
73.75156	1.4
79.05500	16.3
81.06574	2.3
81.07057	39.8
83.04980	2.5
83.08628	7.0
85.02878	2.1
85.06538	3.9
91.05489	15.1
93.07044	22.5
95.04974	9.8
95.08611	31.4
97.06522	6.4
97.10197	2.1
98.21326	6.1
99.08086	12.6
105.07037	20.0
107.08603	19.5
109.06525	28.3
109.10171	12.6
111.08090	2.7
112.56564	1.2
117.07035	2.4
119.08607	15.3
121.06525	9.9
121.10138	10.8
123.08044	4.6
123.11678	4.5
125.09609	2.6
130.06479	2.3
131.08565	6.5
133.10149	12.2
135.08089	6.6
135.11699	6.9
139.11186	4.7
145.10155	6.9
147.08069	1.5
147.11676	7.3
149.09622	3.2
149.13275	5.5
151.11205	2.0
157.10147	2.1
159.11694	6.0
161.09688	2.0
161.13269	4.4
163.03944	2.4
163.11185	4.3
163.14871	2.5
164.04248	1.4
165.12769	36.6
172.59698	1.4
173.13197	2.7
175.14891	2.5
177.12758	5.4
179.14268	2.4
189.16417	3.4
191.14258	2.8
205.15877	1.6
208.06894	3.1
209.19000	9.6
219.17470	2.4
224.58707	1.4
229.23578	1.8
237.18527	2.3
261.18411	1.6
271.24292	2.0
275.20151	2.2
279.19714	2.2
279.26874	2.7
289.25266	39.1
299.23792	1.7
307.26318	3.8
317.24759	100.0
318.25150	2.6
335.25800	49.8
335.83719	1.7
336.26065	1.9
391.28470	30.0
409.25421	17.6
409.29465	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	410.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.05505	1.5
67.05495	1.7
69.07057	1.6
70.06593	15.0
71.58543	2.3
77.03915	1.5
79.05486	4.5
81.07056	3.5
88.07603	1.8
89.65206	1.1
91.05467	3.2
93.07038	2.6
95.04964	2.7
95.08659	1.3
97.06524	3.8
101.04255	2.6
103.05469	43.3
105.07044	2.2
107.04947	2.6
117.05801	1.3
118.06548	22.5
119.08607	1.4
121.06512	1.6
127.22248	1.0
128.19037	1.3
130.06531	29.5
131.04930	82.2
132.05324	1.4
133.22096	1.3
135.04391	1.1
149.02354	2.9
149.05992	4.1
159.04416	81.2
160.04785	1.6
163.03830	1.6
177.05470	70.0
193.04973	3.4
200.07034	1.2
200.20108	4.2
213.09102	3.0
215.07005	2.6
224.58549	1.3
230.09782	2.2
237.07570	4.3
248.10706	1.4
258.09192	7.7
259.09589	7.2
262.18158	1.6
276.10190	100.0
277.10507	3.4
281.04532	3.8
290.17603	1.4
294.11349	1.3
375.10858	2.8
392.22009	3.4
410.12277	13.2
410.17838	2.5
410.22949	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	409.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95577	0.8
53.03924	0.9
54.17874	0.8
55.01869	7.7
55.05510	10.1
55.60774	0.9
57.03423	3.9
57.07066	4.1
57.10124	0.9
67.05165	1.4
67.05506	17.3
68.37406	0.8
69.03413	1.3
69.06721	1.0
69.07073	15.5
69.90542	3.2
69.90948	2.0
71.04994	1.8
71.08617	3.5
79.05499	9.9
81.07056	28.2
83.04971	3.1
83.08612	4.1
85.06522	1.7
85.75745	0.9
89.06024	2.1
91.05483	9.3
93.07039	17.1
95.04980	12.4
95.08600	16.4
97.06531	9.1
97.10161	1.5
99.08096	1.7
105.07036	14.0
107.08601	12.7
109.06516	43.7
109.10158	6.2
111.08086	1.1
117.07016	1.8
119.08580	10.8
121.06505	14.2
121.10142	6.7
123.08073	2.9
123.11669	3.0
131.08537	4.8
133.10112	6.4
135.08047	5.9
135.11688	4.2
137.09657	1.6
137.13237	1.7
143.08546	2.0
145.10146	9.7
147.11690	4.7
149.09637	3.0
149.13235	2.5
159.11716	3.1
161.09688	1.4
161.13321	3.0
163.11197	11.9
165.12755	40.2
173.13235	1.2
175.14885	1.1
179.14426	1.0
185.13155	1.3
186.43652	1.0
187.14738	1.0
191.14328	3.3
205.15837	1.3
219.17404	3.3
233.18994	1.6
242.59882	1.1
249.18620	2.6
261.18536	3.1
279.19543	3.4
289.25226	13.3
299.23621	2.1
317.24756	100.0
318.25021	2.7
324.95056	1.0
335.25784	20.9
336.25909	1.3
347.25928	1.2
353.23343	1.8
391.28381	4.5
409.29492	61.5
410.30023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.1
55.05516	10.7
57.03443	4.8
57.07074	5.3
65.03941	1.8
67.05506	18.7
67.37673	1.0
69.03425	1.7
69.07064	15.5
69.90303	5.0
70.73099	0.9
71.04989	2.1
71.08622	3.5
79.05498	10.4
81.07059	26.4
83.04974	1.5
83.08601	5.1
84.23997	1.1
85.06562	2.4
91.05476	8.4
92.07715	0.9
93.07053	17.4
95.04969	16.7
95.08600	17.0
97.06535	9.3
97.10168	1.7
98.20751	2.0
99.08105	3.5
105.07034	15.9
107.04953	1.4
107.08599	10.7
108.05684	1.1
108.43492	0.9
109.06522	51.0
109.10155	6.9
111.08066	2.6
117.07015	1.4
119.08588	11.3
121.06525	13.2
121.10155	7.1
123.08071	5.6
123.11722	3.2
130.19652	1.1
131.08574	6.2
133.10159	5.6
135.08064	4.7
135.11697	3.2
137.09598	1.6
145.10123	7.4
147.08080	1.1
147.11729	5.1
149.09677	3.1
149.13272	1.8
151.11206	1.8
159.11719	4.3
161.13223	2.1
163.11215	10.4
165.12758	49.0
167.14325	1.2
173.13313	1.7
179.14340	2.4
189.16121	1.2
191.14388	4.0
199.14999	1.2
201.16283	1.5
203.14334	1.3
219.17493	3.2
220.39177	1.1
233.19119	1.3
243.17540	1.5
247.20799	1.3
249.18504	4.0
261.18411	5.4
279.19598	2.8
281.06912	1.0
289.25269	13.0
299.23764	2.3
317.24756	100.0
318.25003	2.3
335.25824	19.3
335.29425	1.9
353.23309	1.6
372.78226	1.1
373.27728	2.0
391.28568	6.2
402.78418	1.1
409.29510	65.3
410.29834	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01871	1.7
55.05513	15.7
57.03437	11.8
57.07085	5.8
58.77300	1.0
59.37572	0.9
62.66752	0.9
64.55853	0.9
67.05166	1.4
67.05506	19.2
67.56725	1.0
69.03433	5.0
69.07069	20.9
70.01888	3.5
71.04980	3.1
71.08633	58.8
79.05495	12.9
81.07062	31.2
83.04971	2.4
83.08620	8.2
85.06552	2.2
91.05476	11.7
93.07047	18.3
95.04977	8.2
95.08606	22.1
96.27966	1.1
97.06525	7.0
97.10196	1.8
98.20758	0.9
99.08092	41.7
105.04616	0.9
105.07033	16.2
107.04884	1.0
107.08603	15.4
108.52477	0.8
109.04973	1.0
109.06519	25.8
109.10146	7.3
109.31821	0.8
111.08099	4.1
116.22503	1.0
117.06991	2.7
119.08569	13.1
121.06485	6.0
121.10162	9.0
123.08060	4.1
123.11699	4.6
125.05975	1.6
131.08562	5.9
133.10147	8.4
135.08072	3.5
135.11678	5.2
137.09662	1.9
137.13295	1.7
139.11168	3.7
140.10139	1.0
141.12738	1.4
143.08551	2.0
145.10097	8.5
147.08012	1.1
147.11696	5.7
149.09639	3.8
149.13286	3.7
151.07539	1.5
151.11189	1.9
153.12747	1.1
157.10159	2.0
159.11694	4.0
161.09660	1.3
161.13292	2.9
163.11195	3.9
163.14789	1.5
165.09140	1.8
165.12769	46.0
167.10742	1.7
173.13304	2.3
175.11215	1.4
175.14844	2.4
177.12743	2.2
179.14301	1.4
183.11647	1.0
191.14293	1.5
201.16437	3.1
203.14223	1.6
209.18922	4.5
219.17517	3.3
221.15463	3.0
237.18494	2.8
261.18649	1.6
275.23816	1.7
279.19485	8.8
279.26822	3.3
289.25235	28.1
299.23761	2.9
307.26358	3.8
317.24835	33.5
335.25793	100.0
336.26257	2.4
409.29501	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.3
55.05511	8.2
57.03432	3.4
57.07070	3.0
67.05511	13.9
69.07076	13.0
70.77129	2.9
71.04984	1.9
71.08622	4.3
75.04473	1.4
79.05494	13.6
81.07062	24.6
83.04990	2.7
83.08628	5.6
85.06532	1.8
91.05489	7.3
93.07050	15.0
95.04979	13.0
95.08601	15.4
97.06532	8.2
99.08111	2.5
105.07029	11.7
107.08589	10.2
109.06522	46.9
109.10166	6.2
111.08084	1.4
117.07037	2.0
119.08576	8.6
121.06521	13.3
121.10160	6.3
123.08079	3.8
123.11714	2.5
131.07619	1.0
131.08505	5.2
133.10167	7.5
135.08057	4.7
135.11722	4.8
137.09647	1.5
143.08556	1.4
145.10097	5.7
147.11671	5.3
149.02277	1.0
149.09599	2.8
149.13313	2.9
151.11153	1.1
159.11737	4.7
161.13310	2.8
163.11188	11.1
165.12775	40.0
169.10104	1.3
173.13246	1.1
177.12830	1.5
179.14386	1.6
187.14740	1.1
191.14326	4.3
201.16342	1.9
219.17462	1.8
233.19048	1.3
249.18515	2.0
261.18491	3.4
268.12146	1.1
279.19543	3.0
289.25253	14.2
299.23300	1.2
317.24774	100.0
318.25015	3.1
335.25827	20.3
353.23019	1.3
391.28412	3.8
409.29498	59.7
410.30063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.4
55.01868	7.0
55.05512	20.8
55.41574	2.1
57.07065	7.3
57.27032	2.1
58.44880	2.2
59.05006	4.7
63.03819	2.0
63.80120	2.3
65.03944	3.8
67.05227	2.4
67.05514	29.0
68.95173	2.2
69.03410	6.6
69.07079	11.6
71.05004	3.4
71.08631	2.7
71.32033	3.3
72.08154	4.4
74.42319	2.6
79.05491	28.2
79.24525	2.0
81.03377	2.6
81.07065	48.0
83.04973	6.8
83.08596	6.4
84.08151	6.5
85.06534	5.7
91.05486	41.4
93.07053	38.7
95.04371	2.7
95.04977	53.1
95.08616	33.0
97.06525	13.1
97.10220	2.4
98.97803	2.2
99.08133	2.9
103.05424	2.6
105.07036	100.0
107.04978	2.6
107.08611	31.8
109.06534	30.9
109.10148	11.8
109.79281	2.2
111.08078	5.0
112.45938	2.0
115.05491	3.1
115.81886	2.2
117.07002	13.6
119.07793	4.6
119.08587	60.7
121.06511	17.1
121.10159	17.3
123.08049	8.5
125.06013	4.0
125.09585	3.0
128.06233	5.4
129.06975	8.6
130.07788	5.2
131.08566	21.5
133.06491	7.9
133.10143	19.0
135.08022	10.2
135.11685	6.2
137.05978	3.1
137.09593	5.1
141.06990	6.4
142.07790	12.5
143.08592	18.5
144.09344	4.3
145.10139	37.3
147.08040	12.1
147.11693	43.7
149.02277	2.7
149.09579	7.6
151.07570	10.8
153.06990	2.4
155.08583	7.3
156.09357	5.4
157.10141	19.9
157.25340	2.6
159.08063	6.5
159.11710	11.6
161.09634	4.4
161.13232	4.3
163.11214	8.0
165.09097	19.1
165.12746	28.6
167.03526	5.0
167.08603	3.1
168.09341	4.0
169.10126	7.4
170.32776	2.0
171.11642	8.0
173.09633	5.7
173.13245	7.1
175.11192	25.0
178.09920	3.7
181.10091	3.9
183.11699	9.3
185.09573	4.3
185.13240	4.8
187.11209	4.2
187.14761	4.4
189.12794	4.5
191.14337	5.3
193.10123	4.1
193.47258	2.3
195.11768	4.1
197.13239	4.0
201.12756	5.5
203.14314	8.4
207.11749	4.6
207.13699	5.0
209.13300	5.6
211.02530	2.0
211.14778	3.3
213.12822	2.6
216.15213	3.2
219.13780	3.6
219.17497	3.0
221.13326	2.6
221.15355	33.6
223.14748	2.9
225.16341	2.2
229.15929	4.6
233.15367	3.4
234.16167	17.0
239.14375	2.9
241.15956	2.7
253.15852	5.4
269.07938	2.9
287.20056	6.4
289.25143	4.8
300.20752	3.8
317.24771	39.6
329.21106	3.6
335.25766	12.4
391.26102	3.6
409.27957	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
52.99302	1.8
53.03946	5.4
55.05512	18.8
57.03439	2.2
57.07069	10.1
59.05003	3.6
64.64635	2.2
65.03947	2.4
67.05507	26.5
69.03435	9.7
69.07077	9.6
71.04981	1.9
79.05503	21.8
81.07062	38.5
83.04974	5.2
83.08624	2.9
85.06514	3.1
85.99507	1.8
89.06055	2.3
89.76180	1.9
91.05493	37.4
93.07043	48.8
95.04361	2.5
95.04978	51.2
95.08621	31.0
97.06541	11.1
97.88361	1.7
98.20943	10.1
98.21616	3.4
103.05476	5.1
105.04558	2.2
105.07038	100.0
105.75425	1.7
107.08598	26.5
109.06518	15.2
109.10162	34.5
115.05500	4.1
117.07048	14.5
119.08592	65.6
121.06517	17.0
121.10158	16.6
123.08072	21.7
127.11174	3.8
128.06221	5.2
129.07008	11.3
130.07802	6.8
131.08586	25.8
133.06494	6.3
133.10152	24.0
135.08069	14.1
135.11717	5.4
136.63593	2.4
137.09639	8.7
141.06984	3.6
142.07831	13.7
143.08583	18.3
144.09322	4.6
145.06493	4.5
145.10127	41.7
146.10651	2.2
147.08058	17.4
147.11699	33.7
149.09657	13.5
151.07544	26.8
153.07016	3.5
153.09079	2.4
154.07748	3.4
155.08601	10.2
156.09351	6.2
157.10133	27.0
159.08044	7.8
159.11690	16.8
160.08824	3.6
161.09706	9.3
161.13226	5.1
163.11203	6.0
165.07059	2.9
165.09134	33.1
166.07899	2.5
167.08580	5.1
168.09358	6.6
169.10146	16.8
170.10973	2.9
171.11681	12.6
173.09683	3.5
173.13255	6.7
175.11189	21.0
177.09122	5.5
180.09357	2.5
181.10130	5.7
181.12317	3.1
183.11679	15.0
185.09525	2.3
185.13290	7.2
187.11200	4.6
189.12775	7.1
191.14223	2.7
193.10194	3.3
194.10847	3.6
195.11716	4.0
196.12454	3.2
197.13232	4.6
199.11322	2.8
199.14812	2.7
201.12796	8.9
201.16354	3.8
203.14325	14.3
207.13835	7.8
209.13255	3.5
209.15340	2.8
211.14890	5.5
213.12756	2.9
215.14252	2.7
216.15109	3.9
219.13805	3.9
221.15392	62.2
221.17587	3.7
223.14890	3.2
229.15868	5.8
231.13818	2.8
233.15399	4.3
234.16037	12.6
235.14876	2.3
239.14543	2.6
241.15846	2.7
253.16077	2.0
286.19153	3.3
287.20105	10.0
299.19861	3.2
300.20956	2.6
329.21106	5.2
391.26190	10.7
409.27365	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.05513	18.3
55.62998	2.1
57.07067	6.0
59.04996	3.8
65.03942	2.3
67.05502	15.1
69.03420	5.0
69.07072	4.4
70.71401	2.5
70.71726	3.4
75.32452	1.9
79.05502	18.1
81.07056	27.5
83.04991	3.5
90.78539	1.8
91.05480	29.9
93.07049	37.2
95.04968	48.5
95.05556	3.8
95.08604	23.7
97.06532	7.8
98.20985	2.1
103.05451	4.7
105.07034	100.0
105.07751	4.7
107.08601	22.1
109.06518	12.1
109.10156	5.8
111.04359	1.9
115.05473	1.9
117.07010	11.5
119.04951	2.1
119.08586	57.2
121.06505	14.0
121.10141	8.7
123.08080	16.8
128.06210	4.5
129.07007	8.1
130.07816	2.1
131.08557	14.5
133.06497	3.4
133.10135	17.9
135.08049	13.4
135.11717	3.6
137.09639	6.7
139.58076	2.1
141.07025	2.7
141.85423	2.3
142.07788	12.1
143.08566	10.8
144.09340	4.0
145.06448	2.3
145.10130	33.5
147.08038	16.6
147.11682	37.8
149.09622	9.9
151.07532	14.5
153.09135	4.4
155.08582	6.4
156.09384	3.7
157.10092	19.3
159.08047	5.3
159.11703	13.8
161.09592	7.2
161.13309	4.4
163.11160	3.8
165.09117	32.5
167.08572	3.1
168.09373	2.2
169.10100	11.2
170.10902	1.9
171.11717	7.6
173.09680	4.5
173.13268	6.5
175.11176	30.4
175.14763	1.9
177.09088	3.8
178.09877	2.8
179.08476	2.4
181.10104	5.5
183.11647	8.9
185.13338	3.1
187.11183	3.8
187.14830	2.4
189.12767	4.6
190.78853	2.1
195.11690	2.3
201.12714	8.8
203.14331	13.7
207.11763	2.3
207.13763	7.1
209.13252	3.9
209.15334	3.5
211.14847	4.5
215.14311	2.4
219.13831	7.2
221.13431	2.3
221.15359	60.0
229.15785	2.9
231.13832	2.3
234.16188	18.6
268.06516	2.2
286.19531	2.7
287.19995	6.3
300.20831	4.6
329.21109	5.0
391.26135	5.5
409.27417	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42450	1.6
53.03935	5.1
55.05510	15.7
57.03421	2.1
57.07072	6.0
57.52392	1.5
59.05004	2.9
65.03938	2.2
67.05506	14.5
68.77958	1.3
69.03426	6.2
69.07056	5.3
69.75961	8.7
71.04972	1.7
79.05498	17.8
79.22133	1.4
81.03412	2.5
81.07055	27.0
83.04977	4.9
85.06542	3.5
91.05484	40.9
93.07047	39.4
95.04974	49.5
95.08614	20.3
97.06522	6.3
103.05499	2.9
105.07032	100.0
107.08597	24.3
109.06537	10.4
109.10154	6.4
111.08077	3.7
112.46285	1.6
115.05465	4.5
116.06216	1.6
117.07024	11.5
119.04961	2.7
119.08582	66.0
121.06492	14.5
121.10138	11.9
123.08071	18.6
128.06215	3.9
129.07005	8.9
130.07790	6.5
131.08574	21.0
132.25615	1.4
133.06512	5.7
133.10135	17.9
135.08060	13.9
135.11664	3.1
137.09595	8.6
141.06993	4.6
142.07774	13.7
143.08578	14.3
144.09340	4.8
145.10117	36.7
146.10817	1.9
147.08057	15.2
147.11700	44.6
149.09612	12.7
151.07530	15.6
153.07050	2.1
154.07735	1.8
155.08546	10.0
156.09360	3.1
157.10135	21.3
159.08052	4.9
159.11705	14.2
160.08855	2.3
161.09639	8.1
161.13248	3.4
163.07495	1.8
163.11182	5.9
165.09119	29.6
167.08560	3.3
168.09326	4.3
169.10109	7.3
171.11720	6.6
173.09671	4.3
173.13225	7.3
175.11186	28.9
175.14899	2.1
177.09137	6.0
178.09959	1.6
181.10063	4.4
181.12195	1.9
182.10913	1.9
183.11694	11.2
185.13289	4.2
187.11131	4.5
189.12733	6.3
193.10185	2.2
195.11752	2.7
196.12520	2.5
197.13249	3.0
199.11172	3.4
199.14909	1.9
201.12805	9.3
201.16455	2.5
203.14343	13.2
207.11748	3.3
207.13779	6.9
209.13264	3.3
209.15207	3.0
211.14835	5.4
213.12704	3.3
215.14328	2.1
219.13802	5.9
221.13391	2.6
221.15349	58.6
223.11023	1.6
223.14839	2.1
225.16272	2.2
229.15907	3.5
231.13773	2.5
233.15346	3.9
234.14049	2.3
234.16161	18.4
235.16592	1.9
255.17862	1.6
269.19141	2.2
270.98981	1.7
271.16925	1.6
286.19363	3.6
287.20016	6.3
300.20853	4.6
307.06015	1.5
329.21030	5.1
391.26236	5.8
409.27304	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73577	2.1
53.03942	3.4
53.95522	1.6
55.05513	16.8
57.07071	8.0
59.04995	2.2
60.31378	1.5
64.39176	1.6
67.05504	16.7
69.03423	9.2
69.07069	9.1
69.54092	12.4
72.98455	1.7
79.05498	21.1
81.07059	31.0
83.04989	4.6
83.08629	2.8
85.06546	4.6
91.05484	44.6
93.07046	46.8
95.04974	50.4
95.08612	30.6
97.06539	7.0
98.20734	2.7
103.05434	4.1
105.07033	100.0
107.08589	25.3
107.41939	2.1
109.06528	11.8
109.10171	7.4
109.45725	1.8
111.08109	3.4
115.05461	4.5
117.07028	9.9
119.04942	3.7
119.08580	62.4
121.06522	17.7
121.10162	16.7
123.08060	21.0
123.11684	2.3
128.06223	5.9
129.07007	8.0
130.07750	3.0
131.08586	21.5
133.06453	4.7
133.10127	20.3
135.08080	15.3
135.11719	4.1
137.09624	9.2
141.07010	4.5
142.07777	11.9
143.08562	14.6
144.09354	4.6
145.06541	2.2
145.10117	36.1
146.10783	2.2
147.08044	18.2
147.11687	39.1
149.09665	11.4
151.07552	20.8
154.07800	3.4
155.08568	7.2
156.09325	5.5
157.10121	19.9
158.10831	2.2
159.08044	5.3
159.11714	15.0
161.09633	9.3
161.13260	3.3
163.11209	5.9
165.09114	32.5
167.08530	3.7
168.09326	6.5
169.10204	12.9
170.10901	2.7
171.11679	8.7
173.09665	7.1
173.13315	7.6
174.10347	2.0
175.11189	23.3
175.14793	2.0
177.09109	6.4
181.10136	4.5
182.10959	3.2
183.11652	10.6
185.13242	4.9
187.11218	6.0
189.12724	6.5
191.14270	2.3
193.10107	3.5
195.11612	4.6
196.12338	3.0
197.13324	4.3
199.14815	3.9
201.12762	9.1
203.14330	17.3
207.11815	4.3
207.13838	7.5
209.13318	3.9
209.15271	3.4
211.14893	6.8
213.12846	3.0
219.13828	7.4
221.13326	2.9
221.15346	66.8
227.14368	2.6
227.17995	2.4
229.15875	4.9
230.55391	1.8
231.13791	4.6
233.15388	3.0
234.16129	17.9
235.14990	2.2
239.14192	2.0
253.15799	3.9
286.19336	4.1
287.20148	10.0
299.20148	2.3
300.20822	4.6
313.21796	2.4
329.21088	7.8
343.38553	1.9
391.26163	6.3
409.21732	2.5
409.27301	47.8
410.27731	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90550	1.5
52.07992	1.7
53.03937	5.1
55.05513	21.3
57.07072	5.8
57.71430	2.0
59.04996	2.9
65.03914	1.9
67.05500	19.4
69.03412	6.6
69.07066	7.2
71.03259	4.9
79.05493	21.6
81.03416	3.1
81.06582	2.2
81.07054	31.2
83.04979	3.5
85.06562	4.3
91.05482	34.3
93.07047	48.1
95.04972	55.5
95.08608	28.5
97.06510	9.0
99.96114	2.0
103.05489	5.2
105.07037	100.0
106.07346	2.4
107.08604	23.7
109.06508	12.9
109.10154	7.5
111.08099	2.0
115.05485	4.2
116.06258	2.3
117.07018	14.8
119.08586	57.3
121.06495	18.3
121.10154	17.1
123.08068	14.7
125.49931	1.7
128.06213	6.9
129.07022	10.4
130.07790	3.9
131.08574	20.4
133.06490	4.5
133.10130	19.5
135.08038	14.2
135.11728	5.4
137.05946	2.1
137.09625	8.6
141.06985	3.8
142.07774	12.2
143.08548	19.1
144.09326	6.5
145.06477	3.1
145.10121	35.5
146.10809	2.1
147.08073	13.9
147.11688	38.8
149.09647	9.8
151.07562	19.1
153.09103	3.0
155.08522	7.8
156.09326	7.8
157.10139	20.8
158.10962	2.6
159.08043	4.5
159.11719	14.0
160.08765	2.3
161.09587	9.5
161.13261	3.5
163.11163	5.9
165.09140	29.2
167.08600	3.1
168.09334	3.1
169.10178	10.8
170.10733	2.5
171.11746	10.9
173.09644	6.1
173.13264	7.1
174.10463	2.4
175.11206	24.7
177.09091	5.1
179.08582	2.2
180.09451	1.9
181.10153	5.3
181.12239	3.0
183.11697	9.1
185.09630	2.7
185.13268	4.6
187.11189	6.3
187.14751	1.9
189.12675	8.9
191.14317	3.3
193.10234	2.2
194.10963	3.0
195.11720	5.5
197.13257	4.4
199.11252	3.1
201.12779	7.0
201.16444	2.6
203.14297	15.6
207.11841	3.1
207.13837	8.3
209.13330	4.7
209.15277	2.3
211.14803	6.8
213.12701	2.3
215.14336	2.6
219.13820	3.5
221.15369	61.1
225.16393	2.6
229.15852	6.6
233.15285	2.9
234.16116	14.6
235.14822	2.4
241.15874	3.1
253.15770	3.6
255.14005	1.8
286.19135	6.8
287.20175	8.8
295.73535	2.0
299.19980	2.1
300.20792	5.6
329.21133	5.3
391.26324	6.4
407.11340	2.5
408.12079	5.7
409.13104	32.0
409.27240	34.0
410.13406	6.6
410.26944	2.4
427.14200	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29585	0.2
51.02364	0.2
58.99591	1.2
64.98570	0.2
67.05506	0.4
70.46265	0.2
71.31981	0.2
77.03910	0.4
79.05497	0.4
81.07045	0.7
86.99068	0.7
93.07047	0.3
95.04984	0.4
98.21130	0.3
103.05466	0.7
105.07009	0.3
107.08614	0.3
117.07010	0.2
118.06538	5.6
123.08108	0.2
128.04869	0.3
130.06523	93.9
131.06860	1.1
132.08069	1.9
133.08841	1.2
133.09987	0.2
134.09627	0.4
146.09633	1.8
147.10443	0.2
149.02359	0.6
167.03392	1.0
176.14342	100.0
177.14740	1.8
182.60052	0.2
236.10648	0.2
269.08041	0.4
280.13663	8.4
328.10513	0.2
409.19330	4.3
409.25327	0.9
410.19672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.74751	1.1
55.01856	2.3
55.05517	6.8
57.03418	1.3
57.07054	3.0
67.05507	11.0
69.03423	1.6
69.07072	9.8
71.08629	7.8
71.58240	1.1
71.58595	1.6
79.05487	7.3
81.06639	1.7
81.07061	20.4
83.08619	3.0
85.06493	1.2
91.05493	8.2
93.07039	8.7
93.08997	1.0
95.04967	5.7
95.08612	11.6
97.02869	1.2
97.06508	4.7
97.10165	1.7
99.08088	6.3
105.03731	1.3
105.07030	9.6
107.08595	9.6
109.06515	11.1
109.10180	7.3
111.08085	1.6
117.07001	1.4
119.08560	7.5
121.06489	3.6
121.10145	3.3
123.08065	1.8
130.06479	1.2
131.08521	2.8
133.10075	5.1
135.08041	5.6
135.11688	3.4
139.11137	2.3
143.08557	1.6
145.10126	5.4
147.11644	3.7
149.09630	1.4
149.13321	1.6
159.11601	2.6
163.11124	3.6
165.12749	20.1
175.14792	2.3
177.12668	1.8
203.14281	1.4
209.18919	7.8
221.15224	1.4
275.20020	1.3
279.26865	1.6
289.25278	9.6
307.26291	3.2
309.16693	1.8
317.24768	23.8
335.25809	19.5
391.28384	4.7
409.25525	100.0
410.25800	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
55.05262	2.2
55.05511	38.2
56.05036	4.3
56.05845	11.2
57.03445	2.9
58.99585	22.5
59.99923	4.4
60.99160	4.5
69.07040	3.0
70.35977	3.7
70.36337	2.6
72.08157	12.9
76.02226	10.9
76.03986	5.7
78.01781	6.3
79.05468	3.5
81.07052	7.7
82.07388	3.4
83.06081	3.9
83.08623	42.3
84.04046	2.3
84.04507	35.6
84.08138	6.5
84.08959	19.9
85.01112	3.0
85.04839	9.3
86.09710	9.2
86.67352	1.9
86.99062	16.3
87.99364	2.9
88.02206	4.1
89.34132	1.7
98.09692	2.9
98.21166	3.3
99.80873	1.8
102.05528	2.8
109.86553	2.4
116.01679	65.3
117.02046	23.0
118.01243	8.5
120.08089	2.5
124.42391	1.9
129.06560	2.4
129.10228	5.3
130.05016	9.0
130.06876	2.1
136.06142	6.6
136.07594	2.7
139.84373	1.8
142.03241	5.6
143.03595	2.6
144.01151	23.9
145.01534	9.1
145.06094	3.2
146.00700	2.5
157.10579	2.5
158.08034	3.0
159.08389	33.4
160.08714	25.0
162.02206	100.0
163.02557	44.4
164.01735	5.9
176.11049	6.1
177.11305	3.1
228.20578	1.8
245.05772	1.9
259.11179	1.8
260.11337	4.5
261.10623	9.3
262.11035	42.1
263.11401	45.1
264.10629	2.2
279.13681	9.3
280.14014	18.8
312.18329	2.2
334.15164	12.1
409.18213	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	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53843	0.3
55.05506	0.4
70.06584	0.7
71.28072	0.4
71.28433	0.5
82.16771	0.4
84.04519	0.4
88.90507	0.3
93.07040	0.3
107.01059	0.5
120.08094	0.7
130.06509	1.5
132.08061	0.4
161.06047	0.6
189.05511	1.6
203.05269	0.3
231.10216	0.4
247.09537	0.7
247.13074	2.9
270.35455	0.3
302.04657	0.3
304.09512	0.3
409.18326	100.0
410.18689	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	409.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17864	5.1
58.22120	5.6
65.69434	5.6
70.06597	32.0
70.92432	12.5
79.28144	5.0
84.04498	9.1
98.12379	4.9
98.21103	6.9
98.97601	15.3
108.91982	5.0
110.97573	5.0
130.05023	8.4
130.91783	5.0
138.25169	5.4
179.03903	7.5
216.01480	17.8
217.08246	7.6
219.01817	11.2
221.04974	6.9
237.02893	13.1
242.08656	5.9
268.58411	5.6
323.07971	25.8
330.89529	6.9
341.09088	18.3
365.09155	8.4
409.08914	100.0
409.18103	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	409.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	19.2
57.22335	3.3
69.03423	7.8
69.65875	2.8
70.06580	3.6
70.23259	11.3
70.98119	4.7
81.03406	3.9
84.08134	9.4
89.03932	5.4
96.36420	4.2
98.97574	10.7
101.00881	24.6
113.00891	6.4
115.02448	20.7
116.98650	6.6
117.03357	7.4
119.01924	88.1
121.01659	7.2
129.03931	3.4
131.01892	28.9
133.03470	100.0
134.99718	4.3
135.03316	3.6
135.04416	12.8
137.02960	10.4
142.03435	5.1
142.96504	6.0
143.01921	52.9
145.03566	22.8
146.99579	7.9
147.01376	6.5
147.03262	4.2
149.02977	11.9
151.04517	13.4
155.01901	16.7
157.03514	17.4
159.01434	4.3
159.05005	3.6
160.97612	6.1
161.02968	65.4
163.03879	73.3
165.00694	6.4
168.99829	7.4
169.03500	6.4
171.01434	14.9
171.05061	4.2
173.02971	66.0
174.99200	5.4
175.04478	6.6
177.00658	5.6
177.02399	3.9
179.02423	3.6
183.01384	4.9
185.02966	17.5
187.00832	8.0
187.04448	4.2
188.97070	13.0
189.00830	4.8
189.02394	16.3
191.02328	5.4
191.03993	40.0
193.00166	14.4
195.01472	4.6
197.02974	8.6
199.00790	15.1
201.02437	13.6
203.03938	19.0
206.98228	3.2
211.01022	4.2
213.02475	5.0
215.00316	10.0
215.03830	4.6
217.01976	25.9
219.03522	5.4
220.99667	6.7
221.02972	40.7
221.05067	9.7
227.03983	5.4
229.01991	6.8
231.03548	20.6
233.05110	5.6
237.02708	4.8
239.04021	7.0
240.03653	4.2
242.09053	3.3
243.03474	4.8
247.03049	8.3
249.04608	6.4
257.05081	6.5
259.03046	11.9
261.04706	22.5
263.03940	7.4
270.97742	6.4
275.02679	4.6
281.02316	4.6
281.05130	30.0
288.98868	6.6
289.04062	37.6
293.07361	19.5
301.04022	15.3
303.00201	4.6
303.09174	5.9
307.05136	35.4
319.05106	13.6
321.06769	3.6
324.70084	3.4
349.06021	6.9
354.71283	3.4
359.04599	11.7
361.05945	4.4
377.05457	12.1
379.06409	3.4
391.07535	5.6
409.09381	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	408.2129
Annotation	Glu-Ile-Phe
Peak:m/z	Relative Intensity
56.05040	0.6
59.04996	1.8
60.04523	4.4
61.66142	0.5
62.99157	0.5
67.05508	1.2
69.07071	1.1
70.06588	1.9
70.44010	1.9
70.44376	0.6
72.08176	0.6
79.05481	0.7
81.03463	0.7
81.07059	1.1
83.08607	0.7
84.04498	2.1
84.08150	0.9
85.04770	0.5
86.09705	100.0
87.10017	0.9
89.06039	1.7
91.05489	0.7
93.07063	1.3
95.08618	1.6
97.06600	0.7
98.21037	1.1
98.21629	0.6
102.05527	1.2
103.05498	1.0
103.07598	1.4
107.08594	1.0
109.10177	0.6
112.03981	3.4
118.60146	0.6
120.08106	19.5
129.10284	0.8
130.05022	1.3
131.04970	0.5
131.08583	0.6
133.08641	1.1
134.09663	0.7
136.02188	1.0
150.05476	0.6
166.08636	7.5
170.47945	0.6
190.08673	0.9
195.11317	1.1
197.12866	1.4
215.14018	0.6
223.06696	1.7
225.12352	11.1
238.14417	0.7
279.17029	5.9
390.17120	1.3
390.23248	0.8
395.94336	0.5
408.18506	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	407.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01865	6.2
55.05511	9.5
57.03437	10.1
57.07074	30.5
65.03933	1.2
67.05501	18.9
69.03423	3.1
69.07063	11.8
70.18797	2.6
71.04983	2.0
71.08628	1.7
79.05488	11.5
81.07053	22.8
83.04976	3.7
83.08635	5.4
85.06540	14.8
91.05473	9.5
93.07043	18.8
95.04970	11.7
95.08603	16.5
97.06535	8.4
97.10180	1.1
98.21293	1.7
99.08090	1.1
104.03690	0.8
105.07033	12.3
107.04983	0.9
107.08593	12.7
107.10216	1.0
109.06512	10.5
109.10144	7.0
111.04431	2.6
111.08064	1.9
113.26105	0.9
114.36838	0.8
117.07030	2.9
119.08580	9.6
121.06493	13.2
121.10142	7.4
123.04419	10.8
123.08071	2.7
123.11669	2.1
125.05967	4.5
129.07019	2.4
131.08618	5.2
133.06499	0.9
133.10092	6.4
135.08041	4.3
135.11685	4.7
137.05963	7.8
137.09602	2.8
139.07539	0.8
139.11203	2.8
143.08574	2.2
145.10074	4.1
147.08075	3.1
147.11684	6.0
149.09642	2.0
149.13290	2.2
151.07553	2.8
151.11182	9.3
153.12743	1.9
157.10127	1.5
159.11671	1.5
161.09645	2.4
161.13295	1.7
163.11211	8.0
163.14789	1.3
165.12749	5.9
169.10135	1.1
173.13228	1.7
175.11259	3.1
175.14871	1.0
177.12776	2.9
179.10675	4.3
181.12260	2.8
184.04454	2.3
189.12752	1.5
189.16362	1.2
193.12234	8.4
199.14732	1.3
200.20087	1.3
201.16501	1.0
206.05971	0.8
207.17453	1.5
213.16420	1.3
217.15990	1.5
219.17529	2.5
221.19003	2.1
233.15236	0.9
235.17117	1.2
249.18501	4.5
263.16580	2.1
277.06055	0.8
287.23859	2.8
291.19534	1.1
297.22443	1.1
305.24731	20.7
305.28116	1.4
306.24808	1.2
315.23090	6.1
323.25821	4.0
333.24219	100.0
334.24652	3.8
351.25247	6.4
353.86508	0.9
379.28574	3.2
389.26965	3.6
407.27951	40.5
408.28339	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	1.9
58.97377	0.7
63.99627	0.7
66.92937	0.7
67.05498	1.1
68.67886	0.7
70.06589	3.3
71.23595	1.0
73.61047	0.6
79.05517	1.1
81.07053	1.7
88.07628	0.8
90.96037	0.6
91.05480	1.5
93.07061	1.3
95.05013	0.9
95.08580	0.7
98.21216	0.9
99.37369	0.7
105.07023	1.7
107.08595	1.0
114.12288	0.6
120.13706	0.7
129.10222	1.0
130.06540	0.6
133.10191	0.7
145.10118	1.2
256.26492	1.0
257.26779	1.7
295.15378	0.9
301.29297	3.4
309.16507	1.0
345.31879	1.6
407.24026	100.0
407.35458	14.3
408.24463	2.5
411.88034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35787	0.3
55.05509	1.0
57.03434	5.2
57.07077	7.7
67.05500	3.0
67.71018	0.3
69.07066	1.0
69.30469	3.8
71.08633	4.2
72.08145	0.8
81.07066	3.1
83.08614	1.4
85.10175	2.1
88.47386	0.4
93.07027	0.5
95.08616	4.0
97.10187	1.0
98.20848	1.3
109.10161	1.2
113.00015	94.3
123.11707	0.6
131.01062	0.7
139.01575	0.6
151.01555	0.5
154.02650	0.4
164.63560	0.3
169.02611	100.0
170.02953	0.5
239.23738	0.8
299.95782	0.4
306.75970	0.3
307.25790	0.4
375.72943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.1
55.05511	7.7
56.05022	7.4
57.03430	4.3
57.45425	1.5
58.99591	8.6
58.99844	1.5
67.05503	12.5
68.05017	3.8
69.03416	6.9
69.07056	5.6
70.06593	14.5
70.93247	1.9
70.93570	2.4
71.04989	3.7
72.08139	3.3
75.56257	1.5
76.02228	11.5
77.35344	1.5
79.05497	15.2
80.05031	3.1
81.03423	53.7
81.07059	18.9
82.06567	1.7
83.04974	5.5
83.06120	1.7
83.08620	14.7
84.04503	18.7
84.08155	13.1
85.02899	4.1
85.06585	1.6
86.00631	1.6
86.06068	22.5
86.09725	12.7
86.99022	2.0
87.04468	18.8
88.03994	1.5
91.05477	10.9
93.07049	13.9
94.06563	2.8
95.04967	18.7
95.08593	9.3
96.08134	2.4
97.02887	2.0
97.06531	5.5
98.06059	16.4
98.09691	3.1
102.05523	5.0
103.96825	1.5
104.07102	13.6
105.00071	2.2
105.07034	9.7
107.04940	4.8
107.08596	6.5
109.06540	2.9
109.10124	2.7
110.07184	2.0
111.08057	6.0
112.07626	9.7
115.05439	2.0
116.01679	6.1
117.07012	2.9
119.04951	1.9
119.08592	7.5
120.08106	4.3
121.10134	10.1
122.02718	16.4
123.08095	3.1
124.07571	2.5
126.05344	1.4
129.06972	4.8
129.10246	4.8
130.04988	2.7
130.06548	2.0
131.03436	1.7
131.08554	6.0
133.06450	3.0
133.10136	5.9
136.07539	5.6
137.09528	1.9
138.12758	2.7
140.07062	2.8
142.08638	3.0
144.01089	3.7
147.08121	1.8
147.11714	8.9
149.09653	18.9
149.13220	2.9
156.08420	4.9
156.10162	3.9
157.06860	1.8
157.10123	8.2
157.54591	1.5
158.08151	4.1
162.02213	9.3
165.12801	3.4
173.13191	2.8
174.09427	4.8
175.11147	8.7
177.05487	2.2
179.04880	2.6
182.15450	2.1
191.14293	1.8
193.12245	54.3
206.15601	2.0
210.14873	7.5
211.13245	5.3
224.16490	2.0
244.09714	3.6
252.15994	3.1
259.08487	2.7
259.11115	25.9
260.16388	3.4
267.15894	24.8
268.13596	2.7
268.16302	2.3
278.17426	5.9
285.12451	2.5
285.17029	17.6
288.16034	1.9
296.18497	1.7
301.13998	1.8
315.05420	1.9
331.13452	2.1
344.20749	8.7
362.21628	5.5
370.22205	7.7
388.23285	100.0
389.23450	4.1
403.62051	1.7
406.16861	3.7
406.27859	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	406.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01881	9.2
55.05522	3.4
57.03432	5.9
58.99607	1.6
61.02918	5.9
67.05492	6.9
68.99782	1.5
69.03432	33.4
69.07066	3.1
69.72231	5.8
70.06594	3.1
71.04990	5.9
73.02914	5.7
79.05500	4.3
81.03422	23.6
81.07056	10.6
83.04984	2.0
83.06113	2.2
84.04503	7.6
84.08121	1.6
85.02907	100.0
86.09705	2.9
87.00828	39.9
91.03961	2.2
91.05497	4.4
93.07040	4.4
95.08608	3.7
96.13597	1.3
97.02899	30.0
99.04458	17.0
102.05482	1.7
105.01872	54.2
105.07005	4.4
107.08595	3.5
108.04484	4.0
109.02872	33.6
109.06495	1.8
111.08096	1.4
116.46148	1.3
117.01838	3.1
119.08595	2.2
121.06492	1.5
121.10144	2.7
123.11707	2.0
126.89221	1.3
127.03915	65.0
129.01857	3.9
129.06740	1.4
130.05006	5.3
130.06546	6.3
131.08598	1.5
132.03539	1.4
133.10153	2.7
135.08015	1.8
136.06158	2.1
139.37163	1.3
143.21921	1.3
144.08163	1.9
145.04964	31.1
145.10057	1.9
147.02898	3.2
147.07732	1.8
151.07573	1.7
151.11270	2.7
157.58289	1.6
159.02898	14.9
162.12801	4.3
176.14297	1.7
189.03975	3.1
199.08348	1.5
213.03911	3.6
215.93764	1.5
231.05000	20.0
231.13945	1.7
248.07683	1.8
249.06067	3.9
249.14847	2.8
259.11063	2.9
261.18845	1.5
290.08002	8.3
292.15494	4.7
308.18530	4.9
335.14938	3.6
406.20874	1.6
406.25729	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	406.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05502	1.6
56.05040	6.0
57.03432	4.4
58.99590	9.3
64.95947	0.8
65.22386	0.8
68.05039	1.3
69.07079	1.0
70.89446	2.2
73.01131	1.4
73.62821	0.8
74.00667	2.5
74.55694	0.7
76.02231	21.7
76.03993	1.4
79.05485	3.8
80.05023	1.4
81.07056	18.5
83.06091	2.1
84.04504	24.3
85.01138	4.4
86.00652	3.6
86.99067	6.6
87.02693	4.3
88.02198	2.2
94.06555	1.4
95.08611	2.4
96.08057	0.8
97.06549	1.8
98.09689	11.4
98.21335	0.8
99.08095	5.3
102.05552	5.2
105.07008	2.1
108.08064	0.8
110.09695	2.6
112.03955	3.8
113.04250	6.7
114.03739	1.0
115.05772	2.0
116.01681	21.7
122.09656	1.2
123.08047	2.0
127.05723	0.9
127.80406	0.8
129.06578	2.3
130.04984	7.5
130.06892	4.6
130.08644	2.1
133.37306	0.9
139.05753	2.5
142.03218	2.0
143.02695	1.0
144.01157	8.2
145.06015	1.0
156.08418	20.2
156.10199	9.7
157.06856	9.4
162.00949	1.6
162.02220	21.3
174.09503	13.0
179.04872	9.0
187.05293	1.1
189.03224	1.1
210.11273	2.3
216.06923	5.5
233.05855	2.5
242.08421	1.1
259.11133	100.0
260.11429	2.0
269.76532	0.8
277.11990	1.4
285.12662	2.2
313.12161	2.9
323.43112	0.9
331.13187	5.9
388.15240	2.0
406.16382	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	406.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.0
55.05515	11.0
56.05029	6.1
57.03429	8.7
58.99593	11.4
60.04478	2.6
67.05511	12.2
69.03417	6.7
69.07078	5.8
70.06597	17.0
70.98782	4.9
72.08154	5.9
74.00662	3.1
76.02229	23.0
79.05510	11.9
80.05019	2.9
81.03420	100.0
81.07058	25.0
83.04971	6.7
83.08616	19.1
84.04508	26.4
84.08132	11.6
85.01109	2.6
85.02892	3.5
85.06558	3.7
86.00661	5.3
86.06058	4.8
86.09708	12.8
86.99053	6.9
87.02683	3.1
87.04480	3.8
87.80074	2.4
88.02209	3.5
91.05490	12.7
93.07043	13.6
95.04964	23.6
95.08595	7.8
97.02871	3.3
97.06509	4.5
97.10139	2.3
98.06052	7.7
98.09689	9.1
99.04435	3.0
99.08081	3.2
102.05545	5.8
103.35077	2.2
104.07110	4.9
105.00068	4.6
105.07040	15.0
106.96703	2.7
107.04960	5.5
107.08578	5.9
109.06500	2.4
111.08085	10.4
112.07620	2.9
113.04204	2.9
116.01664	20.5
117.07006	3.3
119.08585	8.2
120.08103	5.5
121.10123	9.6
122.02723	31.7
122.07208	2.5
129.06964	7.9
129.10245	4.8
130.04979	5.7
130.06799	2.4
130.21738	2.1
131.08572	9.0
133.06470	3.8
133.10150	7.1
144.01228	3.9
147.08070	3.2
147.11687	7.0
149.09631	6.6
156.08391	14.8
156.10208	8.8
157.06790	5.0
157.10126	12.7
162.02225	12.8
173.13280	4.4
174.09424	10.8
175.11211	10.3
177.05466	4.0
179.04854	9.7
193.12247	96.3
197.71281	2.8
210.11252	2.7
211.13326	8.0
216.06941	2.9
233.05766	2.8
259.11127	77.3
266.70227	2.4
267.15921	44.3
278.17413	3.2
285.12564	2.4
285.13785	2.7
285.16916	27.6
290.04843	6.9
290.08340	5.2
313.12183	3.3
314.14438	2.6
331.13141	4.9
388.17862	7.3
388.23267	29.8
389.14063	2.8
406.05814	3.4
406.11053	3.0
406.16568	3.3
406.23035	2.7
406.27933	2.5
407.12695	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	405.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.4
55.05507	3.7
56.05029	5.2
61.02918	2.8
67.05505	12.2
68.99791	1.8
69.07056	3.5
69.66535	1.6
70.06580	5.2
70.82520	1.7
71.18897	4.3
79.05502	11.3
81.07056	13.5
83.06107	31.5
84.04507	97.5
85.02898	6.3
87.00829	2.8
90.17181	1.6
91.05489	17.7
93.07063	13.0
95.08617	10.0
97.06532	2.2
98.21116	1.8
101.07149	16.1
102.05519	7.7
103.03955	2.6
103.05491	2.2
105.07038	20.6
107.05026	2.0
107.08597	8.5
109.10127	2.3
115.05416	2.7
116.06270	1.8
117.03514	1.7
117.07015	5.5
118.08620	2.7
119.08569	20.6
121.10132	5.0
128.06335	2.3
129.06581	44.9
130.05011	100.0
130.06453	17.3
131.08580	9.5
133.10149	17.0
133.97205	1.9
135.11714	4.0
142.06516	3.1
143.07314	29.9
143.08423	2.6
143.24657	1.7
144.08080	63.4
144.09224	3.9
145.10124	5.8
146.06041	3.0
147.07651	56.8
147.11678	15.6
149.13274	2.5
156.08055	9.3
157.10120	3.9
159.11710	4.0
161.09529	2.4
161.13229	12.7
167.07233	2.7
168.08107	4.6
170.06012	17.1
171.11694	4.5
172.07602	4.2
173.13300	5.1
175.14783	11.4
182.09673	2.6
184.07544	8.6
185.13260	5.1
189.12724	2.0
190.96085	2.1
196.07634	1.8
199.14827	3.0
212.07227	2.8
227.13866	2.1
231.21115	4.6
238.08424	3.4
239.11852	3.4
241.19550	11.3
256.09653	3.3
257.13025	1.8
259.20590	30.3
271.09399	2.5
274.10785	2.8
276.23230	2.7
277.10242	2.0
293.23434	1.8
356.17426	2.5
360.10760	6.3
360.25381	3.2
362.12155	2.3
387.26532	1.9
388.24860	8.5
405.23053	3.3
405.27444	8.3
406.11508	11.4
406.16174	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	405.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47344	0.8
55.05506	3.3
56.05039	4.6
57.07071	1.4
67.05511	7.1
69.07063	2.5
71.38721	1.7
79.05489	8.5
79.52632	0.9
81.07061	10.4
83.05624	1.5
83.06104	30.4
83.08610	1.5
84.04505	92.7
91.05489	14.3
93.07047	11.4
94.26288	0.9
95.04932	1.0
95.08611	6.1
101.07146	14.6
102.05545	6.9
105.07038	18.2
107.08575	6.0
109.10149	2.0
117.07011	2.9
119.08582	17.1
121.10168	5.7
129.06604	48.5
130.05006	100.0
131.08557	5.4
133.10149	14.1
135.08031	1.2
135.11708	4.5
137.09660	1.0
141.21141	0.9
143.08583	2.5
145.10129	6.1
147.07652	50.2
147.11681	13.3
149.13255	4.1
157.10133	3.2
159.11638	4.5
161.13283	10.4
171.11671	4.5
173.13240	4.0
175.14792	6.1
185.13261	3.6
199.14964	1.6
231.21082	2.2
235.79887	1.1
239.47174	1.0
241.19499	11.7
257.19003	1.1
259.20572	26.4
276.23184	3.1
325.21613	1.6
329.93518	1.0
342.24249	1.9
342.58505	1.1
359.26779	1.0
360.25305	3.2
370.23785	1.3
377.20938	1.0
387.26273	2.2
388.24854	8.7
405.27722	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	405.2637
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03936	7.9
55.01876	14.4
55.05512	39.1
57.03435	8.7
57.07065	5.1
65.03928	8.0
67.05507	100.0
69.03434	44.8
69.07066	37.0
71.04973	9.8
71.58832	4.3
73.02923	3.8
76.66060	3.0
79.05058	4.3
79.05498	68.8
81.03413	33.4
81.07056	92.7
83.04974	13.6
83.08636	17.0
85.02867	16.3
85.06519	5.3
91.04956	5.6
91.05485	69.7
93.06467	4.9
93.07052	91.0
94.02541	2.7
95.04966	22.8
95.08041	5.9
95.08603	76.7
97.02885	13.2
97.06525	13.3
97.10145	7.0
99.04435	8.6
99.08109	2.8
100.49545	2.8
103.05432	3.8
105.07036	87.0
107.04943	11.8
107.08595	48.7
109.02878	9.6
109.06506	14.1
109.10167	31.6
111.04459	13.3
111.08047	7.7
115.05397	5.1
117.07018	44.6
119.04897	3.5
119.08582	65.6
121.06509	16.3
121.10145	38.3
123.04388	4.6
123.08085	6.1
123.11723	4.9
125.09612	3.8
127.03925	9.1
128.06227	7.1
129.05540	6.5
129.07027	29.9
131.08568	49.3
133.06529	14.5
133.10135	44.9
135.08069	12.1
135.11696	25.3
137.09631	7.7
139.11160	3.7
141.07025	14.3
142.07741	6.4
143.08577	29.6
145.06465	9.7
145.10130	44.3
147.08055	11.7
147.11674	39.4
148.74869	3.3
149.05981	5.3
149.09616	10.1
149.13255	9.8
151.07590	6.8
155.08571	11.3
157.06485	7.1
157.10117	27.2
159.08005	7.5
159.11705	35.7
161.09644	7.3
161.13255	17.4
163.11221	5.8
163.14821	5.8
165.07086	3.2
167.08513	6.7
169.10092	16.6
171.08070	5.4
171.11749	24.7
173.09685	7.5
173.13261	25.1
175.11241	9.9
175.14809	4.7
177.12627	4.9
179.08636	3.6
179.81752	2.9
181.10114	8.9
183.11708	13.6
184.52007	3.1
185.09705	8.0
185.13287	20.0
187.11241	8.1
187.14825	7.9
189.12772	5.1
194.97206	3.3
195.11729	5.5
197.13295	8.2
199.11235	5.6
199.14822	10.5
201.12840	4.4
203.10628	4.3
209.13348	5.8
211.11238	3.9
213.12749	5.1
213.16345	8.5
215.14314	5.2
223.14844	4.6
225.12808	3.6
226.43192	3.5
231.13954	3.3
237.16591	3.3
239.14398	5.0
241.19536	5.3
259.20596	5.7
261.22208	4.2
271.20602	5.9
273.22107	12.6
275.23822	4.6
277.21609	8.0
283.20279	3.6
285.22089	5.9
287.23557	5.2
289.21637	8.8
291.23291	6.0
297.22293	3.9
301.21661	9.1
303.23120	15.5
309.22058	5.0
313.21777	6.7
315.23038	14.4
319.22604	10.0
323.23691	6.7
327.23178	12.3
331.22659	6.3
341.24811	22.1
345.24185	11.5
351.23230	21.2
357.24231	4.0
359.25885	8.6
369.24271	53.5
387.25305	67.8
387.29977	4.7
405.16898	9.7
405.21115	6.0
405.26303	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2635
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03942	9.5
55.01887	14.6
55.05265	4.1
55.05510	44.4
57.03416	8.7
57.07071	4.5
65.03922	5.9
67.05175	5.5
67.05505	80.3
69.03430	49.0
69.07064	28.3
69.42711	5.1
69.43122	18.1
71.01356	4.3
71.04971	12.3
73.02894	3.1
74.40015	2.7
79.05493	76.8
81.03410	41.4
81.06577	4.6
81.07056	93.6
83.04986	17.8
83.08634	15.3
85.02917	16.0
85.06530	4.5
87.04456	4.1
91.05480	81.8
92.89423	3.1
93.07047	75.9
95.04974	24.8
95.08601	63.5
97.02885	18.0
97.06526	7.3
97.10159	10.9
98.20851	6.1
98.21493	5.3
99.04433	6.3
103.03983	4.3
103.05468	4.2
105.07032	83.4
106.00304	2.5
107.04935	11.9
107.08581	48.6
109.02869	7.3
109.06548	18.7
109.10166	24.4
111.04455	15.0
111.08069	4.3
113.02357	3.4
113.94318	2.9
115.03868	3.9
115.05466	5.9
117.07024	46.4
118.11156	2.8
119.08579	54.3
121.06498	13.7
121.10167	30.7
123.04407	4.8
123.08072	9.6
123.11697	9.3
125.09630	5.1
127.03909	6.5
128.06242	5.5
129.05493	6.7
129.07007	33.7
130.06502	3.6
131.04955	3.0
131.08559	62.3
133.06477	13.7
133.10129	43.2
135.08035	11.2
135.11693	23.6
137.05981	4.5
137.09618	7.6
141.06987	12.4
142.07780	3.7
143.08569	30.9
145.06485	11.1
145.09027	4.2
145.10130	57.1
147.08038	11.9
147.11687	35.7
149.09601	10.7
149.13281	14.9
151.07536	5.7
151.11194	4.1
155.08582	14.8
157.10132	20.5
159.08063	6.8
159.11705	40.0
160.88637	3.0
161.09625	12.3
161.13245	14.3
163.00125	2.9
163.11226	4.4
163.14760	5.4
167.08429	4.6
168.52840	3.3
169.10075	14.2
171.08023	4.3
171.11734	19.3
173.09613	8.0
173.13260	24.6
175.11188	9.7
175.14813	4.6
177.12770	4.3
179.08551	3.2
181.10155	7.0
183.11732	11.7
185.09624	7.2
185.13210	16.3
187.11230	7.1
187.14812	9.4
189.12704	6.5
193.10187	4.5
195.11658	7.4
197.09663	4.5
197.13254	11.1
199.11162	4.3
199.14835	9.6
201.12639	6.8
203.10724	3.0
203.14319	5.3
205.12263	4.1
207.11780	4.9
211.11192	4.8
211.14809	7.4
213.12677	6.6
215.14256	3.6
225.16319	4.7
227.14244	5.4
229.15807	3.6
243.13605	3.2
243.21193	3.0
251.46284	3.2
259.20566	7.7
261.21942	3.7
265.69351	3.1
271.20551	4.9
273.22095	10.1
277.21683	8.3
285.22119	9.1
287.23685	4.6
289.21564	10.6
291.23270	5.6
297.22195	5.0
299.23743	3.5
301.21509	11.2
303.23166	9.7
313.21484	10.3
315.23035	12.9
319.22595	9.1
323.23767	4.8
327.23242	8.4
331.22678	4.3
341.24637	19.3
345.24216	12.9
351.23083	16.5
359.25690	4.8
369.24249	60.9
370.24487	4.0
387.20868	5.2
387.25345	65.6
405.26315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46654	1.2
54.31624	1.2
55.01857	6.2
55.05515	10.2
57.03421	4.8
57.07069	2.2
67.05517	7.1
67.83938	1.3
69.07070	11.5
69.66571	4.0
69.67004	3.8
71.08625	2.5
79.05489	4.7
81.07071	8.5
83.08616	9.8
91.05479	1.8
93.07040	4.0
94.10575	1.2
95.08591	4.4
97.10168	5.6
98.21183	3.9
105.07016	2.1
107.08586	2.7
109.10123	2.2
113.00020	100.0
119.08617	1.8
121.10135	6.7
135.11653	2.9
143.08498	1.5
155.08450	1.6
158.03384	1.4
169.02614	94.7
232.65923	1.3
237.22235	6.9
405.17191	1.5
405.26260	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2637
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03940	7.6
55.01878	13.3
55.05264	2.9
55.05513	36.5
55.29808	1.6
57.03451	8.0
57.07060	4.9
65.03936	3.7
67.05505	72.4
69.03431	26.8
69.06717	2.3
69.07071	27.4
69.42860	13.5
71.01346	2.9
71.04995	10.7
73.02924	3.2
77.03944	1.7
79.05494	58.8
81.02968	2.6
81.03419	29.2
81.07056	71.4
83.04981	13.0
83.08611	12.0
85.02911	11.9
85.06523	5.3
86.08229	1.8
87.04499	2.5
91.05483	69.4
91.24960	1.7
93.07046	66.9
95.04964	15.8
95.08604	56.1
96.94906	1.7
97.02866	12.0
97.06522	8.7
97.10158	6.1
98.20890	5.3
99.04473	8.2
99.08103	3.4
103.05497	2.4
105.04526	1.9
105.07027	73.9
107.04951	11.2
107.08601	40.0
109.02869	6.1
109.06516	10.8
109.10152	20.8
111.04446	12.7
111.08066	3.4
113.06037	2.0
115.03913	2.2
115.05426	4.6
117.07023	38.9
119.04901	3.2
119.08587	48.9
119.09448	2.5
121.06525	9.6
121.09312	2.3
121.10144	29.6
123.04432	4.4
123.08088	6.7
123.11726	8.1
125.09605	5.0
127.03917	2.8
128.06218	8.4
129.05492	3.5
129.06993	24.3
130.07776	3.6
131.04904	2.2
131.07571	2.5
131.08571	47.2
133.06508	11.5
133.10132	39.9
135.08083	11.0
135.11684	18.6
137.05933	2.1
137.09630	3.8
141.07013	8.1
142.07799	4.8
143.08578	25.8
144.09253	1.4
145.06474	8.3
145.10121	46.9
147.08043	8.7
147.09082	1.5
147.11694	30.5
149.09596	8.0
149.13251	10.5
151.07530	3.1
151.11194	2.4
152.04587	1.6
153.07094	1.8
154.07837	2.0
155.08539	9.5
156.09355	4.2
157.06505	4.7
157.10130	18.4
159.08067	5.9
159.11684	33.6
161.05936	2.1
161.09653	4.7
161.13261	15.6
163.07635	1.8
163.11188	4.7
163.14838	4.0
165.12724	3.0
167.08542	3.8
169.10135	12.1
171.08040	6.5
171.11707	18.4
173.09563	8.7
173.13246	24.1
175.11197	6.8
175.14870	8.8
177.12712	3.5
179.08614	2.2
179.10811	1.7
181.10143	3.9
183.11690	7.9
185.09648	4.3
185.13210	13.5
187.11200	5.0
187.14862	7.9
189.12711	6.3
189.16527	2.3
191.10681	2.0
193.10091	2.3
195.11722	3.5
197.09697	3.2
197.13252	6.6
199.11139	2.5
199.14796	6.5
201.12804	4.8
201.16454	2.3
203.10722	2.0
203.14348	2.0
207.11786	2.5
207.13736	2.1
209.13246	2.9
211.11220	2.2
211.14839	4.7
213.12802	3.1
213.16417	2.8
215.14288	4.8
225.12787	2.4
225.16415	2.2
227.14464	2.8
229.16028	2.3
237.12646	2.4
239.14191	2.4
241.19374	2.1
243.13844	3.8
245.19211	1.9
249.18973	1.7
253.19473	2.2
255.20850	1.9
259.20569	7.7
261.22189	2.8
265.19659	2.5
269.19281	1.9
271.20599	6.7
273.22131	7.8
277.21768	9.1
283.20547	2.2
285.22089	7.6
287.23694	2.5
289.21643	9.1
291.23242	6.7
295.20453	2.0
297.22171	1.8
301.18423	2.1
301.21555	13.1
303.23169	6.8
313.21735	6.0
315.23358	14.5
317.24707	2.7
319.22699	7.7
323.23657	3.7
327.23233	7.2
331.22693	7.2
341.24759	12.3
343.23044	1.9
345.24228	7.4
351.23160	16.8
359.25809	3.8
369.24255	55.7
387.25305	39.9
405.26355	100.0
406.27020	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	405.2123
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01884	7.3
55.05514	16.0
55.71616	4.2
56.05027	4.7
57.03442	23.8
61.02933	79.1
67.05509	61.3
67.27395	4.3
69.03432	36.7
69.07066	17.3
70.06595	27.5
71.01431	4.3
71.05003	42.5
71.58078	7.6
72.08154	13.7
73.02924	27.9
79.05489	29.7
81.03427	20.7
81.07065	65.7
83.04980	8.2
83.08610	5.0
84.04502	10.5
84.08145	21.2
85.02425	6.0
85.02910	77.8
85.06560	33.5
86.09688	22.3
91.03967	36.2
91.05487	55.6
93.07044	20.3
95.04969	5.9
95.08629	9.2
97.02890	66.7
97.06539	12.1
98.21183	5.4
99.04456	11.1
101.02378	14.5
103.03927	8.5
105.07037	50.6
107.08603	30.9
109.02849	10.2
109.06519	14.2
109.10158	30.5
110.19798	4.7
111.08114	4.8
117.06950	6.6
119.08583	9.0
120.08144	7.8
121.10144	8.4
123.11720	8.1
124.69159	4.2
127.03912	17.4
129.05510	6.4
129.10236	8.2
130.05000	12.2
130.06549	14.9
131.08658	6.2
133.10146	64.4
135.11726	5.6
136.07549	6.9
145.04945	10.9
147.06473	6.3
147.11722	5.2
151.07555	12.1
151.11186	56.5
152.07904	6.4
159.09166	5.5
159.11649	5.6
165.12709	10.6
167.07089	5.1
169.07674	4.5
169.12259	11.7
180.59169	5.0
183.06544	5.7
197.07228	4.4
207.13889	5.1
208.14209	14.4
224.16949	4.8
225.10298	6.9
225.12862	4.7
225.14828	30.8
230.87572	4.7
243.15945	100.0
244.16263	5.2
253.09648	13.3
271.11288	4.7
281.09128	29.8
299.10315	6.1
309.08722	32.0
311.10236	7.6
327.09756	17.0
345.10822	18.8
355.09225	27.4
370.19690	4.6
373.10138	6.1
405.21213	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67685	6.9
63.64804	8.6
68.24288	8.2
69.03412	26.3
69.07076	9.4
69.97758	38.2
70.06599	53.1
70.96188	7.9
72.08153	20.7
79.05502	17.2
81.07059	16.9
83.04974	11.6
84.04514	20.2
84.08150	15.9
85.02889	20.0
86.09702	100.0
87.10045	23.7
91.05473	18.8
93.07030	7.9
95.04952	7.0
105.07027	19.5
107.08580	25.7
119.08578	20.2
120.08124	14.5
121.06503	15.6
123.08049	20.3
127.03925	11.3
129.10289	13.1
130.05029	8.4
130.06467	13.2
133.06519	58.5
135.08009	10.2
136.06131	8.5
136.07610	15.4
143.11807	13.8
147.11690	52.8
149.09567	7.9
153.17570	8.4
154.63512	9.1
163.11191	22.9
189.12756	49.1
191.14336	49.0
207.13843	74.6
221.68362	9.0
231.04590	8.5
272.88416	7.8
290.11191	8.0
293.90945	9.1
295.67377	9.6
402.13162	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.3
57.03439	4.5
69.07038	4.5
70.06590	8.5
71.58278	4.4
76.65903	3.9
79.05486	9.1
81.03410	5.2
81.07048	14.3
83.04963	9.1
84.08144	8.0
85.02908	22.4
86.09695	5.7
91.05466	7.1
93.07030	11.2
95.04973	5.3
97.06535	5.0
98.21044	3.7
99.04488	5.1
105.07031	12.4
107.08596	11.2
109.06512	15.0
111.08081	3.9
119.08588	11.0
120.08057	6.0
121.10140	15.2
123.08061	5.8
123.11718	15.5
133.10117	15.0
135.11746	4.1
137.09587	27.2
147.11671	16.2
149.09676	7.0
161.09621	11.7
161.13257	8.1
165.12769	100.0
174.10393	6.5
179.14369	5.8
189.09056	4.7
189.12744	15.0
197.40279	3.5
207.13831	44.4
225.11227	15.6
285.07547	10.6
307.15079	4.7
333.13370	5.8
351.14529	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	404.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01862	4.7
55.05500	6.6
59.27812	2.7
67.05499	5.1
69.03429	3.5
69.07061	5.5
70.06588	7.3
70.69930	3.2
70.70250	6.1
72.08136	3.8
76.94894	3.1
79.05484	8.5
81.03398	7.7
81.07036	10.4
84.04044	2.6
84.04509	19.4
84.08154	5.6
85.02898	5.8
91.05467	10.0
93.07025	6.9
95.04937	4.7
95.08617	5.1
97.06541	7.7
98.20930	5.3
101.76501	2.8
102.05545	4.3
105.07015	10.1
107.04965	4.3
109.06543	3.0
111.94772	2.6
117.06994	3.0
119.08561	6.0
120.08092	3.5
121.06534	3.9
129.06990	3.8
130.04987	10.3
130.06596	3.4
131.08560	7.1
133.10146	3.9
136.06120	12.9
141.89522	3.1
143.08536	4.1
144.64064	2.8
145.10126	6.0
147.04475	3.6
147.07768	3.1
147.11757	3.9
148.06079	6.0
149.80945	2.9
159.11711	4.0
161.05920	3.4
189.05476	5.7
217.12308	3.0
221.04453	6.1
221.23264	2.9
233.11531	4.4
241.12134	3.1
255.10016	3.7
257.18979	5.3
280.14355	15.4
280.64404	3.5
287.12753	6.9
315.12216	12.3
333.13327	100.0
351.14243	19.8
369.15582	3.8
375.61829	3.3
404.23511	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	404.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.3
55.05505	3.9
57.03453	1.4
67.05507	5.1
69.03412	2.1
69.07066	2.0
70.06596	1.8
71.57314	1.8
79.05496	5.6
81.03422	3.7
81.07066	5.3
83.08629	1.6
84.04519	2.4
84.08160	1.3
85.02888	1.4
86.09711	2.1
91.05495	4.5
93.07047	3.9
95.04945	2.0
95.08591	2.5
97.06547	2.2
97.10148	1.3
98.20963	1.2
103.05474	1.8
105.07030	3.8
107.04916	2.5
107.08604	2.2
109.10183	1.6
115.05444	1.2
117.07017	3.6
117.84901	1.0
119.04970	1.8
119.08614	2.7
121.06575	1.2
123.04441	1.8
123.08109	1.4
128.06253	2.0
129.06985	4.2
130.05069	1.2
130.06514	2.5
131.08621	2.0
133.06494	1.7
133.10121	1.5
135.08067	1.6
136.06248	1.5
137.06009	1.1
138.02376	1.1
143.08533	1.3
145.06529	2.8
147.04410	2.3
147.08020	1.5
147.23514	1.1
148.69888	1.0
149.02325	1.1
149.05966	1.2
151.03918	2.5
153.07198	1.1
155.08650	1.7
157.06555	1.8
157.10176	1.4
161.06032	2.2
163.03955	2.1
167.08569	1.9
168.08073	1.7
169.10139	1.6
171.08107	1.5
173.05997	2.1
175.03951	3.1
181.10124	1.8
189.05453	2.6
199.11179	1.6
210.12842	1.5
213.12685	1.5
221.04434	6.7
223.11101	2.0
225.09274	1.2
227.10564	1.5
233.11789	3.7
235.06032	1.8
241.12241	3.1
242.02684	1.4
251.10669	2.8
256.06863	3.3
269.11716	3.7
277.10965	2.1
280.14392	2.4
285.05756	1.2
287.12848	6.6
297.11188	3.6
303.12589	1.4
305.13809	2.9
315.12289	13.6
333.13318	100.0
334.13678	3.0
351.14352	19.0
351.18436	1.9
354.60327	1.2
369.15390	1.4
386.15585	1.2
404.24423	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33028	3.3
53.03947	5.3
55.01874	4.4
55.05514	7.3
56.05024	5.7
67.05498	9.9
69.03427	10.4
69.07062	7.6
70.06598	10.0
70.30856	5.5
70.31245	9.1
71.04989	16.3
73.02910	5.2
73.18370	2.9
74.39529	3.1
79.05497	15.5
81.03426	6.0
81.07063	45.8
83.04995	4.1
84.08148	7.6
85.02904	13.5
85.07755	3.2
86.09734	8.4
89.39810	3.4
91.05482	21.5
93.07061	37.6
95.04987	5.0
95.08621	11.3
97.02902	17.4
97.06512	7.7
99.04453	36.4
105.07030	56.4
105.38837	3.5
107.05012	5.5
107.08603	15.8
109.06517	10.0
109.10159	5.5
111.08097	15.1
113.35024	3.5
115.07590	6.5
117.07085	6.0
119.08565	8.6
119.24510	3.2
120.08093	3.3
121.06534	8.0
123.08033	5.3
123.11723	3.9
124.20319	3.0
125.06094	4.2
127.03951	7.3
130.05034	4.2
130.06502	3.5
131.08594	4.6
133.06480	4.7
133.10136	72.6
135.07944	3.2
135.11708	7.6
136.06178	4.5
137.06003	14.8
143.08539	11.9
145.10155	8.1
146.07268	4.7
147.08098	3.5
150.56818	3.4
151.07599	3.4
151.11215	10.7
161.09619	92.0
163.11241	16.4
175.14975	3.7
179.10654	33.5
189.09064	32.5
207.10152	23.0
207.13814	4.2
211.17082	3.2
225.11241	100.0
243.99800	3.4
260.11572	3.7
333.13440	6.8
342.89120	3.4
351.14291	8.3
369.15527	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	404.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33028	3.3
53.03947	5.3
55.01874	4.4
55.05514	7.3
56.05024	5.7
67.05498	9.9
69.03427	10.4
69.07062	7.6
70.06598	10.0
70.30856	5.5
70.31245	9.1
71.04989	16.3
73.02910	5.2
73.18370	2.9
74.39529	3.1
79.05497	15.5
81.03426	6.0
81.07063	45.8
83.04995	4.1
84.08148	7.6
85.02904	13.5
85.07755	3.2
86.09734	8.4
89.39810	3.4
91.05482	21.5
93.07061	37.6
95.04987	5.0
95.08621	11.3
97.02902	17.4
97.06512	7.7
99.04453	36.4
105.07030	56.4
105.38837	3.5
107.05012	5.5
107.08603	15.8
109.06517	10.0
109.10159	5.5
111.08097	15.1
113.35024	3.5
115.07590	6.5
117.07085	6.0
119.08565	8.6
119.24510	3.2
120.08093	3.3
121.06534	8.0
123.08033	5.3
123.11723	3.9
124.20319	3.0
125.06094	4.2
127.03951	7.3
130.05034	4.2
130.06502	3.5
131.08594	4.6
133.06480	4.7
133.10136	72.6
135.07944	3.2
135.11708	7.6
136.06178	4.5
137.06003	14.8
143.08539	11.9
145.10155	8.1
146.07268	4.7
147.08098	3.5
150.56818	3.4
151.07599	3.4
151.11215	10.7
161.09619	92.0
163.11241	16.4
175.14975	3.7
179.10654	33.5
189.09064	32.5
207.10152	23.0
207.13814	4.2
211.17082	3.2
225.11241	100.0
243.99800	3.4
260.11572	3.7
333.13440	6.8
342.89120	3.4
351.14291	8.3
369.15527	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	404.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12088	2.7
56.96565	21.6
60.35353	2.9
71.58247	3.5
89.00277	2.5
91.93728	2.6
98.97581	81.4
116.98620	67.2
122.03654	6.7
130.06523	6.8
134.42371	2.8
134.99660	41.0
137.05984	48.6
138.12532	2.8
140.00214	3.9
153.00719	4.2
156.08087	5.2
158.01262	5.3
168.08090	47.8
169.08875	32.0
182.09665	3.4
183.10434	7.8
192.23677	3.1
210.12770	11.5
211.13547	18.5
212.17581	2.6
214.18242	2.4
224.09441	3.1
226.11174	21.2
228.13821	11.3
235.02782	63.6
244.12277	7.2
253.03853	100.0
267.05133	3.3
268.12372	3.9
271.04831	5.3
275.02570	2.7
276.05444	13.3
344.11487	3.7
344.15372	12.1
349.92657	3.4
360.14322	6.7
386.16022	45.9
387.16434	2.7
390.19412	2.8
404.17429	87.0
405.22406	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	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.4
57.03440	3.3
65.03948	0.7
70.02957	0.4
70.06587	2.1
72.08135	1.1
73.02908	0.8
75.04475	1.5
84.04485	0.5
84.08144	0.8
85.02906	3.3
86.09708	3.7
87.02712	0.5
91.05483	100.0
92.05812	1.6
95.01357	2.9
96.53140	0.4
97.02912	0.4
98.45319	0.4
101.07341	0.4
113.02380	1.2
116.07082	0.5
119.04956	0.6
120.08136	0.5
129.10281	0.6
137.05986	6.4
141.01836	4.5
147.26685	0.4
154.23766	0.5
159.02896	0.5
177.05508	0.6
193.08614	37.1
194.08929	0.6
211.09666	15.1
369.11707	1.1
386.14423	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
55.69081	1.1
57.03433	1.3
57.52702	1.0
58.99585	21.5
67.05482	1.9
69.03430	1.1
69.07076	5.3
70.06588	1.6
70.18018	4.4
72.08154	1.7
73.01141	1.3
74.06049	1.2
76.02227	100.0
76.03996	4.4
79.05492	8.6
80.05010	1.6
81.03404	2.4
83.06121	1.4
84.04503	36.1
84.08175	2.5
86.06087	1.5
86.09703	5.1
86.99075	5.5
88.02232	1.6
95.04942	1.2
97.06531	91.8
98.20925	2.4
98.21478	1.3
102.05558	2.1
110.07150	1.7
116.01678	23.9
129.03706	10.3
129.10239	1.4
130.05013	22.5
141.04820	1.2
142.03214	11.9
144.01129	12.2
145.02829	1.3
162.02203	44.5
163.03931	3.0
165.09183	1.3
170.02707	4.2
172.07921	2.5
177.03325	1.9
177.05501	1.7
178.83321	1.1
179.04854	69.1
187.05400	1.7
199.58167	1.1
215.04854	2.9
226.10925	1.4
231.04356	2.7
233.05902	24.4
239.12869	1.2
240.98228	1.2
245.05943	4.4
249.02954	1.1
275.10489	6.5
283.11252	1.4
290.07986	2.1
291.06375	3.0
296.48016	1.2
308.09125	26.1
404.15198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2553
Annotation	Ala-Leu-Leu-Ser
Peak:m/z	Relative Intensity
53.03947	0.4
55.05509	1.1
55.16514	0.4
56.05025	1.6
57.00177	0.5
57.03431	1.4
57.05819	0.5
58.06600	1.1
60.04529	0.5
61.02935	0.5
67.05495	1.3
67.46484	0.4
68.05047	0.6
69.03423	1.6
69.04552	0.6
69.07067	5.0
70.06593	17.5
71.06928	1.5
71.57832	0.8
72.08157	6.6
74.06078	5.5
76.02238	0.6
79.05494	1.4
81.03404	2.3
81.07043	1.1
83.04973	0.9
83.06145	0.6
84.04501	3.0
84.08140	5.7
85.02904	1.7
86.06062	0.8
86.09705	100.0
87.10040	1.6
88.03992	0.9
88.26077	0.5
91.05481	2.6
93.07027	1.2
95.04965	0.8
95.08595	3.7
97.02885	2.5
97.06551	0.7
101.07121	0.5
102.05566	1.1
103.03921	0.6
107.04943	0.6
107.08615	0.9
110.07131	0.6
112.07605	1.3
112.08701	0.7
112.11265	0.6
113.07150	1.0
115.08707	0.8
116.03473	0.5
116.07102	1.0
117.05602	0.4
119.04974	0.6
119.08600	0.6
120.08109	1.6
121.10152	2.0
123.08064	0.4
127.04018	0.5
129.05487	0.8
129.09297	0.5
129.10182	2.2
130.05057	0.9
132.10207	1.9
136.07594	1.3
137.05969	0.5
138.09166	0.5
140.07079	1.0
141.06606	1.2
142.70070	0.5
143.11823	0.7
145.05042	0.5
149.09621	0.9
153.05499	0.5
157.13373	20.7
159.07709	2.0
159.10236	1.4
167.10684	0.5
169.13414	0.7
171.11284	1.1
177.05582	0.8
185.12866	16.8
187.14433	1.2
195.08049	0.5
196.05272	0.5
199.17993	0.6
201.12334	3.2
207.06648	0.6
211.23808	0.5
215.14299	2.9
217.15474	0.6
219.13412	16.1
223.07634	0.5
226.15532	0.9
229.15532	2.8
230.15926	1.3
233.14995	1.8
241.14363	0.6
250.08678	0.7
251.09096	0.6
253.19099	1.2
255.10988	0.5
272.16153	4.0
287.07773	0.6
298.21326	2.4
341.11066	0.5
385.19119	0.9
385.24475	2.4
403.14725	1.2
403.19821	3.4
403.25049	0.8
404.13568	0.5
422.96466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70487	1.6
55.01862	4.7
55.05498	2.3
55.74029	1.6
67.05501	3.5
70.06586	4.1
71.12656	2.3
71.20956	1.4
71.58376	1.9
72.08143	2.3
79.05492	1.8
81.03413	2.6
84.04485	3.5
84.08134	1.7
93.81046	1.8
97.06499	4.6
121.72948	1.9
129.01852	1.9
130.06525	4.4
131.08530	1.9
142.03233	3.7
145.00075	1.7
163.03818	2.6
168.08040	3.7
184.09911	2.1
185.10686	3.2
198.07887	2.3
199.08676	10.8
200.09219	1.8
209.10715	2.1
212.09499	5.3
212.53896	1.7
213.06636	5.7
213.10223	21.0
225.10188	2.6
226.07315	3.6
227.08165	12.6
227.11723	12.2
228.08931	6.1
229.09706	6.0
237.10214	4.1
237.18683	1.7
239.07938	1.9
240.08894	7.0
241.06226	8.5
241.09750	36.2
242.10446	2.4
243.11626	1.9
253.09830	2.4
255.07620	4.6
255.11287	35.3
257.09192	3.4
259.09491	2.3
265.09683	2.7
269.09274	22.2
270.09985	6.4
281.09109	1.8
283.07480	3.8
283.10748	44.9
287.13901	2.9
311.10260	28.4
315.10144	3.0
315.13388	10.4
339.09665	5.7
343.12872	100.0
353.11240	2.9
371.12396	83.0
372.12921	2.0
385.03033	2.1
389.13446	3.6
396.38519	1.8
403.14832	16.6
403.26550	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	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	26.1
59.32755	18.3
61.27664	22.0
67.05496	78.0
69.07056	50.8
70.41773	38.4
79.05474	73.2
81.07033	90.9
91.05474	56.3
93.07059	100.0
95.08614	36.4
98.20865	30.5
105.07045	49.8
107.08615	34.5
119.08617	30.1
130.06567	25.3
131.08559	32.9
133.10100	23.5
134.39464	20.7
145.10110	36.6
159.11702	27.0
214.15837	20.9
255.15941	21.4
269.17496	54.4
275.20062	45.8
286.20117	23.1
349.23431	24.7
427.24313	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
57.10413	0.2
69.07072	0.3
71.57693	0.3
82.37579	0.3
82.58228	0.2
83.00349	0.3
85.13676	0.3
88.03847	0.2
91.05485	0.3
97.78560	0.2
103.05474	0.8
119.69633	0.3
121.99184	0.3
124.74648	0.3
130.06534	100.0
131.06873	1.3
168.08087	1.1
185.96748	0.4
191.33694	0.3
201.96086	0.3
202.96895	0.3
226.12381	0.6
228.83850	0.3
228.99136	0.3
231.95433	0.4
249.96614	0.6
277.47733	0.3
343.56485	0.3
361.01260	0.7
402.15744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57983	26.9
55.05500	100.0
56.26485	32.0
57.03422	28.3
67.05500	96.1
68.89206	27.4
69.03455	28.2
69.07067	95.5
71.58415	38.7
79.05492	87.1
81.07054	97.0
91.05489	79.0
93.07059	84.4
97.10161	58.4
105.07056	33.5
107.08616	85.0
108.15256	35.0
110.78836	28.1
117.07036	38.1
119.08606	58.3
121.10162	45.8
125.09716	60.8
130.06555	35.7
131.08582	36.3
133.10118	36.3
136.06129	36.8
159.11688	40.3
168.08258	27.1
171.10133	37.4
173.13216	37.7
177.12709	27.2
189.11287	37.7
227.12759	49.2
245.13895	37.4
269.17416	48.4
275.20041	73.3
286.20114	49.2
353.36786	32.9
402.24869	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	402.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52451	0.2
57.28453	0.2
59.86014	0.2
69.06992	0.2
70.98315	0.3
70.98684	0.4
80.07608	0.2
81.07053	0.2
84.08126	0.2
95.04951	0.2
101.36144	0.2
103.05437	0.8
117.03749	0.3
130.06531	100.0
131.06894	1.2
145.99039	0.2
168.08101	0.4
180.08063	0.6
183.48315	0.2
194.09723	0.2
208.11230	0.3
209.12025	0.3
210.14961	0.2
267.73016	0.2
286.55566	0.2
288.78448	0.2
335.40503	0.2
338.12500	0.9
366.13312	0.4
402.15439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27168	2.2
56.05029	7.1
57.03425	3.0
61.02906	2.6
69.03454	2.8
69.07058	7.9
70.06587	84.1
71.04964	2.9
71.57863	4.1
72.08157	29.8
74.06080	12.5
79.05501	3.9
81.03403	11.4
81.07005	3.8
82.06570	2.7
83.06065	3.1
84.04491	17.9
84.08144	38.8
85.02895	4.0
86.09704	100.0
87.04460	3.2
87.05039	2.3
87.10007	4.7
88.03989	6.1
89.03910	6.8
91.05468	7.1
93.07056	3.3
95.04964	2.6
95.06102	3.8
95.08588	4.4
97.02869	3.4
102.05529	3.1
103.03932	3.2
105.07047	2.8
105.32653	2.3
107.27100	2.6
110.07139	6.1
111.04436	2.6
112.08698	8.3
115.08698	6.0
116.07040	3.3
117.03382	30.3
119.04938	3.8
119.08566	3.2
120.08077	4.8
121.06536	2.6
124.07616	3.0
125.05938	2.6
129.10240	34.0
130.06512	3.8
131.04805	2.6
132.01053	3.0
132.08089	4.6
132.10199	4.3
132.52856	2.6
134.06003	2.8
136.06190	2.4
136.07571	9.5
137.05969	2.8
140.08173	4.1
141.06697	2.5
143.11790	26.2
145.02843	63.9
147.04446	5.7
148.07513	4.4
149.05943	8.1
151.07504	3.2
152.07008	4.3
154.08635	3.2
159.07863	3.6
159.09126	4.8
162.03114	3.4
166.08609	14.2
167.07167	2.9
171.11246	4.2
177.05463	88.6
183.14951	4.1
189.12294	2.9
194.08133	11.7
197.10307	8.5
208.10539	3.7
219.06544	13.9
223.07603	3.3
229.15491	10.0
240.13351	5.1
250.08551	3.5
251.09143	68.0
255.21291	2.8
401.71561	5.8
402.18781	6.0
402.24554	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	401.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.7
53.03945	4.4
55.01868	2.0
55.05517	17.1
57.03426	3.8
57.07080	100.0
57.15700	1.3
65.03925	1.3
67.05170	3.0
67.05509	37.5
69.03436	22.7
69.07072	22.8
69.39959	10.8
70.06584	1.8
70.43932	1.3
71.04988	2.1
71.08636	79.9
73.02917	3.4
79.05491	2.6
81.03421	24.9
81.07059	46.2
82.08218	1.3
83.08622	36.1
85.02908	29.9
85.06541	1.5
85.10185	39.0
93.07074	2.4
95.08613	73.8
97.02905	17.4
97.10173	17.3
98.21324	4.5
99.04469	9.8
99.11732	2.8
109.02887	9.6
109.09451	2.7
109.10160	35.5
111.11724	6.4
123.11705	17.2
125.13275	4.8
127.03923	18.9
137.13272	7.5
139.14828	2.3
145.04948	8.4
151.14877	3.7
155.09729	1.5
157.10307	1.9
165.16280	2.0
177.12749	3.8
178.13101	2.5
186.20839	1.3
221.22658	5.0
222.78407	1.6
239.23715	40.4
240.24078	2.2
257.24820	2.0
262.97189	1.5
264.44199	1.4
341.26901	1.7
383.27917	11.4
399.85086	1.6
401.17712	2.1
401.27783	1.3
401.38266	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	401.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77818	2.9
53.03941	4.1
55.05509	14.1
57.07059	10.6
67.05508	18.7
69.03432	4.3
69.07076	19.7
69.75490	19.8
71.04978	10.9
74.31472	3.2
79.05495	24.5
81.03415	5.8
81.07053	34.4
83.08616	5.8
85.10152	3.3
91.05482	49.2
93.07050	49.7
95.04955	9.9
95.08625	26.6
97.02885	3.7
97.10165	4.0
98.21075	10.5
102.82565	2.8
103.05453	3.3
105.07030	86.2
107.08598	43.3
109.05788	4.2
109.06525	62.1
109.10152	21.1
111.08106	4.9
115.05436	8.8
116.06269	3.6
117.07020	29.3
119.07791	4.8
119.08591	84.3
119.38280	2.8
121.10146	14.3
123.08054	4.4
123.11726	5.0
126.23158	3.0
128.06224	10.6
129.07030	21.7
130.07761	11.4
131.08572	59.2
133.10124	86.4
133.11078	5.1
134.10504	2.9
135.08057	11.1
135.11678	18.4
137.09616	5.5
141.06973	8.0
142.07770	27.6
143.08585	46.3
144.09334	9.9
145.10127	100.0
147.08012	8.4
147.11685	18.9
149.09654	6.1
153.07007	6.1
155.08571	21.1
156.09370	21.9
157.10144	61.0
158.10924	14.4
159.11705	35.6
161.09648	4.6
161.13197	4.2
165.07002	8.1
166.07823	3.7
167.08554	12.9
168.09367	8.8
169.10117	26.9
170.10927	9.6
171.11697	32.5
172.12527	4.1
173.09631	4.6
173.13275	41.5
175.14822	16.2
179.08511	15.2
180.09250	6.1
181.10136	15.7
182.10901	8.1
183.11650	25.0
184.12440	5.5
185.13269	18.8
187.14807	40.7
189.16429	3.1
193.10126	12.3
194.10857	8.0
195.11664	22.5
196.12448	5.4
197.13242	19.8
199.14755	17.7
201.12752	6.9
206.10904	4.1
207.11716	12.6
208.12560	3.2
209.13269	26.6
211.14818	8.5
213.16362	3.6
221.13290	12.6
222.14067	6.2
223.14873	11.1
225.16357	3.3
231.11484	5.0
232.12628	3.3
235.14705	6.7
237.16455	5.9
247.14807	4.5
249.16417	6.2
261.16400	5.3
265.19540	6.5
277.19672	5.2
287.18225	3.4
343.24094	6.6
345.21954	3.6
383.27335	3.3
400.13205	3.3
401.12817	17.7
401.18420	27.7
401.28271	43.0
402.14539	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	401.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29886	1.3
60.04523	1.5
60.05649	8.7
61.02913	1.5
69.49705	8.9
70.06596	71.4
72.08162	6.8
79.05499	1.5
81.03405	6.0
84.04479	3.4
84.08146	3.9
85.02883	2.2
86.06066	6.0
86.09711	100.0
88.03982	3.6
91.05473	1.8
95.04970	2.1
98.20860	3.0
98.21462	3.1
110.07175	3.8
112.08737	5.9
112.96018	1.6
113.07179	2.1
114.05518	2.6
115.08684	6.3
116.07102	11.5
119.04964	1.9
120.08024	1.7
121.06494	1.9
125.07120	2.3
129.10257	1.5
130.05005	2.0
130.09770	3.5
143.24823	1.4
156.11275	9.3
157.10828	2.4
157.13408	1.9
158.09267	11.5
167.23639	1.4
169.09726	2.9
171.93056	1.5
175.11909	24.8
177.05434	2.3
185.09213	4.7
213.08737	5.4
215.16873	1.4
227.13988	2.7
271.17603	9.7
286.17328	2.0
326.17151	2.4
346.45996	1.4
363.92032	1.4
383.24002	1.6
401.25052	98.3
402.25275	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	400.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79247	0.6
55.05266	0.9
55.05514	11.7
57.07064	2.4
58.06593	2.3
67.05497	1.0
68.05023	1.0
69.07070	6.7
70.06597	15.7
71.08624	1.1
71.57516	0.7
72.08150	1.0
74.06065	1.0
81.07053	1.0
83.08618	3.4
87.04510	0.5
88.07633	29.4
90.09207	0.6
95.08582	1.1
97.10158	1.3
102.09186	13.2
105.79588	0.6
127.80567	0.6
132.10231	1.2
144.21210	0.7
146.11734	0.7
150.11267	1.2
182.97295	0.5
264.28693	0.5
266.57813	0.6
275.34958	0.5
296.29721	1.1
297.29813	4.0
338.34158	31.5
339.34399	0.9
372.28973	1.2
382.36655	2.8
400.28436	4.9
400.37863	100.0
401.38263	3.0
403.80527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37251	1.0
56.96563	10.5
69.63739	5.2
69.64147	2.6
71.95245	1.6
98.20829	1.7
98.97583	100.0
100.97159	1.8
116.98619	68.0
117.99004	1.5
118.98242	1.4
132.22289	1.2
134.99667	28.0
136.00020	1.2
153.00699	2.2
158.01271	2.6
172.94441	2.2
177.00977	1.6
189.00670	1.3
190.95407	2.1
219.01941	1.5
232.96478	5.2
240.98672	2.4
250.97595	3.5
256.96411	9.4
258.99771	42.2
259.99960	1.5
260.99915	1.6
261.03104	4.1
262.03229	5.9
263.02658	1.6
274.94409	1.9
274.97507	48.8
275.97842	4.6
276.97693	10.2
277.00760	48.9
278.01190	3.8
279.00882	2.5
282.99948	1.5
284.99927	2.4
292.98553	35.1
293.98950	4.0
294.98578	6.0
300.02237	1.8
301.01126	3.3
303.00812	3.3
316.00162	1.4
318.98477	1.7
382.99728	4.1
401.01111	12.9
402.00961	1.5
418.98367	4.0
419.02930	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	400.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.05294	0.8
55.05511	4.9
56.05031	2.9
56.96561	1.9
57.03466	0.8
58.06610	4.0
63.81649	0.9
67.59061	0.8
68.05028	1.8
69.03436	1.9
69.93954	4.3
70.06596	23.4
72.08160	100.0
73.02911	1.0
74.43128	0.8
79.05485	2.5
81.07050	3.1
82.06570	1.4
83.08609	3.3
84.08142	18.2
85.02900	1.2
85.07678	8.0
86.09696	1.2
89.03920	1.8
91.05492	2.0
93.07009	1.2
97.02899	6.2
98.03211	2.4
98.09699	16.6
98.97599	5.5
102.05523	2.5
108.08112	1.3
109.06548	3.9
110.07139	2.7
110.09686	43.1
112.07661	1.8
112.11257	13.8
113.07118	3.0
115.12325	7.7
116.98635	4.3
117.03383	1.4
119.04956	1.6
122.09587	0.8
124.07610	1.1
126.09141	1.9
127.12320	5.8
128.03418	1.8
129.10240	1.8
129.13892	3.8
134.99648	1.4
135.04404	2.9
136.06201	23.1
136.07379	1.2
137.06563	1.9
138.09116	2.2
140.14343	6.3
145.02893	1.2
147.04414	1.8
152.07132	1.0
152.14355	25.2
155.11832	1.1
155.15439	2.2
156.14963	6.5
157.17015	22.9
163.03897	7.2
163.06032	0.7
166.08647	4.5
172.06061	1.0
172.94437	1.0
178.07170	0.9
178.08621	1.8
178.12305	3.1
180.10214	1.5
184.09691	4.8
189.13934	0.8
194.11801	11.2
195.12515	2.4
200.02704	0.8
204.10225	1.2
206.11826	2.8
208.05806	0.9
208.13327	1.2
209.20052	1.5
222.11252	7.8
224.12730	3.9
226.22791	80.7
227.23100	1.3
236.12747	1.8
238.09473	2.3
243.69818	0.8
250.09430	2.7
251.09663	5.2
254.13876	2.0
256.03775	1.1
259.14349	1.0
260.12857	1.9
264.18365	1.2
265.19180	2.0
268.10468	3.5
274.02994	1.0
274.97455	5.7
277.15500	2.2
278.13892	4.5
281.20987	1.0
282.21841	2.2
284.79773	1.0
292.98596	2.5
293.15067	3.3
294.13327	1.2
295.16580	3.5
296.14752	5.2
311.16064	7.3
313.17624	4.5
314.15988	2.3
322.21335	4.7
331.18759	1.3
340.04657	1.4
340.22656	0.9
346.21301	6.5
364.22250	6.6
382.23367	17.5
383.21790	5.2
400.24454	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13256	0.6
58.59468	0.7
62.31380	0.6
70.06580	4.1
70.83381	2.3
72.08141	1.9
74.25334	0.8
76.02202	0.9
77.28571	0.6
84.04504	0.8
84.08140	2.7
86.09693	1.6
94.06564	0.9
103.05473	0.9
106.06525	0.7
110.07140	1.3
122.06056	1.2
123.06809	0.8
124.07576	2.3
129.10236	1.4
130.06526	11.3
134.06021	32.7
136.07564	2.0
138.05508	1.2
140.07030	2.1
148.07552	0.7
149.07109	7.2
150.05511	15.9
151.08641	0.8
152.07071	68.5
152.49272	0.6
161.07112	1.2
162.07845	1.4
163.08669	5.0
164.07092	1.0
166.07373	2.2
168.06497	1.0
173.07149	1.4
175.08670	10.2
176.09439	16.8
184.04259	1.1
191.08162	1.2
194.10426	1.0
209.07361	0.7
219.07632	13.3
220.08463	3.2
225.08794	1.0
227.08488	13.9
237.08737	7.0
271.07474	100.0
272.07721	2.4
331.93137	0.7
346.30194	1.0
400.23529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87929	1.5
55.01875	2.4
55.05514	10.5
57.03427	1.5
57.07068	4.4
61.14540	1.2
67.05503	11.1
68.67039	1.2
69.03413	2.5
69.07067	11.6
71.05009	2.2
71.08630	14.5
71.58433	1.6
75.83924	1.6
79.05491	10.7
81.07054	21.3
83.04973	1.4
83.08606	4.2
85.06527	2.6
91.05488	8.2
93.06539	1.7
93.07053	15.8
95.04974	8.6
95.08606	17.0
97.02875	3.1
97.06541	3.8
97.10175	3.2
99.08099	10.1
101.06009	2.0
105.07034	12.9
107.08607	13.5
109.06522	23.8
109.10162	4.3
111.08125	1.4
117.07054	2.0
119.08592	11.6
121.06485	12.2
121.10149	9.5
123.08063	4.7
123.11700	2.3
129.05464	1.7
129.06979	1.4
131.08568	7.3
133.06477	1.5
133.10133	5.5
133.33253	1.3
135.08011	7.3
135.11711	3.3
136.06181	2.2
137.09642	2.8
139.11166	2.0
145.10147	8.0
147.08038	2.1
147.11679	4.6
149.09647	2.5
149.13312	3.3
155.08524	2.2
159.11745	3.7
161.13269	1.9
163.11192	6.7
165.12756	43.6
173.13272	3.2
175.14793	1.5
177.12730	9.3
181.15900	6.8
187.14806	3.0
191.14255	10.2
193.12123	1.4
205.15915	1.4
219.13876	1.4
233.92426	1.4
244.83177	1.5
251.16475	1.5
253.19447	1.7
253.52504	1.4
261.22131	22.3
271.20520	2.8
289.21613	100.0
290.21942	1.8
307.22662	22.8
317.27777	1.3
344.59399	1.4
363.25333	9.1
364.25571	1.5
381.26337	45.6
382.26596	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	399.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01884	0.8
55.05517	0.7
56.05032	1.5
57.03447	2.3
57.05805	0.4
58.02431	0.3
61.02917	0.8
68.05038	0.6
69.03432	3.4
69.07062	2.3
70.06596	100.0
70.30580	0.7
70.30962	0.8
71.05003	0.4
71.06935	0.5
72.08162	17.8
73.02916	0.4
79.05499	0.4
81.03432	1.2
84.04499	1.0
84.08157	1.3
85.02911	7.9
86.09709	19.3
87.02693	0.7
91.05500	0.8
97.02905	6.2
98.06068	4.1
99.04456	0.5
100.02203	0.5
101.06011	0.4
102.05570	1.9
103.03983	0.8
103.05475	16.0
109.02878	1.2
110.07192	1.7
111.04443	0.5
112.02182	0.4
116.05350	0.4
116.07115	1.3
117.03717	0.5
117.05527	0.4
120.08064	0.4
121.06505	0.4
126.05531	1.8
127.03947	2.1
127.04791	0.4
129.05533	0.5
129.10283	0.9
130.04138	0.7
130.06537	0.5
131.04938	30.3
132.05296	0.7
133.01466	0.4
133.06410	0.4
134.06041	0.8
136.06163	3.6
145.04985	0.8
147.04515	0.4
147.96472	0.4
148.05209	3.4
150.05525	0.5
152.07076	1.8
153.85951	0.4
160.07585	0.6
161.06042	1.4
162.06776	0.4
163.03922	0.4
163.07547	13.6
163.98494	0.4
167.15385	0.4
169.13374	28.6
176.02104	0.3
178.05348	0.6
182.08096	0.5
183.14944	9.1
184.15395	0.4
185.16484	0.7
187.10786	0.8
189.12349	6.4
197.12868	14.5
201.09137	0.4
211.14427	13.8
211.16429	0.8
219.07819	0.6
237.00829	0.8
250.09396	3.1
255.01909	0.5
255.06717	0.5
261.05447	0.4
268.16486	0.5
271.07553	2.0
273.02914	0.4
282.21722	0.5
286.17624	26.1
287.18073	0.7
298.09674	0.8
298.19952	0.4
310.21259	5.1
381.06161	0.4
399.26062	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	399.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.8
53.03941	1.6
55.01883	1.1
57.03437	7.1
57.43117	1.0
61.02909	2.1
69.03438	11.8
69.86242	5.0
69.86647	2.3
70.06596	15.0
70.13594	1.2
71.04993	1.5
72.08142	4.0
72.34194	1.1
75.04476	1.9
81.03416	5.1
84.08128	1.9
85.02904	23.6
86.09711	5.4
87.04443	1.6
89.05141	1.1
91.03947	2.5
97.02888	13.1
98.21325	2.6
99.04426	2.8
103.03946	4.3
103.05469	48.0
105.44343	1.1
109.02870	3.6
110.75858	1.1
117.05498	1.7
127.03893	5.7
129.05452	1.2
131.04930	100.0
134.05974	1.1
136.06169	2.5
141.52614	1.3
145.04977	4.2
148.05202	13.4
158.12062	1.1
161.05957	4.1
163.07545	50.4
169.03796	1.3
169.13374	2.7
175.07460	1.1
181.50314	1.1
182.08202	1.3
182.43590	1.3
183.14996	1.4
187.10721	1.6
201.09204	1.5
211.14503	1.4
237.11383	2.1
250.09349	1.9
267.99945	1.2
278.45200	1.2
286.17767	2.4
287.08084	1.1
330.51559	1.3
399.25815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1448
Annotation	S-Adenosyl-L-methionine
Peak:m/z	Relative Intensity
55.40086	0.7
56.04780	1.2
56.05040	16.8
56.96560	7.6
60.95855	0.9
61.01158	5.7
61.01431	1.2
68.04861	0.7
69.03426	7.4
70.06596	4.2
70.83592	1.2
70.83904	1.3
72.08168	1.8
74.02438	4.8
74.06083	6.6
75.02703	2.7
77.13000	0.8
78.02215	0.8
84.04523	4.2
84.08149	3.3
85.02901	1.7
86.09718	2.2
89.03946	1.6
89.95120	0.8
97.02899	77.4
98.97590	10.1
102.05545	31.8
110.07166	2.5
116.98613	5.6
119.04959	1.5
130.93318	2.2
132.10240	1.4
134.99702	3.4
135.04427	1.7
136.06194	100.0
137.04517	0.8
138.05493	2.3
145.03142	2.8
147.04425	2.2
152.05688	2.4
158.99553	1.0
162.07854	1.0
163.03911	6.3
164.07091	3.6
165.07822	1.1
172.94353	7.0
176.93872	1.6
177.00818	1.4
189.01004	1.1
190.95424	7.8
191.02599	1.1
192.98723	1.0
196.99525	1.3
202.95573	1.2
208.96494	3.8
213.00719	2.0
217.00430	5.8
218.00706	0.9
218.94836	4.3
219.01768	1.5
223.10783	0.9
231.02068	1.9
232.08318	1.3
232.96429	1.1
235.01675	1.3
236.96039	2.6
237.02823	1.3
238.09395	3.3
238.53255	0.9
245.03542	1.0
250.09372	89.9
251.09583	1.1
255.01720	1.3
256.96338	1.6
259.01373	1.1
264.09119	3.9
271.01578	3.3
273.02869	1.1
274.97446	9.4
274.99750	0.8
277.02332	1.3
286.02911	2.4
289.02493	4.6
292.98685	5.6
298.09677	15.9
299.01294	4.4
304.03854	10.3
316.98654	1.4
317.02097	11.2
318.02216	1.3
322.04721	6.2
333.01160	1.3
339.04135	2.9
346.00229	1.1
346.06924	1.0
354.99673	1.0
357.01382	2.1
357.05597	1.5
375.03577	2.6
375.08878	1.0
378.02670	1.2
399.02722	1.9
399.11194	3.2
399.19083	1.5
417.12271	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40408	0.6
54.78973	0.6
55.73248	0.6
57.03435	0.8
69.03429	1.6
70.06577	2.6
71.02179	0.8
72.08161	1.1
84.08165	0.8
85.02909	4.1
86.09702	1.0
96.28723	0.5
97.02886	2.7
103.05445	0.8
105.07072	0.6
114.93080	0.5
116.07082	0.9
117.05787	2.2
127.03910	0.8
130.06535	7.7
132.04457	4.1
132.08095	5.5
134.06110	0.8
136.06216	1.0
145.05211	4.8
146.05983	0.9
147.06786	10.6
148.07588	3.6
158.07144	1.8
160.07584	100.0
161.07973	1.5
162.09239	0.8
171.05545	1.3
172.07576	0.9
174.09128	0.9
179.03996	1.2
185.07191	0.9
186.07861	4.0
188.01675	1.0
189.02451	0.8
202.08640	1.4
203.03938	2.9
204.04807	5.6
207.61436	0.7
210.35974	0.8
219.05910	1.0
237.06937	22.4
250.09384	0.9
279.08118	0.8
336.74896	0.6
359.88815	0.6
399.10638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98630	0.4
56.96569	8.3
69.36747	1.4
69.37174	1.5
71.95264	1.8
92.66645	0.3
97.02877	0.8
98.20841	0.7
98.97582	73.6
116.98621	46.5
130.93298	1.0
131.00166	0.4
134.99660	18.1
139.19540	0.4
140.00156	0.5
149.01154	0.4
153.00713	1.6
158.01300	0.4
168.24614	0.5
172.94365	3.8
190.95389	3.7
202.18559	0.4
208.96400	1.2
214.95300	1.9
220.87715	0.3
230.98593	0.4
232.96469	7.0
250.97539	3.8
256.96405	13.8
258.99799	3.0
261.02942	0.6
274.97507	100.0
275.97702	0.6
277.00812	3.7
283.00046	1.5
288.98950	1.2
292.98557	59.1
293.99063	0.4
297.99222	2.9
301.01059	1.1
303.00891	0.6
306.99963	1.0
310.99637	0.5
316.00125	1.0
357.03247	0.6
374.98306	0.5
398.97684	1.4
416.98718	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	398.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.8
67.05506	16.2
69.07072	13.2
69.82697	37.1
71.08630	17.1
79.05518	7.5
81.07067	24.7
91.05476	31.6
93.07033	7.6
95.08598	23.7
98.20891	19.2
98.21476	8.4
99.08108	15.4
105.07049	9.3
107.08623	9.4
109.06532	16.2
109.10157	9.1
119.08558	11.1
121.10116	9.2
165.12770	36.1
194.19731	7.3
209.18970	11.9
289.25397	17.2
317.24811	81.4
335.25797	100.0
398.36176	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	398.2691
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03936	1.4
55.05499	2.8
56.27196	0.6
57.07046	0.9
59.44609	0.5
64.20400	0.7
65.03946	0.8
66.77023	0.5
67.05497	3.6
68.05018	2.7
69.03383	0.6
69.07063	2.0
69.73344	3.7
70.06593	14.7
79.05503	6.4
79.69478	0.6
80.05025	1.4
81.07059	6.2
82.06565	0.7
83.04970	0.6
83.08603	1.2
84.08133	0.7
85.06511	0.8
91.05482	8.9
91.63634	0.6
93.07043	8.0
94.06582	1.4
95.04958	3.5
95.08594	3.8
96.08137	3.9
97.06519	1.4
98.06036	0.9
98.20765	1.2
98.97542	0.7
100.07625	5.7
101.04240	0.8
105.06365	1.1
105.07027	12.7
106.06606	1.1
107.08587	6.4
108.08121	2.8
109.10161	1.8
114.05537	5.7
116.06309	0.8
116.07102	6.8
117.07034	3.8
118.06583	0.7
119.08581	16.5
120.08112	6.0
121.08913	0.8
121.10132	4.0
122.09660	2.8
127.10667	0.6
128.06238	1.5
128.07069	6.8
129.06984	2.4
130.06535	1.2
130.07774	1.9
131.08578	8.3
132.08084	0.9
133.08932	1.6
133.10126	6.8
134.09660	1.6
135.08041	1.5
135.11716	0.9
136.06149	1.4
136.11214	1.5
140.07047	0.7
140.10651	0.7
142.07773	2.2
143.08540	4.9
144.09312	0.8
145.10146	11.5
146.09625	1.2
147.10558	0.7
147.11673	2.5
148.11214	6.2
149.13252	0.9
151.06302	1.5
154.08623	2.3
155.08543	1.4
156.09290	1.5
157.10130	5.2
158.09650	0.7
159.10564	0.7
159.11684	3.0
160.11215	1.1
161.09647	0.9
161.13200	1.1
162.12836	1.0
163.14891	0.7
164.07092	1.6
166.08670	1.5
167.08540	1.2
168.10236	21.8
169.10155	2.7
171.11757	3.4
173.13263	5.0
174.12738	0.9
175.14836	2.9
178.08655	6.8
179.08633	0.7
182.10841	1.0
183.11705	4.2
185.13254	2.8
186.12766	1.5
187.14842	1.4
191.14282	0.7
192.10130	3.0
194.11826	9.1
195.11790	1.7
197.13310	2.0
199.14827	1.8
200.14313	0.9
201.16582	0.8
206.11745	1.6
207.50822	0.6
208.11209	2.6
209.13297	4.0
211.14796	1.2
223.14844	1.2
230.11835	1.2
232.13345	1.3
234.14922	1.2
244.13455	0.7
250.09346	1.2
258.14969	1.2
260.16458	4.3
265.19604	1.1
306.20590	3.3
326.24173	0.6
355.08249	0.7
380.25858	10.3
398.26901	100.0
399.27081	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	398.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
56.05026	1.9
61.53058	1.2
69.90890	5.0
70.02962	1.2
70.06588	3.9
71.05785	1.2
71.06126	16.5
72.04522	3.6
72.08153	1.1
74.00680	2.0
74.02441	15.0
76.02218	1.6
77.00632	14.9
78.03781	1.8
79.47337	1.0
84.04497	3.1
84.08147	1.3
85.06560	1.6
86.06085	1.5
86.09710	2.7
88.89835	1.1
92.98338	1.6
97.02901	4.8
98.20936	2.0
98.21481	1.5
99.05581	2.4
102.03786	2.6
102.05538	1.4
107.99438	1.6
110.07164	5.8
113.05994	2.6
118.02402	2.1
118.03247	36.7
120.01111	2.5
120.04810	2.6
123.04301	1.2
124.07574	1.7
130.03218	6.5
131.06337	1.6
132.04811	3.1
134.00946	1.4
135.04399	1.2
136.06183	5.8
141.25797	1.0
142.08632	4.5
147.02258	3.4
147.05876	83.0
149.07454	18.9
151.98369	27.7
154.34741	1.2
156.07744	1.3
163.03900	2.0
176.02042	1.3
176.75635	1.1
177.06851	1.2
181.04523	1.9
184.09666	2.1
197.04126	2.9
205.04721	3.0
205.96741	1.2
213.12334	1.9
222.07292	2.4
239.05092	2.1
250.09450	4.4
251.05209	4.3
259.11234	1.5
268.07861	100.0
269.08118	2.2
270.79758	1.2
301.10211	1.2
380.13144	28.9
381.13455	1.4
409.93573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	16.8
55.79269	1.8
56.66596	2.2
57.07077	16.6
58.92406	2.1
59.20304	2.0
67.05511	32.7
69.07069	32.9
70.01174	10.5
71.08634	17.3
79.05496	13.2
81.07064	49.4
83.08619	17.3
85.10184	13.9
91.05477	17.7
93.07050	26.4
95.08050	3.3
95.08614	52.2
97.10181	12.3
97.10680	2.2
97.13670	2.0
104.51325	2.3
105.07034	28.4
107.08606	25.1
109.10152	38.5
109.23190	2.1
111.11732	8.8
119.08594	23.9
121.10171	18.3
123.11700	13.1
125.13335	2.3
131.08574	4.6
133.10132	18.8
133.34508	2.6
135.11699	36.0
137.13245	7.6
145.10127	7.1
147.11690	64.3
149.13298	19.0
151.14790	5.5
159.11674	3.9
161.13272	47.0
163.14796	7.1
165.16467	4.3
173.13255	5.2
175.14833	17.7
177.16429	2.5
179.18030	2.9
187.14836	4.6
187.34482	2.2
189.16420	12.0
201.16350	6.1
203.17964	8.9
212.42773	2.1
215.17949	9.5
217.19553	4.4
221.22694	2.6
229.19406	4.0
231.21321	2.2
243.21109	8.5
246.91624	2.8
247.24194	4.6
250.82759	2.2
257.22699	9.7
261.25842	6.3
262.89478	3.5
275.27472	4.0
287.27219	5.3
299.27307	2.5
301.29089	3.0
315.30609	3.8
350.94705	3.2
392.95938	3.2
397.38293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.05512	1.3
57.07072	1.7
65.03944	1.4
67.05498	2.7
69.07072	2.3
69.58855	2.7
71.08639	2.7
79.05476	2.6
81.07061	3.9
83.08630	0.5
85.06568	0.7
87.82787	0.4
89.06036	0.9
90.97299	0.4
91.05483	100.0
92.05805	1.4
93.07031	3.4
95.04960	4.1
95.08613	3.7
96.66459	0.4
97.06555	1.2
99.08102	1.5
105.07041	2.9
105.87921	0.4
106.06564	12.2
107.08615	2.3
108.08122	16.3
109.06519	5.9
109.10176	1.5
114.99005	0.4
117.07028	1.3
119.08611	1.6
121.06525	1.5
121.10160	0.8
123.04590	0.5
123.08120	0.6
129.06960	0.8
131.08574	1.6
133.10152	1.1
135.08080	1.3
140.07773	0.5
143.08572	0.9
145.10138	1.4
147.11723	1.1
149.09636	0.6
149.13289	0.8
157.10222	0.6
159.11746	0.7
161.13277	0.6
163.11250	0.5
165.12764	24.1
173.13243	2.1
175.11180	1.2
176.10719	0.8
177.12700	0.4
179.14285	0.4
183.11722	0.8
187.14964	0.5
190.12216	0.6
191.14313	2.8
197.13272	0.4
201.12787	1.7
204.13811	0.5
244.16985	1.8
253.19547	0.5
271.20615	1.6
271.58655	0.5
274.18076	0.7
282.18646	1.4
289.21695	3.3
289.24423	0.6
298.21704	5.0
378.28043	1.0
379.26031	0.6
396.29099	10.0
396.34418	1.7
397.29352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	28.6
55.14912	5.1
57.03435	12.9
57.07068	5.9
65.14600	5.0
67.05508	86.9
69.03423	20.3
69.07075	29.7
69.56351	5.8
69.65292	40.5
70.71468	5.4
79.05487	70.4
81.03416	36.3
81.07058	100.0
83.04971	26.4
83.08627	12.8
85.02901	14.4
85.06526	12.1
87.04478	7.2
91.05482	61.3
93.07044	78.8
95.04969	18.5
95.08617	48.5
97.02885	11.4
97.06551	8.6
99.08078	7.6
105.07043	52.8
107.08598	41.3
109.06502	12.3
109.10161	31.6
117.06995	16.6
119.08613	30.3
121.06532	11.0
121.10155	37.8
123.07994	8.4
123.11710	10.4
129.06961	14.6
131.08572	39.6
133.10130	33.2
135.08012	10.4
135.11687	35.8
135.79849	6.6
137.09666	9.4
143.08577	15.2
145.10118	31.8
147.11662	28.4
149.09608	8.1
149.13199	10.5
157.10112	15.0
159.11697	24.7
161.13271	11.4
169.10179	7.1
171.11646	11.3
173.13264	9.1
175.01512	11.4
175.11208	6.9
213.16360	13.4
215.17998	9.2
225.36795	6.3
231.17456	9.8
233.19031	17.5
239.14229	6.0
275.20078	16.5
324.14584	5.5
331.13037	6.1
341.21127	7.5
359.22202	13.3
377.23160	15.2
395.09506	8.4
395.24332	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	395.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.0
55.01873	23.1
55.05514	25.8
57.03424	7.5
57.07058	4.5
62.71664	2.7
65.03922	3.4
67.05164	5.2
67.05505	67.8
69.03440	32.6
69.07066	12.7
69.94492	12.4
71.01339	2.5
71.05000	15.3
73.02906	12.1
75.76241	2.4
78.91817	2.6
79.05495	99.2
81.03420	39.2
81.07055	73.7
83.04982	5.6
83.08609	8.0
85.02908	12.6
85.06552	5.7
91.05482	38.2
93.07050	100.0
95.04974	13.5
95.08615	43.1
97.02897	59.3
97.06524	3.2
99.04459	75.3
99.08102	5.8
101.02351	2.9
105.07033	31.9
107.08595	31.0
109.02884	28.9
109.06539	5.7
109.10159	27.0
111.04426	4.6
111.08022	3.9
113.09653	2.6
117.06990	8.6
119.08591	22.1
121.09305	5.8
121.10141	74.7
123.08047	4.8
123.11703	9.6
125.09623	3.2
127.03920	77.7
129.06999	3.0
130.59303	2.7
131.08586	14.2
133.10117	27.2
135.08049	4.7
135.11682	25.1
145.04971	8.4
145.10115	19.9
147.11687	14.3
149.09636	7.2
149.13274	8.3
151.11186	4.2
157.10086	4.4
159.11699	10.8
161.13158	3.0
163.11154	5.7
171.11700	4.6
173.13252	11.1
177.12895	3.0
187.14830	3.3
213.16376	3.2
215.17964	16.1
231.17363	3.7
233.18990	12.6
303.23318	4.3
329.20816	3.1
377.23550	4.5
395.24368	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	395.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.2
55.01855	13.1
55.05506	20.5
57.03424	8.9
61.60009	3.8
65.03931	4.7
67.05502	52.9
69.03426	10.1
69.07056	8.7
70.41331	9.4
71.04987	9.5
73.02896	8.9
79.05058	6.4
79.05494	99.6
81.03406	9.2
81.07057	63.5
81.70776	3.1
83.08611	9.8
85.02887	8.5
85.15035	3.4
91.05476	38.2
93.07047	100.0
95.04955	12.1
95.08610	38.9
97.02891	78.2
97.06506	5.1
97.10144	3.0
98.20920	4.1
98.21437	3.3
99.04457	48.3
99.08102	4.8
105.07038	26.3
107.08588	31.1
109.02860	11.9
109.06549	4.7
109.10162	24.1
110.38527	3.5
113.09597	3.5
116.42303	2.9
117.07013	13.2
119.08575	27.1
121.06401	3.2
121.09301	5.6
121.10139	85.5
123.11704	7.8
124.61669	3.1
127.03911	30.9
130.06499	7.4
131.08551	11.4
133.10133	21.4
135.11668	20.0
143.08566	5.0
145.04959	18.9
145.10098	13.2
147.11700	10.9
149.13298	5.4
157.10117	5.3
159.11691	15.9
161.13205	5.0
162.67188	3.0
163.04626	3.2
171.11670	4.7
173.13223	11.2
177.12776	3.4
182.66643	3.6
187.14816	4.1
196.65230	3.2
215.17957	18.5
233.19041	7.2
275.20520	3.8
303.23267	4.5
395.25351	5.3
395.29788	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	395.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08876	2.2
53.03946	10.1
54.52252	2.2
55.01868	7.2
55.05508	32.3
56.27394	2.2
57.03441	11.3
57.07079	4.3
59.67393	2.1
61.02919	3.4
63.49850	2.3
65.03926	6.2
66.68142	2.2
67.05504	81.2
69.03432	33.9
69.07069	26.8
70.06594	7.1
70.25886	5.4
70.26254	4.7
71.01361	3.3
71.04991	8.3
71.08631	2.9
73.02927	5.0
75.19766	2.1
79.05493	90.3
79.05960	4.8
81.03415	47.0
81.07058	71.4
83.04997	12.0
83.08621	15.2
85.02924	18.9
85.06551	7.2
86.68360	2.3
89.64670	2.4
91.05481	76.1
93.06461	5.3
93.07047	100.0
95.04968	17.7
95.08609	51.7
97.02892	15.0
97.06531	10.4
97.10150	3.8
98.21299	5.0
99.04471	7.2
99.08100	9.6
100.90311	2.9
103.03950	4.8
105.07028	67.3
107.04971	10.2
107.08603	46.1
109.02891	5.4
109.06519	9.3
109.10146	23.7
111.04434	7.4
111.08089	6.8
115.05486	2.5
115.08687	5.3
117.07011	29.4
119.08577	50.2
121.06514	9.3
121.10145	50.5
123.04491	3.6
123.08038	5.5
123.11708	11.1
125.09612	3.1
127.03916	7.0
128.06229	4.0
129.05508	3.4
129.06995	18.3
131.08559	37.0
133.06503	4.6
133.09219	4.3
133.10133	47.6
135.08083	7.5
135.11688	36.4
137.05962	3.0
137.09595	6.5
139.11169	5.2
141.06979	6.5
142.07741	5.4
143.08577	20.8
145.06529	2.9
145.10115	41.5
147.08067	7.3
147.11688	37.8
149.09613	9.0
149.13293	11.8
151.07558	4.7
151.11157	5.8
155.08575	10.2
156.09337	3.6
157.06522	3.9
157.10127	23.3
159.08015	6.4
159.11668	29.0
161.09625	8.4
161.13263	18.1
163.11212	8.7
163.14819	2.9
165.09097	4.1
167.08601	3.4
168.09325	3.1
169.10159	10.9
171.08052	3.9
171.11690	21.0
173.09680	4.3
173.13245	18.7
175.11229	7.6
175.14726	2.8
177.12762	6.5
179.10628	2.5
183.11671	9.5
185.13249	8.4
187.11174	7.3
187.14828	7.5
189.12761	4.9
189.16327	3.3
191.14317	4.6
195.11781	4.0
197.09561	2.9
197.13289	5.0
199.11328	3.0
201.12709	4.2
203.10652	2.7
203.17995	3.8
205.12202	3.3
207.13812	3.3
211.11266	3.0
213.12889	3.7
213.16505	14.5
215.17905	17.5
219.36639	2.5
227.17984	4.3
229.19582	5.0
231.17392	20.8
233.18993	20.6
245.19009	8.6
247.20564	4.0
249.18515	9.6
257.18979	6.4
261.18573	5.0
263.20224	5.3
275.20090	21.4
287.20032	3.6
291.19574	5.5
299.20081	3.8
303.19574	3.2
317.21204	5.5
323.20013	4.2
331.22369	3.9
341.21106	17.9
359.22244	21.2
377.23370	31.7
395.24243	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	395.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39991	2.9
55.01865	4.5
57.03434	6.6
60.54326	2.7
61.02930	6.9
61.75293	2.8
67.05489	6.0
68.99783	4.4
69.03409	12.6
70.94796	7.1
73.02894	3.8
79.05492	5.3
81.03400	8.4
81.07024	8.9
83.05006	4.1
85.02918	27.8
87.00836	14.9
91.05487	8.8
93.07028	5.1
95.08587	3.7
97.02901	6.2
99.04436	3.9
103.03939	15.4
103.05454	8.4
105.07020	11.0
107.04967	3.5
111.04451	2.9
115.05461	15.8
117.07032	18.7
119.08527	4.9
128.06223	10.4
129.01840	9.8
129.07025	20.6
130.06497	6.0
131.04893	14.7
131.08562	3.1
136.06197	6.4
137.05977	23.0
141.06996	9.1
143.04941	4.0
143.08543	7.0
144.05695	7.5
145.06502	28.6
151.07582	3.1
152.06227	3.6
153.06990	5.7
157.06499	16.8
158.07214	5.0
159.08089	5.6
160.05174	20.9
161.05954	10.2
161.07474	2.7
163.07526	8.4
165.06973	9.1
167.08441	14.8
169.06459	10.7
170.07242	5.3
171.02914	4.1
171.08069	9.3
172.05206	5.2
173.06062	3.3
174.06792	12.4
175.07530	73.2
177.09090	43.5
181.06490	10.2
183.08054	6.3
185.06041	4.2
186.06836	6.7
187.07570	63.8
189.03955	6.5
189.09119	34.8
191.10683	6.8
193.08675	4.7
195.08058	19.1
197.06047	5.6
199.07553	7.2
201.09079	42.3
202.09500	3.6
203.07025	3.8
203.10716	9.5
205.08514	4.5
211.07498	7.4
212.08339	5.5
213.09140	15.4
217.08626	7.1
223.07516	6.2
227.10703	25.1
229.08578	8.9
231.10184	19.8
237.09070	6.3
243.10112	7.1
245.11617	7.9
255.10191	38.0
261.22195	6.3
273.11179	23.6
291.12268	7.9
395.20401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91090	5.9
56.05039	10.0
56.96562	8.5
57.03422	7.3
58.06594	10.8
58.99571	9.9
67.05504	8.3
69.03407	8.2
70.06598	94.0
71.57984	9.8
72.08131	19.0
79.05490	16.5
81.03413	8.9
81.07066	66.4
84.04504	37.2
84.08160	33.6
85.02887	14.1
86.09714	43.2
86.99041	6.9
87.02696	13.6
90.05550	16.8
91.05512	11.1
93.07076	8.8
95.06120	6.9
96.04485	7.7
97.07645	8.3
97.22394	6.1
98.06054	6.8
98.97581	21.3
105.07027	14.0
109.06512	10.0
110.07195	21.0
111.07989	7.1
116.07084	17.4
116.98594	11.9
118.06541	8.3
119.04966	13.3
119.08626	8.7
119.58925	6.2
120.08093	19.0
121.10061	6.0
128.98567	9.0
129.06587	7.8
129.10233	18.2
130.05045	15.6
130.06543	49.1
131.06876	37.6
131.08583	8.9
132.08093	10.4
136.06187	26.6
136.07605	13.5
145.10005	11.9
147.04419	21.4
147.11659	8.9
148.06071	9.1
171.11684	27.5
175.03961	7.5
191.08546	6.8
193.06432	68.2
207.02843	6.4
207.08133	9.1
210.19995	7.0
215.45886	7.0
231.13847	17.7
234.19438	7.1
237.02847	20.9
249.14928	16.8
252.10214	18.7
263.07101	13.3
297.05750	16.1
299.05560	10.9
309.06619	18.2
327.07568	46.5
358.70557	7.4
394.21780	7.8
395.07388	96.9
395.12991	100.0
395.21768	26.1
402.33820	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	394.1645
Annotation	Lucidamine A
Peak:m/z	Relative Intensity
55.01870	12.1
55.10324	1.7
56.05029	4.3
58.16743	1.6
58.99322	1.8
58.99589	19.3
59.05001	2.4
61.01147	3.2
62.99076	16.4
67.05503	9.7
69.07072	81.8
70.13220	1.8
71.04082	3.2
71.04425	2.2
73.01120	2.1
74.00670	18.5
76.02216	4.3
76.04001	4.9
83.06094	5.6
84.04506	64.0
84.08124	4.9
85.01131	1.7
86.99049	9.5
87.02672	2.7
87.52015	1.9
88.02205	9.0
93.07035	8.6
98.21074	2.5
99.05560	2.8
101.04243	21.3
112.03964	17.7
116.01684	52.9
117.03716	21.0
119.05287	33.8
120.08109	1.9
127.04941	2.3
127.05775	14.8
129.06602	11.8
130.05008	56.4
131.04581	2.3
135.51056	1.7
144.01163	20.8
144.08398	5.5
145.06870	37.6
146.02733	1.9
147.04396	3.8
160.00661	3.0
162.02213	91.3
162.09485	12.3
166.30087	1.6
173.06276	2.2
174.02261	3.6
177.03293	4.2
190.08946	2.6
191.07378	3.3
230.08472	59.1
247.11154	7.1
248.09531	100.0
249.09940	2.3
265.12198	38.8
301.12402	1.9
319.13263	28.2
321.74060	1.8
322.79852	2.0
376.15042	2.0
394.16684	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	394.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.4
57.03419	1.0
61.02921	0.5
68.99782	1.0
69.03416	0.5
69.25325	1.1
69.25752	2.6
70.06591	0.6
72.08164	0.7
81.03404	0.6
85.02905	6.2
87.00826	1.9
90.05545	1.0
95.08538	0.4
97.02893	0.4
98.21601	0.6
103.03912	0.5
103.05473	0.7
117.05762	1.0
118.06538	4.1
129.07008	0.5
130.06529	100.0
131.06856	1.5
132.08081	1.7
136.06206	0.7
142.06610	0.5
143.07355	0.3
144.04436	1.2
144.08084	1.7
154.06511	1.0
156.08121	2.3
158.06003	5.7
160.07581	1.8
160.56039	0.3
168.08047	1.7
170.06015	1.5
170.09662	2.0
171.02979	0.8
172.07550	2.7
176.10556	0.3
180.08087	1.7
182.06078	0.3
182.09627	0.4
184.07570	3.1
189.03973	1.6
196.07623	1.1
198.09149	4.7
200.07016	0.4
201.12279	0.7
202.08710	0.4
208.07619	1.1
210.09209	0.8
212.07155	0.6
226.08623	9.1
236.06966	0.6
244.09712	4.0
262.10687	0.8
286.10760	0.6
290.10217	0.6
308.11395	0.4
330.09708	13.2
330.13690	0.7
331.10019	0.6
348.10776	6.7
350.12411	0.5
390.71326	0.4
394.11313	2.8
394.22226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58754	0.4
55.01892	0.7
57.03432	1.1
57.72196	0.4
57.74815	0.4
68.99794	0.7
69.03411	0.6
69.27449	4.6
69.27787	0.6
69.85353	0.4
74.67690	0.5
85.02915	5.7
87.00819	1.6
91.85734	0.5
98.21120	2.3
103.05466	0.7
117.05733	0.6
118.06548	3.6
129.07037	1.2
130.06535	100.0
131.06854	1.9
132.08067	0.9
144.04482	1.1
144.08119	1.8
146.06078	0.6
154.06531	1.0
156.08086	2.3
158.06024	5.1
159.02971	0.7
160.07591	2.3
168.08139	1.6
170.06046	1.6
170.09683	1.9
171.02881	1.0
172.07602	3.0
180.08075	2.0
182.06133	0.5
184.07623	2.7
186.05540	0.5
189.03952	2.0
196.07582	1.0
198.09164	3.9
202.08699	0.5
208.07596	1.1
214.08746	0.4
214.28137	0.5
226.08638	10.5
244.09741	3.2
262.10849	0.7
286.10800	1.2
304.12189	0.5
310.85324	0.5
312.08722	0.6
315.36871	0.4
330.09723	13.6
331.09970	0.6
348.10797	8.0
376.10187	0.5
394.11392	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.3
55.05505	17.5
57.03431	2.5
57.07076	13.4
65.03915	4.1
67.05181	2.5
67.05508	38.2
69.03410	4.2
69.07061	21.2
69.54108	12.6
71.08616	8.6
77.03933	3.3
77.07743	2.3
78.98395	2.2
79.05492	40.4
81.06574	3.7
81.07052	67.4
83.04979	6.2
83.08607	9.7
85.06545	5.2
85.10192	3.5
91.05479	60.8
93.07047	81.8
95.04967	59.7
95.08602	61.7
97.06515	8.7
98.98460	21.0
103.05487	3.8
105.07030	100.0
107.08591	56.3
109.06532	14.6
109.10145	26.2
111.08064	2.8
115.05460	5.7
117.07016	21.3
119.04944	2.9
119.08580	83.1
121.06521	19.8
121.09319	2.7
121.10153	40.6
123.08042	6.3
123.11752	14.8
128.06224	10.0
129.06979	20.3
130.07773	10.3
131.08574	47.4
133.06520	4.6
133.10127	51.9
135.08041	5.8
135.11661	19.0
137.09541	3.0
141.06990	9.2
142.07768	30.4
143.08571	34.6
144.09329	9.3
144.35677	2.5
145.06471	2.5
145.09030	5.0
145.10118	71.0
146.07314	2.6
147.08101	4.3
147.11667	19.7
149.09625	4.2
153.07040	4.2
154.07742	5.0
155.01036	28.8
155.08517	14.4
156.08127	2.6
156.09268	11.2
157.10127	60.0
158.10905	9.0
159.08060	6.3
159.11691	44.1
161.09581	15.4
161.13206	8.3
163.11104	3.4
163.14815	2.9
165.07025	3.9
167.08594	5.4
168.09315	7.5
169.10106	24.9
170.10867	6.5
171.11671	23.6
172.12491	3.0
173.09602	5.4
173.13260	22.9
175.11189	9.7
175.14798	17.8
179.08543	7.4
180.09261	5.4
181.10161	11.3
182.10902	6.1
183.11696	21.5
184.12425	3.6
185.09634	2.4
185.13232	12.9
186.14023	3.8
187.11163	10.5
187.14793	11.8
189.12723	3.3
192.09340	2.8
193.10161	8.3
194.10904	5.8
195.11726	8.9
196.12457	5.3
197.13226	15.2
199.14796	8.4
201.16406	7.3
206.10844	5.7
207.11681	5.5
208.12476	2.9
209.13179	14.3
211.14842	11.3
213.16275	4.6
221.13229	5.2
223.14810	7.7
225.16359	5.7
227.14223	3.6
235.14815	6.7
237.16339	2.5
241.19453	4.2
253.15865	5.4
253.19435	2.8
265.19595	4.2
293.19073	2.5
300.91837	2.5
375.26694	4.8
393.27634	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	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61175	2.2
55.05529	10.4
57.03439	6.8
57.07078	30.9
67.05511	22.8
69.07072	12.2
71.08636	27.1
79.05498	11.1
81.07066	34.4
82.30851	2.3
83.08629	13.3
85.06542	2.8
85.10178	12.2
91.05489	10.5
93.07046	19.4
95.04971	19.1
95.08617	36.7
97.06529	3.3
97.10195	4.7
98.20724	5.5
98.21423	8.3
98.98472	61.1
101.35851	2.3
105.07040	21.2
107.08618	12.2
109.06510	4.8
109.10159	16.9
111.11731	2.6
117.07037	6.7
119.08592	20.9
121.06472	3.9
121.10158	10.3
123.08111	2.4
123.11716	5.8
129.07024	2.7
130.07777	2.1
131.08554	11.6
133.08594	2.8
133.10129	11.4
135.08069	2.6
135.11682	5.3
142.07796	5.8
143.08588	8.3
145.10106	15.0
147.11678	7.1
155.01047	100.0
156.09358	3.5
157.10136	8.6
158.10956	2.9
159.11717	11.3
161.09665	4.7
167.08562	2.6
169.10133	6.1
171.11763	3.9
173.13289	4.3
175.14893	3.3
181.10162	3.8
183.11685	3.9
187.11206	2.8
195.12106	2.5
207.11572	2.2
209.13251	3.7
239.23692	8.2
275.71326	2.7
336.36053	2.3
393.27905	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	393.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62119	1.3
57.06859	1.3
57.07082	13.6
58.07402	3.9
67.05502	2.3
69.07066	2.1
79.05486	1.7
81.07040	2.6
90.64783	1.5
91.05475	2.3
93.07054	2.1
95.04935	1.4
105.07059	2.5
107.08600	3.0
119.08578	2.0
130.06543	3.2
143.08548	1.7
149.06012	1.6
157.10088	2.1
163.49608	1.4
166.40456	1.4
171.11784	2.2
212.93025	1.4
308.19553	2.7
309.19846	7.0
347.24777	1.3
375.24750	10.4
393.26114	100.0
394.26517	2.7
394.91864	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2061
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
55.05504	0.6
57.03401	0.5
57.07067	0.9
61.34348	0.3
65.03931	2.4
65.80963	0.3
67.05486	1.3
69.07088	2.0
69.60197	0.3
70.06504	0.3
71.08620	0.6
71.58282	0.5
75.43771	0.3
77.86565	0.3
79.01939	0.4
79.05490	0.5
81.07052	2.0
83.08603	0.4
88.11223	0.4
93.03411	1.8
93.07034	0.7
95.01282	0.5
95.04946	0.5
95.08596	1.5
98.98466	1.4
105.07056	0.5
107.08646	0.4
109.10142	0.8
119.04943	0.3
119.08643	0.5
121.02862	2.3
121.06500	1.1
121.10156	0.4
127.14478	0.3
131.01277	4.1
147.04407	0.8
147.34503	0.3
149.02345	41.6
150.02654	0.5
155.01082	1.9
163.03847	1.7
167.03407	100.0
168.03697	0.9
169.03886	0.5
181.04962	0.9
203.07045	0.4
217.08649	0.5
245.53467	0.3
269.08093	44.1
270.08450	1.3
273.14832	3.3
281.69159	0.3
283.09647	1.5
309.26321	0.4
325.14471	0.5
337.14337	0.9
344.99533	0.3
352.95285	0.3
393.20633	11.0
393.35675	0.7
415.68991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08422	1.2
55.05500	4.0
60.24884	1.0
63.30608	0.9
67.05489	2.4
69.07059	1.7
70.06589	2.8
71.58419	1.1
71.58818	1.0
72.08150	1.6
75.22948	1.2
79.05466	1.4
81.07042	4.1
82.37852	1.0
84.04480	1.3
84.08154	1.2
85.02884	2.0
86.09708	1.9
87.02689	1.1
91.05466	4.4
93.07065	1.6
95.04964	4.4
95.08577	1.2
97.06533	3.5
105.07040	3.1
107.08611	1.9
112.33254	1.0
115.05466	9.0
117.06925	1.0
118.06541	4.9
119.08568	1.6
120.08115	2.2
122.02714	5.8
123.04494	1.5
129.07030	2.4
130.04970	1.1
130.06586	1.2
131.04959	1.5
131.08588	1.9
132.01157	1.1
133.06458	2.0
138.10362	1.0
141.07047	1.6
143.04924	14.8
143.08525	1.4
146.06010	52.0
147.04430	3.7
147.06413	1.6
152.06151	1.7
157.10004	1.2
157.42851	1.2
159.04753	1.5
161.05988	23.3
163.03868	1.5
164.07005	1.5
167.08492	5.5
171.08061	1.6
173.05980	2.6
174.05438	1.3
174.06754	2.5
175.03880	2.2
175.07558	1.6
176.04729	2.8
177.05458	3.2
180.99371	1.0
185.09612	2.4
189.05469	100.0
189.09084	3.7
190.05791	1.7
195.08029	6.3
200.15202	1.4
202.08998	4.8
203.03278	1.2
203.07207	1.7
203.10686	4.6
213.09116	8.9
215.07072	4.4
217.05011	2.6
217.08678	2.8
220.09961	1.9
231.10153	13.3
241.08650	6.7
259.09708	10.2
295.07446	4.3
387.34695	1.2
393.20898	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.6
67.05467	0.9
67.22174	0.9
69.03426	1.1
70.05830	3.6
70.06584	2.6
72.08150	0.8
79.05492	1.1
81.07005	1.0
83.06099	4.5
84.04484	1.5
84.06435	1.2
84.08135	1.2
85.02908	1.3
86.09715	1.5
95.04952	1.5
97.06536	1.5
98.21293	2.3
101.04238	4.1
102.91958	0.8
105.07037	2.5
107.06094	5.5
108.06399	1.8
115.05408	1.1
120.08104	2.0
123.04446	1.4
128.06200	1.4
129.06717	1.9
130.04999	1.7
130.06554	1.4
135.04468	1.2
135.05501	1.5
139.42149	0.8
140.17726	0.7
141.04813	1.9
142.07826	1.1
143.08450	1.9
146.06009	3.7
152.06232	6.7
153.06584	9.6
154.06938	6.4
159.91270	0.9
160.05228	1.3
161.05978	3.8
165.07016	3.5
166.07756	0.9
167.08566	22.3
169.06442	1.0
173.05934	1.1
174.06764	3.4
175.07555	5.5
181.06227	0.9
185.05977	1.6
185.09531	1.5
187.05365	2.0
188.05724	1.5
189.05339	0.8
189.09085	4.7
195.08063	30.7
198.06766	5.5
199.07138	16.2
200.07481	11.5
202.08951	0.9
203.07068	4.1
203.10664	1.5
213.09100	46.1
214.09456	1.2
215.06969	1.3
217.08563	1.2
223.07526	2.0
226.06212	1.1
231.10150	16.0
233.05916	2.5
234.06224	1.6
241.08588	9.4
259.09650	23.4
259.12299	1.4
264.15894	2.5
264.26852	1.0
271.04361	1.5
276.01968	1.1
307.11627	4.9
331.11606	1.0
349.12570	35.7
393.11563	100.0
393.18701	9.1
394.11981	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	392.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17662	3.6
52.60118	4.2
53.03941	4.8
55.05505	11.9
57.07068	8.4
61.48512	3.8
67.05503	23.4
69.07063	15.4
69.41534	34.6
70.05569	3.7
70.05948	4.5
71.04973	3.7
74.67181	4.0
79.05517	27.7
80.06245	4.4
81.07056	45.1
83.04964	7.1
83.08608	8.7
85.06543	7.2
91.05486	46.5
93.07053	50.0
93.11891	3.7
95.04957	31.0
95.08607	28.4
98.20772	9.1
98.21429	9.5
103.05490	6.4
105.07034	97.4
106.07812	8.5
107.08611	41.6
108.05741	7.1
108.09404	4.0
109.06500	12.0
109.10151	16.0
115.05482	7.4
117.07040	31.5
119.04941	4.3
119.08579	81.8
120.09381	17.2
121.06522	13.1
121.10144	27.1
128.06204	13.4
129.07051	22.7
130.07782	12.7
131.08556	51.5
132.09375	5.3
133.10152	37.8
135.08051	6.7
135.11697	11.2
142.07799	27.4
143.08586	51.2
144.09290	15.0
145.06535	5.2
145.10130	100.0
147.08049	7.1
147.11722	24.0
148.69414	3.9
148.84715	4.0
149.02342	12.8
149.09657	8.0
150.02672	6.8
155.08563	13.6
156.09363	20.4
157.10132	53.4
158.10886	11.2
159.08055	5.7
159.11691	52.0
161.09569	9.9
161.13304	10.3
163.11285	6.3
165.06978	5.2
167.08577	7.1
168.09329	7.1
168.72702	3.9
169.10170	25.4
170.10985	7.9
171.08087	4.2
171.11708	38.5
172.12276	6.2
173.09628	9.2
173.13243	32.3
175.14781	13.6
179.08592	7.4
180.09192	4.0
181.10123	15.9
182.10890	7.6
183.11717	21.4
185.09584	4.8
185.13234	16.6
187.14815	11.7
189.12788	9.5
193.10136	8.9
194.10902	6.2
195.11749	12.0
196.12486	5.6
197.13217	21.9
198.14093	4.2
199.11160	9.2
199.14781	12.5
201.16414	16.1
203.14394	5.7
207.11615	6.6
208.12537	4.1
209.13235	16.0
210.13934	5.2
211.14839	16.5
217.15778	5.1
221.13277	9.4
223.14815	9.7
225.16479	6.6
239.14436	5.1
239.17926	5.2
241.19615	4.5
249.16394	8.9
251.17946	5.2
253.19423	6.6
313.21719	4.8
377.24744	4.8
392.26675	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25946	1.0
54.80404	0.9
55.01861	2.2
55.05509	1.6
56.05034	3.1
56.44013	0.9
57.03438	14.7
57.07054	0.9
57.94476	0.9
58.42838	0.8
58.99590	10.1
64.28693	0.9
65.03951	1.2
67.05497	1.2
70.87332	2.8
76.02230	50.1
76.03975	1.2
81.07069	1.7
82.07171	1.1
83.05019	1.0
83.06123	2.2
84.04506	25.5
84.08152	6.2
85.01137	1.0
85.06547	24.1
85.56493	0.9
86.99030	2.6
87.02689	1.4
87.79683	1.0
88.02218	2.2
89.00629	2.8
96.08140	1.3
99.02683	5.6
99.05606	1.2
100.71494	1.1
112.03963	2.0
114.22830	0.9
116.01678	14.4
116.05312	1.5
117.03722	100.0
125.04216	4.5
129.06598	6.4
130.05020	14.0
141.04869	1.0
142.03246	4.8
142.06876	10.1
142.08601	2.4
143.05275	5.3
144.01166	6.8
145.06000	1.5
149.02359	1.8
160.07924	22.3
162.02193	26.8
172.15465	1.0
179.04861	19.1
187.05380	1.9
215.04843	1.7
233.05901	3.6
245.05702	2.6
245.09557	93.4
246.07870	8.5
263.10590	7.1
299.10855	1.1
308.09149	1.2
317.11642	15.5
374.13858	1.0
392.14651	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03859	1.1
53.04072	0.6
55.05395	5.9
55.05693	2.5
57.03316	2.4
57.03622	1.0
57.06958	3.1
57.07261	1.1
57.96229	0.5
65.03838	0.6
67.05371	7.5
67.05775	2.2
69.03306	2.7
69.03714	1.0
69.06936	11.8
69.07360	3.4
69.86413	2.3
71.08534	0.9
79.05353	6.1
79.05846	1.1
81.06913	13.5
81.07448	2.6
83.04873	0.6
83.08471	5.1
83.09007	0.9
85.06416	0.9
91.05332	6.8
91.05946	0.9
93.06891	15.9
93.07534	1.9
93.07893	0.6
95.04814	2.8
95.08450	7.5
97.06380	1.4
97.10043	0.8
98.21119	1.7
99.07985	1.2
105.06873	15.3
105.07653	1.6
107.04825	0.8
107.08440	12.6
107.09222	1.2
109.06364	7.8
109.07169	0.7
109.10004	3.7
111.07949	0.8
117.06863	2.2
119.08418	13.0
121.06345	18.8
121.07311	1.3
121.09993	6.4
123.07904	2.3
123.11549	1.7
129.06900	0.7
130.07690	0.7
131.08542	5.7
133.10132	8.1
135.08058	11.9
135.11533	5.7
137.09491	0.7
143.08429	1.1
145.10127	6.4
146.22989	0.5
147.07933	1.1
147.11693	4.5
149.02184	1.3
149.09605	2.8
149.13277	3.0
151.11089	1.0
155.08441	0.9
157.09976	1.0
159.11742	3.6
161.09457	2.1
161.13266	7.6
163.11174	10.5
163.14735	1.2
165.12761	7.3
171.11528	1.0
173.13147	1.1
175.11011	1.9
175.14847	2.8
177.12755	13.7
177.16263	0.7
179.14203	0.9
187.14719	1.5
189.16351	2.4
191.14305	2.7
193.09996	0.6
196.49348	0.5
201.16325	0.6
203.14139	1.0
203.17831	0.7
205.15710	1.0
215.17886	1.2
219.17354	0.9
233.19113	1.0
261.18472	0.9
261.25839	0.6
271.24161	1.8
275.19998	1.7
289.25250	14.6
299.23657	2.3
317.24756	100.0
318.25058	3.2
321.08990	0.5
388.75726	0.6
391.28531	17.7
392.28714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
53.53478	1.1
55.05489	2.8
57.07058	2.4
58.63230	1.1
59.71994	0.8
67.05478	3.4
69.07040	2.7
71.58427	1.9
79.05466	4.2
79.84682	1.0
80.99513	1.0
81.07054	9.1
81.65800	1.0
83.08610	1.6
85.06487	0.9
87.05905	0.9
91.05501	8.5
93.07065	9.3
94.23140	0.9
95.04965	11.1
95.08622	5.1
97.06510	1.5
105.07036	16.0
107.08611	6.5
109.06476	3.2
109.10120	2.6
117.06984	3.9
119.07918	0.9
119.08577	10.3
121.06466	3.4
121.10173	4.8
123.08072	1.6
128.06207	2.7
129.06956	4.2
130.07736	1.2
131.08548	5.1
133.10150	6.5
135.08035	2.2
141.06929	1.9
142.07756	6.4
143.08569	7.5
144.09271	1.6
145.10124	9.5
147.07985	2.1
147.11658	2.4
149.02341	10.1
149.09538	1.0
155.08484	4.0
156.09283	2.0
157.10143	10.1
159.07976	1.7
159.11658	3.6
161.09584	2.2
165.06927	3.0
167.08617	1.6
168.09305	2.7
169.10136	5.8
170.10886	1.4
171.11632	3.8
173.09537	2.9
173.13203	4.1
179.08525	3.5
181.10039	3.7
183.11610	4.7
184.12459	1.2
185.09590	1.4
185.13171	3.0
187.14841	1.1
192.09341	1.3
193.09999	3.5
194.10880	2.2
195.11768	5.5
197.09604	1.7
197.13199	4.5
199.11162	1.5
206.10774	2.2
207.11575	3.9
209.13251	5.5
210.13901	1.2
211.11142	1.7
211.14677	2.7
213.12761	1.7
217.10083	1.3
219.11703	1.9
220.12378	1.6
221.13159	3.9
223.14804	2.3
225.12648	1.5
231.11542	1.7
232.12549	1.1
233.13127	1.9
234.14058	1.4
235.14656	3.0
244.12340	1.4
245.13107	1.4
246.13754	1.6
247.14848	2.0
249.16295	2.0
251.17802	1.8
258.13776	1.1
259.14740	1.2
261.16321	1.8
263.17932	2.2
265.16058	1.1
269.18948	1.2
275.17532	1.8
282.19595	1.9
293.18713	2.1
305.97626	1.1
307.20175	2.0
317.24664	2.4
355.24164	1.3
363.25116	2.3
373.25241	5.6
388.36212	1.3
391.24512	100.0
392.24780	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	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01865	2.3
55.05509	12.2
57.02080	1.9
57.07069	6.6
58.80420	2.0
65.03930	3.5
67.05510	16.9
68.63857	1.8
69.03416	4.0
69.07068	10.7
69.78967	11.6
70.99024	1.9
71.08623	3.0
77.31396	1.7
79.05492	29.6
81.07057	39.0
82.54667	1.9
83.04944	3.6
83.08602	5.7
85.06551	3.1
91.05483	31.0
93.07045	37.4
95.04977	43.2
95.08595	19.8
97.06533	4.0
98.21451	2.9
103.05444	4.8
105.07034	66.2
107.08608	26.0
109.06510	11.3
109.10142	10.4
111.08086	2.6
115.05457	3.9
117.07021	15.4
118.61247	2.7
119.07789	3.3
119.08585	53.2
121.06503	12.8
121.10168	25.1
123.08054	4.3
123.11652	2.5
128.06209	8.5
129.07022	16.9
130.07791	7.4
131.08553	23.5
133.06451	2.3
133.10110	17.3
135.08026	6.8
135.11700	4.9
137.09636	2.6
141.07013	7.0
142.07791	13.7
143.07486	2.4
143.08565	34.6
144.09332	6.1
145.06522	3.4
145.10132	50.5
147.08034	6.8
147.11658	9.8
149.02348	20.4
149.09578	3.0
149.13228	2.4
153.07016	2.8
154.07785	4.1
155.08563	15.2
156.09315	15.0
157.10130	37.7
158.07188	2.1
159.08023	6.8
159.11737	15.4
161.09636	9.9
163.11186	2.7
165.06987	7.5
166.07841	4.4
167.08580	11.1
167.10684	2.4
168.09303	8.3
169.10144	24.3
170.10889	7.8
171.08128	2.7
171.11671	19.4
172.79958	2.1
173.09610	6.9
173.13286	10.5
173.14500	2.0
175.14746	2.2
177.17863	1.9
178.07849	2.3
179.08542	9.5
180.09312	7.0
181.10101	15.0
182.10893	7.9
183.11671	18.8
184.12444	4.0
185.09593	5.8
185.13245	10.7
187.11163	5.2
187.14767	4.2
191.14287	6.0
192.09325	5.1
193.10146	15.5
194.10892	8.8
195.11696	21.7
196.12453	4.7
197.09561	5.5
197.13200	15.8
199.11171	6.6
199.14786	6.1
201.12685	3.2
203.08542	2.3
205.10146	3.2
206.10905	4.4
207.11732	17.5
208.12469	6.6
209.09608	2.8
209.13266	19.2
210.13979	3.2
211.11139	4.4
211.14813	8.4
213.12735	5.8
215.14342	4.5
217.15904	4.1
218.10951	4.9
219.11664	8.3
220.12476	5.1
221.13293	14.0
223.11234	3.3
223.14803	12.8
225.12883	3.0
225.16351	2.8
227.14236	6.9
229.15791	3.3
230.10954	2.4
231.11681	6.4
232.12399	4.7
233.13231	7.9
233.15295	4.0
234.14087	5.8
235.14828	11.5
237.12698	2.6
237.16423	4.5
241.15833	2.8
242.10837	2.1
244.12466	2.3
245.13249	4.4
246.14139	4.6
247.14760	7.5
249.16365	15.7
251.14215	4.1
251.17938	5.1
253.15894	2.9
253.19423	3.7
259.14755	3.7
260.15488	4.2
261.16306	5.8
263.17902	7.7
264.18735	3.7
265.15805	2.9
267.17386	6.6
274.17114	2.4
275.17853	3.8
277.19452	4.5
279.17453	5.6
281.18875	5.2
282.19797	8.2
287.14355	2.2
289.19333	3.8
291.17365	4.3
293.19003	7.0
295.20398	5.6
297.18649	4.7
299.18008	3.2
303.17267	2.5
305.18512	2.9
307.20477	3.0
317.19220	4.4
335.19907	6.1
347.23959	2.8
373.25281	16.2
391.26337	100.0
391.35791	3.9
392.26236	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	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.7
57.07061	2.4
67.05492	2.1
69.07059	2.8
69.87019	5.3
70.06570	1.2
71.08618	3.8
79.05441	1.2
81.07046	4.8
86.99339	1.1
89.06026	1.2
93.07052	5.4
95.04945	2.4
95.08613	2.7
98.20818	1.9
98.21367	1.9
99.08115	1.2
105.07034	4.2
107.08591	1.9
109.06514	2.3
117.07023	1.1
119.08553	3.6
121.06506	3.4
121.10139	2.3
123.11683	1.5
131.08504	1.7
133.10118	2.3
145.10101	1.7
149.02361	24.5
165.12735	4.2
167.03351	2.7
180.09354	1.5
317.24738	3.1
373.27393	1.4
391.24509	100.0
391.35709	7.0
392.24527	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16573	0.8
56.44403	0.8
57.07064	2.4
65.47639	0.8
66.92594	0.8
69.07050	1.1
70.06592	1.1
71.08620	2.4
71.57590	1.4
71.91618	0.8
73.60331	0.8
79.05483	1.0
81.07036	1.4
90.62968	0.9
93.07024	1.7
95.04986	1.6
95.08591	1.3
105.07024	2.2
107.08559	1.4
119.08604	1.1
121.10195	1.5
133.10094	0.8
143.08525	1.3
145.10129	1.4
149.02356	16.1
157.10135	1.2
167.03430	1.9
168.09459	0.9
173.13202	0.9
215.07047	0.9
246.84613	0.8
329.32550	2.2
391.24551	100.0
392.24948	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
55.16769	0.7
55.44665	0.7
56.78513	0.7
57.07074	4.9
58.06598	0.9
61.28719	0.7
65.03927	1.1
67.05499	2.4
67.40447	0.8
69.07064	1.2
70.06598	10.7
71.06920	1.8
71.08621	3.7
71.53615	0.7
71.57839	0.9
72.08176	1.0
79.05470	1.3
81.07047	2.7
83.08588	1.1
86.09702	1.4
88.07632	4.7
89.06006	0.7
89.07966	1.0
91.05482	1.2
93.03423	1.2
93.07018	2.3
95.04942	2.1
95.08617	2.0
102.09190	3.4
105.07020	2.1
107.08579	1.3
109.06507	1.8
109.10169	0.9
115.41250	0.7
116.42503	0.8
116.58131	0.8
119.08585	2.1
121.02840	1.6
121.06487	1.4
121.10139	1.1
128.06116	0.8
131.01242	1.5
131.08549	1.4
132.10220	2.1
133.10509	0.9
143.08592	1.3
145.10106	2.0
146.11722	2.1
149.02345	30.2
165.12743	2.7
167.03406	41.5
169.10133	1.1
189.05434	1.2
195.11751	1.0
197.01454	0.7
215.06874	0.8
241.26938	1.0
269.08102	19.5
271.13260	1.3
284.29382	3.4
285.29855	9.6
317.24725	1.5
321.16666	1.8
328.31958	1.7
329.32431	11.3
347.25793	1.0
373.35239	1.2
390.35724	4.8
391.24542	100.0
391.36057	50.3
392.24725	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	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
55.16769	0.7
55.44665	0.7
56.78513	0.7
57.07074	4.9
58.06598	0.9
61.28719	0.7
65.03927	1.1
67.05499	2.4
67.40447	0.8
69.07064	1.2
70.06598	10.7
71.06920	1.8
71.08621	3.7
71.53615	0.7
71.57839	0.9
72.08176	1.0
79.05470	1.3
81.07047	2.7
83.08588	1.1
86.09702	1.4
88.07632	4.7
89.06006	0.7
89.07966	1.0
91.05482	1.2
93.03423	1.2
93.07018	2.3
95.04942	2.1
95.08617	2.0
102.09190	3.4
105.07020	2.1
107.08579	1.3
109.06507	1.8
109.10169	0.9
115.41250	0.7
116.42503	0.8
116.58131	0.8
119.08585	2.1
121.02840	1.6
121.06487	1.4
121.10139	1.1
128.06116	0.8
131.01242	1.5
131.08549	1.4
132.10220	2.1
133.10509	0.9
143.08592	1.3
145.10106	2.0
146.11722	2.1
149.02345	30.2
165.12743	2.7
167.03406	41.5
169.10133	1.1
189.05434	1.2
195.11751	1.0
197.01454	0.7
215.06874	0.8
241.26938	1.0
269.08102	19.5
271.13260	1.3
284.29382	3.4
285.29855	9.6
317.24725	1.5
321.16666	1.8
328.31958	1.7
329.32431	11.3
347.25793	1.0
373.35239	1.2
390.35724	4.8
391.24542	100.0
391.36057	50.3
392.24725	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	391.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65837	0.9
53.03952	1.4
55.01869	8.2
55.05260	1.5
55.05513	24.7
55.92297	1.0
57.03433	7.3
57.07072	10.9
67.05170	1.2
67.05508	19.5
69.06721	1.8
69.07076	29.8
69.81762	1.6
69.82170	3.4
71.08630	7.3
79.05495	12.3
81.07062	24.2
83.04962	1.0
83.08624	24.6
85.06586	1.3
85.10186	1.6
87.04451	1.0
91.05489	2.7
93.07050	12.7
95.05010	1.5
95.08605	15.0
97.06548	7.3
97.10169	18.4
98.20985	2.7
98.98470	91.8
99.08076	1.7
105.07025	2.6
107.08609	9.4
109.06553	1.0
109.10137	7.4
111.08060	4.4
111.11719	5.1
116.99497	2.4
121.10145	16.7
123.11698	4.7
125.09655	1.3
131.08580	1.5
135.11694	13.0
137.13261	4.6
140.01059	1.6
143.08495	1.2
149.01265	1.7
149.02330	13.2
149.13268	4.3
155.01045	100.0
156.01357	1.0
157.10127	1.5
159.11771	1.3
163.14813	2.8
217.38043	0.9
219.21112	8.7
237.22139	20.8
335.18857	1.3
375.15720	1.0
391.15021	2.0
391.19260	2.4
391.26340	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.3
56.05038	2.6
58.06580	1.1
60.04496	1.1
63.19971	0.9
70.06597	9.7
71.57875	1.0
72.08158	65.0
74.06075	4.3
77.80503	1.0
78.42899	1.0
84.04499	4.2
84.08147	17.4
86.09708	100.0
87.10044	1.2
88.04008	1.7
101.07137	1.4
102.05540	1.7
110.07166	1.7
116.07105	2.2
119.04906	1.1
129.10231	12.5
143.11798	34.2
144.40404	1.2
171.11298	28.3
171.12730	2.2
173.12871	3.2
185.12730	1.3
201.10674	1.1
201.12343	5.7
213.15948	1.5
219.13391	36.3
226.11958	1.7
240.98036	1.0
284.19730	3.6
288.18500	1.3
297.11578	1.1
298.41428	1.3
357.11209	1.8
371.22952	2.0
389.18237	1.3
389.24283	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	388.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53893	0.5
55.16869	0.6
56.05030	2.9
56.96574	2.8
58.61637	0.5
58.98960	0.6
60.78922	0.5
61.23288	0.5
69.07057	1.6
70.05403	0.5
70.06598	3.8
70.15681	0.5
71.57111	0.7
72.08152	4.6
82.06596	0.9
83.06107	6.4
84.04507	10.9
84.08147	67.5
85.02896	1.1
85.08512	0.8
86.09708	21.0
89.03899	1.8
91.05511	0.5
94.50825	0.6
96.08177	0.7
98.06078	0.6
98.97585	1.5
101.07150	2.4
101.10806	2.1
101.95064	1.0
102.05537	1.3
110.06046	1.1
110.07157	0.9
111.09206	1.7
115.08674	0.9
116.98619	1.0
125.07101	0.5
127.08729	0.9
128.08229	0.9
129.06601	2.7
129.10245	100.0
130.05011	6.1
130.08646	1.1
130.10622	1.2
135.04431	1.3
136.06215	1.0
139.08653	0.9
141.06647	0.6
141.10213	0.5
143.08235	1.2
144.08492	0.7
145.02878	1.6
146.99683	1.0
147.04424	1.1
147.07645	6.7
147.11310	1.2
152.05280	0.8
155.11841	2.6
163.03902	7.4
164.04250	1.0
183.11316	1.7
189.12372	3.5
190.95279	0.9
195.15030	0.8
196.14325	2.8
197.12883	2.4
197.16542	1.8
200.00510	0.7
200.13940	24.4
204.09857	1.6
214.15622	1.0
218.01656	0.7
221.03059	0.6
224.14079	1.4
224.17668	1.5
225.12367	0.7
239.15054	2.0
240.13498	1.8
242.14981	1.0
242.18568	0.7
243.13287	0.5
244.99098	1.2
245.01753	0.6
263.00003	2.5
270.18155	3.3
295.21265	3.6
296.19702	1.2
313.22327	5.3
317.21887	1.5
370.16928	1.2
370.20877	1.9
370.24670	1.4
371.22946	2.9
388.25665	12.4
389.05029	2.0
389.24420	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61139	1.6
53.03942	4.0
55.01870	2.4
57.03432	6.4
58.43390	1.6
60.27528	1.5
69.03069	3.3
69.03431	48.4
70.06585	4.0
70.84016	2.3
70.84343	2.8
71.05006	9.7
79.05516	2.5
81.03422	34.4
83.01339	4.1
84.08136	3.6
85.02905	56.1
86.09683	4.2
87.00832	28.7
87.01358	3.2
87.04460	7.1
97.02901	80.9
98.21017	3.2
99.04455	28.1
105.01864	22.3
105.07040	18.8
109.02887	11.3
120.06403	1.9
127.03924	100.0
129.05141	1.6
129.10316	1.7
129.28540	1.7
131.04991	1.7
139.53424	1.6
145.04968	65.1
146.05244	1.7
148.85191	1.9
171.03018	2.4
180.08127	3.6
198.09091	2.8
208.07538	2.3
213.04037	2.9
226.08575	2.5
231.04996	55.7
236.07083	3.2
243.05357	8.0
244.09709	3.1
249.06068	25.6
254.08134	24.3
272.09067	2.4
325.12500	2.0
360.10953	2.9
388.09982	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	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
55.01853	5.8
57.03429	7.4
59.96314	2.3
61.02922	4.8
62.37218	2.2
69.03427	33.0
69.53957	16.6
71.04985	4.2
73.02912	7.8
81.03422	19.8
85.02905	100.0
85.90949	2.0
87.00829	41.0
97.02888	26.2
98.21375	6.8
99.04438	10.9
105.01870	59.1
105.07018	11.9
109.02888	27.3
117.01865	5.5
126.05495	3.3
127.03920	72.4
129.01833	4.9
145.04947	33.2
145.23280	2.1
147.02878	2.5
159.02896	14.1
164.14951	2.4
185.15671	2.4
189.03957	3.4
213.03891	3.6
231.05025	21.5
249.06079	6.8
263.74045	2.2
351.13989	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00328	4.5
55.05506	18.8
57.03445	6.1
57.07064	14.9
59.04997	8.4
67.05495	18.9
69.03403	9.5
69.07066	16.1
69.88841	26.0
79.05499	29.9
81.07057	32.9
83.04971	11.7
84.08125	4.5
91.05495	42.6
93.07047	51.9
95.04974	17.5
95.08609	33.7
97.06530	18.4
105.07032	91.0
107.08599	40.7
109.06506	17.2
109.10165	7.2
117.06992	21.4
119.08585	76.9
121.06498	6.6
121.10138	17.7
123.08057	46.0
125.09694	5.9
128.06210	9.6
129.06995	10.9
130.07780	5.6
131.08559	44.4
133.06496	8.7
133.10130	53.4
135.08121	11.1
135.11691	20.5
136.40259	4.4
137.09621	8.2
139.07520	44.1
142.07756	5.4
143.08516	22.5
145.10118	51.4
147.08084	23.5
147.11693	18.8
149.09641	27.8
151.07556	63.6
155.08513	6.5
156.09338	19.8
157.10146	13.0
159.08028	9.1
159.11687	10.6
160.08847	5.0
161.09634	22.9
161.13254	25.1
163.11208	6.7
165.09120	30.8
169.08438	8.6
171.11702	17.4
173.09637	7.0
173.13277	7.3
177.09135	6.2
179.10672	15.8
182.45578	5.6
187.11188	6.7
189.12755	42.7
203.14307	16.9
207.13846	30.4
221.15388	81.3
233.15388	7.8
250.34366	4.6
274.19141	6.1
287.20029	6.6
299.20111	7.8
307.19000	24.4
313.17542	4.6
369.24142	19.6
380.07422	4.7
387.16870	5.2
387.25323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.253
Annotation	Atranone D
Peak:m/z	Relative Intensity
51.02381	1.8
53.03941	5.4
55.01871	6.0
55.05514	17.6
56.85849	1.1
57.03423	2.2
57.07054	1.6
59.04968	1.1
65.03931	2.6
67.05172	1.9
67.05506	29.5
69.03438	8.7
69.06702	1.4
69.07066	13.4
71.01347	1.3
71.04984	3.7
71.58810	1.4
73.06567	1.2
79.05063	1.7
79.05499	25.3
81.03419	19.5
81.07059	30.8
83.04974	6.2
83.08620	6.7
85.02896	4.4
85.06547	1.3
91.05480	31.7
93.06466	1.6
93.07049	28.1
95.01314	2.6
95.04971	9.8
95.08608	22.8
96.46490	1.1
97.02885	5.4
97.06509	3.2
97.10168	4.0
97.78756	1.0
99.04450	2.2
99.08098	2.2
103.05470	3.1
105.07031	28.3
107.04971	7.6
107.08597	15.4
109.02876	2.4
109.06506	4.2
109.10162	8.2
111.04478	6.5
111.08054	1.6
115.05441	4.3
117.07013	21.4
119.04885	1.6
119.08585	23.2
121.06512	5.5
121.10149	9.5
123.04456	8.6
123.08066	2.4
123.11712	2.8
125.09592	1.5
128.06223	7.9
129.07014	22.5
130.06526	1.6
130.07758	3.6
131.04929	2.6
131.08574	28.8
133.06525	8.3
133.09232	1.4
133.10143	17.4
135.08047	4.1
135.11697	5.6
137.05980	2.7
137.09602	1.7
141.07042	7.1
142.07787	5.7
143.08549	19.0
144.05702	1.2
144.09264	1.2
145.06485	6.8
145.09024	1.6
145.10118	19.9
147.04376	1.7
147.08061	8.7
147.11696	8.3
149.05965	3.8
149.09610	3.5
149.13234	1.8
151.07587	1.2
153.06964	1.9
154.07768	1.9
155.08569	11.0
156.09323	1.7
157.06508	5.5
157.08919	1.6
157.10139	18.0
159.08006	8.0
159.11696	13.2
161.06000	3.4
161.09616	5.4
161.13229	5.0
163.11153	3.1
165.06973	2.1
165.09114	1.5
166.07809	1.2
167.08617	4.8
168.09245	1.1
169.06496	1.5
169.10143	9.5
170.07257	1.2
171.08093	7.7
171.11725	11.8
172.08850	1.3
173.09650	6.9
173.13271	9.3
175.07582	5.7
175.11206	4.3
175.14874	1.2
177.09045	1.8
177.12758	1.6
179.08592	1.7
181.10112	5.7
182.10904	1.0
183.08032	4.4
183.11710	9.4
184.08890	1.2
185.09615	7.6
185.13254	9.4
187.07555	2.0
187.11159	6.8
187.14813	4.3
189.09099	2.2
189.12761	2.8
191.10768	1.2
193.10120	2.1
194.10788	1.1
195.11699	4.7
197.09624	3.8
197.13249	6.3
198.10429	1.2
199.11205	6.1
199.14825	7.0
201.09033	1.4
201.12712	2.9
201.16261	1.4
203.10695	3.0
203.14371	2.1
207.11729	1.7
209.13205	4.9
211.11176	3.5
211.14757	2.5
213.12790	5.7
213.16388	2.9
215.10715	1.2
215.14317	3.3
217.12204	2.0
217.15742	1.6
219.13843	1.1
221.13303	2.0
223.14822	2.3
225.12740	3.8
225.16351	1.7
227.14369	4.8
229.12251	2.4
231.13803	2.2
235.14796	1.7
237.16373	1.7
239.14340	2.8
239.17953	1.2
241.15912	1.6
243.13858	2.2
253.15862	1.4
257.15210	1.4
259.12308	1.1
259.20618	1.5
271.20605	1.3
277.21844	4.7
279.20679	1.1
279.76465	1.0
283.20612	3.1
285.18619	2.0
285.22086	1.6
287.16553	1.6
287.19986	1.2
289.21600	3.0
295.20584	1.0
297.18793	1.3
297.22244	3.0
299.20187	2.3
299.23648	2.9
301.21671	3.0
303.23108	2.8
309.22153	1.3
313.18311	1.1
313.21722	2.5
313.25027	1.0
315.23242	2.2
317.24698	1.3
323.23694	3.7
325.21576	1.4
327.23279	7.4
333.22168	2.6
341.21069	1.7
341.24771	12.8
343.22772	2.2
345.24335	2.1
351.23203	16.0
357.24170	1.6
359.25821	2.4
369.24255	69.6
370.24591	2.0
387.25311	100.0
388.25598	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	387.2014
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	2.5
55.01873	3.3
55.95939	2.3
57.03441	13.9
59.97372	1.4
61.02929	5.3
67.05514	2.2
69.03426	11.2
69.57096	6.7
69.57501	3.4
70.06595	13.1
71.05002	3.2
72.08155	4.6
81.03410	3.2
83.04946	1.7
84.04507	2.5
84.08129	2.0
85.02905	35.7
86.09708	3.7
87.04488	2.9
91.03949	2.8
91.05477	4.5
93.07043	3.9
95.04961	3.8
95.08609	2.0
97.02910	12.5
98.21198	6.3
105.07040	6.8
107.08588	6.9
109.02870	1.9
112.08736	2.4
116.07081	2.6
119.08565	5.0
121.06487	4.1
121.10152	6.1
123.08054	6.3
123.11720	3.1
127.03934	6.9
129.10222	2.1
130.05040	2.8
131.08513	2.8
133.10129	16.1
135.08073	5.6
135.11702	8.1
145.04985	6.1
145.10121	6.0
147.04382	2.5
147.11682	7.2
149.09622	3.0
151.11208	2.7
157.86916	1.8
161.13246	4.3
163.11191	25.6
165.12756	5.8
169.40857	1.7
179.14346	2.2
181.12225	11.9
189.12814	6.3
207.13809	100.0
208.14175	1.9
225.14833	2.8
345.02628	2.3
387.20160	3.5
387.27008	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	387.2014
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
50.38581	1.5
53.03944	3.9
53.36738	1.2
55.01865	3.8
55.05507	3.2
56.05018	2.2
57.03432	4.9
57.07067	1.7
58.06612	1.4
61.02920	6.5
67.05494	2.9
68.05010	1.4
68.97343	1.2
69.03435	14.1
69.07061	3.3
70.06594	19.3
70.33571	4.4
71.05015	2.7
72.08154	8.2
73.02917	2.7
74.06075	2.6
79.05495	5.3
81.03406	7.8
81.07056	12.0
83.04980	4.8
84.04505	13.4
84.08142	15.3
84.20557	1.2
85.02908	42.1
85.06536	3.5
86.09710	40.9
87.04459	3.2
91.03942	2.5
91.05489	7.4
93.07048	8.2
95.04958	6.8
95.08612	2.7
96.19416	1.2
97.02888	14.0
97.06512	2.8
98.21332	1.8
99.04444	3.8
103.05399	1.5
105.07024	10.1
107.04951	1.8
107.08598	11.2
109.02883	5.5
109.06525	3.8
110.07197	1.6
111.05556	1.5
114.05466	1.5
116.01651	2.2
116.07083	3.0
117.07012	2.0
119.08557	7.4
120.22435	1.2
121.06518	5.0
121.10133	12.4
123.08074	11.4
125.06001	3.2
127.03931	10.8
127.04743	1.8
129.10222	8.6
130.05008	5.0
130.07753	1.9
131.08543	3.8
133.06464	2.7
133.10124	5.2
135.08052	1.7
135.11679	7.5
137.09666	1.3
139.07539	4.3
141.06610	2.2
142.04987	1.7
143.08575	2.3
145.02962	1.7
145.04964	8.7
145.10123	14.9
147.07893	3.0
147.11687	4.5
149.09660	3.7
151.07562	30.4
151.08772	1.8
161.09378	2.6
161.13260	3.6
163.11188	100.0
181.12242	29.5
183.14972	3.7
189.12756	14.5
199.18082	6.0
207.13814	40.0
210.11252	5.3
223.07649	2.0
223.13269	1.8
225.14864	5.3
227.17503	4.8
249.10263	2.0
250.08617	3.0
341.11420	5.1
369.19724	4.9
387.20111	8.7
387.27182	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	387.2012
Annotation	Macarangioside D
Peak:m/z	Relative Intensity
60.05262	20.9
67.05476	31.8
71.09732	30.7
71.10062	32.0
95.08614	100.0
123.08039	44.7
149.09648	35.8
156.98979	20.5
207.13834	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
53.03952	0.8
55.01867	0.2
65.03926	0.2
69.03407	0.4
70.22211	0.2
70.26020	0.4
70.26401	0.2
77.03927	0.2
79.05496	4.8
81.03418	0.6
86.90592	0.1
91.05476	0.3
93.07045	0.5
95.04977	1.2
97.02897	0.2
97.38784	0.1
98.21030	0.3
103.05481	2.3
105.07035	100.0
106.07376	1.0
116.99081	0.2
119.04955	1.7
119.05843	0.2
119.06026	0.1
121.06494	0.5
127.03861	0.2
328.06500	0.2
387.17545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01873	6.9
55.05515	11.8
57.07071	6.3
60.02121	2.1
67.05508	27.3
69.03416	7.9
69.07085	11.4
69.80086	13.1
71.04993	3.6
71.08631	16.0
79.05503	19.6
81.07068	23.6
83.04976	7.2
83.08604	3.4
85.06548	6.0
89.02323	2.2
91.05473	16.9
93.07051	31.9
95.04968	13.8
95.08614	21.1
96.05745	5.0
97.02904	14.3
97.06528	9.8
97.10166	2.7
97.19307	2.1
98.21065	6.8
99.08099	7.9
105.07008	16.4
107.08613	11.1
109.06519	19.1
109.10165	8.3
111.04448	16.4
111.08081	4.4
113.05986	3.2
117.07001	4.7
119.08601	11.5
121.06506	14.5
121.10181	15.3
123.04410	13.0
123.08074	7.9
123.11680	4.7
124.05181	2.6
125.06026	4.8
128.06172	2.1
129.07040	4.4
131.08582	13.7
133.10146	5.9
135.08064	10.0
135.11687	2.8
137.05968	3.2
137.09631	6.5
139.11183	3.1
143.08582	6.2
145.10126	5.7
147.08029	4.2
147.11676	4.6
149.02394	7.1
149.09627	14.8
151.07512	3.6
151.11200	4.1
157.10143	3.6
159.11658	3.6
161.09666	3.2
161.13293	4.1
163.11198	5.3
165.12756	19.3
167.10756	4.3
175.14877	3.0
177.12802	3.1
181.12238	100.0
182.12697	3.1
189.12729	3.1
191.14293	5.3
193.04993	7.5
207.13763	4.2
215.14372	2.7
251.16376	2.6
253.43689	1.9
263.16504	3.4
289.21738	15.1
305.21115	22.0
322.71298	2.1
349.23361	2.1
351.25317	69.7
352.25647	3.4
376.83575	2.3
385.09329	4.8
385.23718	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	385.2373
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
55.05494	13.2
56.82519	3.6
57.07063	12.0
59.04998	8.0
65.47830	3.2
67.05496	16.7
67.44841	3.3
69.03415	8.3
69.07061	6.3
70.25988	12.2
71.04993	7.7
79.05477	19.3
81.07066	17.2
81.07454	3.1
83.04990	6.4
83.08592	8.1
85.02949	4.3
85.06551	8.3
91.05481	30.0
93.07050	26.9
95.04950	11.9
95.08618	31.2
97.06514	14.4
99.04447	4.0
105.07030	45.8
107.08591	53.0
109.06499	12.9
109.10152	10.2
111.04439	8.0
111.08063	19.9
115.05449	3.7
117.06981	16.3
119.08584	46.4
121.06463	14.1
121.10139	23.3
123.08064	36.8
123.11720	4.5
125.09615	4.8
129.06979	11.5
130.07758	5.7
131.08568	41.2
133.06483	7.9
133.10135	18.2
135.08051	19.3
135.11699	29.6
137.05986	27.1
141.06970	4.9
142.07761	6.2
143.08574	20.1
144.09305	8.4
145.10118	42.7
147.08040	17.0
147.11661	8.7
149.02330	7.1
149.09602	13.5
151.07545	84.9
151.11214	5.1
153.09082	5.3
154.07675	4.0
155.08578	4.9
156.09352	5.7
157.10100	14.3
159.08078	21.6
159.11681	45.9
161.09621	15.9
162.10298	3.6
163.11194	35.0
165.09108	12.7
169.10120	6.9
171.11668	15.5
172.08817	4.0
173.09494	3.4
173.13168	4.2
175.11183	6.0
177.09129	18.0
177.12737	27.0
179.14218	4.5
181.10066	5.2
181.12132	4.8
183.11684	6.9
185.13281	5.7
187.11208	30.0
189.12772	19.0
195.11668	7.1
199.11133	8.3
203.14302	6.7
205.12230	51.2
207.11748	5.2
207.13618	5.9
213.12817	5.5
215.14293	4.7
217.12228	8.4
221.15393	13.1
225.16405	4.3
233.15379	8.4
246.16043	5.6
247.17101	4.9
285.18439	3.8
286.19235	17.0
299.20105	4.9
311.16470	4.3
367.22498	12.7
385.08942	7.4
385.23715	100.0
385.28418	6.4
386.24005	3.9
398.98111	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	385.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74315	2.4
55.01878	3.1
55.05496	8.1
56.05028	5.0
57.03439	2.7
57.07077	4.8
59.04995	3.4
67.05498	11.1
69.03413	3.8
69.07045	4.7
70.02785	6.0
70.03187	4.1
71.04989	4.3
72.08200	2.9
76.00297	2.2
79.05486	7.8
81.07053	9.2
83.08643	4.1
84.08143	100.0
85.06544	5.1
91.05490	18.1
93.07042	12.5
95.04974	9.9
95.08601	16.3
97.06528	8.2
98.20915	4.6
99.04482	2.7
100.81314	2.4
105.07018	24.2
107.08622	19.2
109.06494	5.8
109.10168	4.0
111.04418	4.3
111.08090	8.5
112.70178	3.1
117.07013	7.0
119.08566	29.5
121.06509	3.8
121.10175	8.3
123.08099	19.7
128.06198	2.5
129.07037	5.2
130.07797	3.3
130.08653	7.4
131.08562	23.8
133.06436	5.6
133.10135	8.7
135.08054	10.3
135.11691	15.3
137.06007	14.6
137.09596	3.5
137.13182	2.6
139.07585	3.3
142.07722	4.1
143.08582	8.4
144.09300	5.2
145.06418	4.6
145.10110	24.0
147.08058	8.9
147.11464	4.8
149.02332	5.1
149.09636	10.6
151.07535	46.3
153.09073	5.4
155.08508	3.2
157.10124	6.1
159.08057	10.9
159.11710	25.8
161.09651	6.3
161.13229	3.5
163.11153	21.6
165.09132	9.0
171.11736	7.3
173.09636	4.3
173.13324	3.6
175.11079	4.0
177.09102	11.7
177.12723	16.5
183.11694	4.0
187.11214	18.7
189.12747	12.3
193.04892	3.6
197.13211	3.4
199.11214	4.7
203.14386	3.5
205.12222	31.8
207.11597	3.3
207.13806	4.8
217.12279	3.3
221.15384	6.0
229.15923	2.9
246.16325	2.9
286.19284	12.5
322.30981	9.1
367.22662	7.7
385.09232	4.0
385.18893	2.9
385.23737	61.5
385.34201	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	385.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01874	11.6
55.05521	12.0
56.05034	6.7
57.03429	10.7
59.05020	4.5
65.03931	2.3
67.05518	15.2
69.03423	10.1
69.07063	10.2
69.94015	8.7
70.06591	22.8
70.95849	2.3
71.04997	27.1
72.08144	8.5
79.05483	15.4
80.53871	2.1
81.03414	4.8
81.07061	27.6
83.04977	10.1
83.06107	32.7
83.08612	18.8
84.04508	100.0
84.05017	4.9
84.08142	9.3
85.02905	5.8
85.06527	2.5
86.09734	13.0
88.02216	7.4
91.05484	18.5
93.03381	2.6
93.07042	36.8
95.04972	7.1
95.08611	23.3
97.06544	13.7
98.20811	3.8
98.21375	5.2
99.04443	4.3
101.07143	23.2
102.05569	13.7
103.05471	3.6
105.07030	53.2
107.08601	25.6
109.06535	13.2
109.10163	10.1
111.08085	24.7
112.07616	3.1
113.09638	4.1
117.07009	4.0
119.08586	38.5
119.09357	4.0
120.08083	8.7
121.06483	5.3
121.10128	13.5
123.08073	48.0
123.11729	3.0
127.07565	7.8
129.06596	71.1
129.09129	11.3
129.10182	4.9
129.50690	2.4
130.04024	4.5
130.05008	92.9
130.06558	6.7
131.08562	8.1
133.10117	20.6
134.02710	7.5
135.11714	6.0
136.06146	11.7
137.05963	8.0
137.13240	2.7
141.09149	3.2
142.07718	2.9
143.08580	5.9
145.06119	3.2
145.10130	18.2
146.05989	13.6
147.07648	57.3
147.11688	39.6
148.07574	19.2
149.09622	9.9
149.13338	2.7
151.11174	3.7
157.10121	5.8
159.11816	3.7
160.07591	2.5
161.05992	10.5
161.09636	8.9
161.13266	2.7
163.11215	12.0
165.12720	16.0
166.08748	2.6
175.14818	24.3
177.12764	2.9
182.08163	6.6
182.15285	4.3
185.13271	10.7
187.11040	2.6
189.05273	2.4
192.06392	2.7
193.15799	3.5
194.06126	2.3
198.22076	2.4
201.05515	9.7
203.14302	43.5
207.06564	7.1
220.16982	6.8
221.15363	25.3
223.13144	3.3
224.09581	2.8
235.36794	2.5
238.18015	10.9
239.11082	2.6
239.16533	4.9
248.16412	3.6
252.08707	9.6
253.13406	3.3
256.19104	10.4
281.12872	5.7
293.18576	3.9
294.17010	4.2
311.19531	12.9
322.20169	8.7
340.21405	5.1
349.21283	5.6
350.19421	5.8
367.22403	14.4
368.20761	4.9
385.09671	3.1
385.14142	4.1
385.18161	29.1
385.23450	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	384.1151
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
53.35934	0.6
55.01867	1.3
57.03435	2.6
60.04514	1.3
61.02901	0.5
65.63948	0.6
66.93147	0.6
69.03417	2.0
70.06583	1.5
71.01350	0.9
71.56617	1.0
72.08148	0.8
73.02913	1.1
76.93830	0.5
84.08153	1.7
85.02908	1.9
89.64951	0.7
94.04050	0.7
95.36839	0.6
110.07195	3.5
116.03434	0.6
119.03526	0.6
119.04961	0.7
121.05132	1.2
135.06660	0.9
136.06195	20.6
137.04611	1.3
148.06180	6.2
160.06200	1.4
162.07756	37.1
163.03944	1.0
177.84683	0.6
188.05684	14.4
192.05176	17.4
206.06740	7.5
216.05226	0.9
219.93999	0.6
220.38361	0.6
222.09882	4.1
234.06248	10.9
235.76602	0.7
238.05432	1.1
252.07294	100.0
253.07373	1.4
258.73660	0.6
366.10428	0.6
384.11459	21.8
384.15216	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27100	2.1
53.03949	7.1
55.01877	3.2
55.05521	11.5
57.07087	13.9
59.05002	7.1
65.03918	3.6
67.05505	31.2
69.03420	16.3
69.07069	11.2
69.45714	19.4
71.04978	7.2
75.01551	2.3
79.05484	33.8
79.34165	2.3
81.07056	38.3
83.04968	6.5
83.08615	2.9
83.39096	2.6
85.06536	6.3
91.05482	55.8
93.07046	100.0
95.04972	29.1
95.08604	32.6
97.06541	15.0
98.20790	5.5
98.21434	4.3
103.05470	4.6
105.04527	2.8
105.07027	79.3
107.04974	4.8
107.08600	42.6
109.06521	21.3
109.10155	20.2
111.08084	9.8
115.05453	2.5
116.06276	3.2
117.07034	11.2
119.08586	49.3
121.06503	12.6
121.10142	41.7
122.07279	2.2
123.08073	35.8
128.06253	6.7
128.74925	2.3
129.06999	11.9
130.07782	6.4
131.08546	36.1
133.06490	10.0
133.10130	33.0
135.08067	26.2
135.11711	4.7
137.05991	3.5
137.09604	10.0
141.07005	5.1
142.07773	20.2
143.08554	24.9
144.09396	4.0
144.39526	2.3
145.06424	4.9
145.10112	36.7
147.08044	26.6
147.11670	13.5
148.08833	6.7
149.09624	34.5
150.10295	2.9
151.07542	41.0
153.09128	3.1
155.08580	5.4
156.09361	9.5
157.10132	37.5
158.10968	2.6
159.08064	10.3
159.11732	14.6
159.12851	2.2
161.09615	21.3
161.13275	6.3
163.11174	7.7
165.09123	46.5
169.10136	6.0
170.10928	6.5
171.11691	9.2
173.09608	10.3
173.11919	3.4
173.13213	12.1
175.11188	18.2
175.14812	8.9
177.09114	14.4
178.09856	6.3
179.08623	3.2
180.55052	2.5
181.10097	4.5
181.12256	2.6
183.11760	6.4
185.09668	4.3
185.13272	15.8
187.11217	4.9
187.14778	3.6
189.12741	12.6
191.10638	2.9
191.14319	6.7
194.10707	2.4
195.11739	6.5
196.12502	2.4
197.13277	6.7
199.11250	5.1
199.14822	3.3
201.12692	14.5
203.14311	34.8
207.12152	2.5
207.13828	14.5
209.13310	4.9
209.15302	5.3
211.11118	2.9
211.14821	5.1
213.12779	6.4
215.10744	2.7
215.14337	8.6
216.15071	4.9
219.13835	9.2
221.15366	84.3
223.14809	2.9
227.14346	5.2
231.13869	5.8
233.15373	8.0
234.16161	20.6
237.14743	3.5
241.16246	2.7
249.16458	2.3
263.17929	3.2
281.18936	2.9
286.19171	5.7
287.20108	9.8
299.20050	6.5
303.19623	11.3
333.24246	2.7
365.24570	13.2
383.25806	74.1
384.26108	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	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03945	8.3
55.05507	16.4
57.07067	13.8
59.04996	6.7
63.18451	3.9
67.05507	28.3
69.03434	21.5
69.07057	13.0
70.76395	10.5
71.05003	5.8
79.05487	37.3
81.07050	43.4
83.04955	9.5
83.08607	8.6
85.06544	7.7
88.49468	3.7
91.05473	46.6
93.07045	97.2
95.04972	34.5
95.08608	47.3
97.06524	20.7
98.21194	5.0
103.19428	3.8
105.07030	90.1
107.04920	4.1
107.08596	55.0
109.06536	24.8
109.10155	20.0
111.08078	8.3
116.06241	4.4
117.07017	14.3
119.08574	70.0
121.06518	18.3
121.10144	56.1
121.43651	4.0
123.08065	37.3
128.06245	9.0
129.06963	18.9
130.07834	8.4
131.08563	39.0
133.06525	8.9
133.10109	36.0
135.08046	31.8
135.11722	5.7
137.05984	6.8
137.09630	12.1
141.07034	5.1
142.07806	23.0
143.08540	31.9
145.06491	5.8
145.10126	41.4
147.08046	27.5
147.11703	19.4
149.09583	31.4
151.07539	41.2
155.08536	7.4
156.09363	6.4
157.10130	51.8
158.10796	3.6
159.08058	7.4
159.11716	19.2
160.08913	6.0
161.09630	26.8
161.13234	10.7
163.07472	4.3
163.11185	8.5
163.21072	3.7
165.09111	38.3
169.10188	9.0
170.10840	6.5
171.11685	12.8
173.09593	11.1
173.13310	11.4
175.11165	22.4
175.14835	9.6
177.09070	15.3
183.11765	7.3
185.09662	6.0
185.13271	20.9
187.11200	6.8
187.14886	6.1
187.28410	4.4
189.12752	12.7
191.14369	4.0
195.11729	7.9
197.13292	9.9
199.11214	6.6
199.14935	5.3
201.12758	11.4
203.14316	30.7
207.13789	17.1
209.13312	6.5
209.15381	4.7
213.12772	6.6
215.14349	14.9
216.15047	5.5
219.13696	6.7
221.13351	4.3
221.15341	74.3
227.14320	7.0
231.13873	4.0
233.15425	9.9
234.16170	11.8
249.16406	4.4
249.31715	4.0
263.18192	4.2
281.19165	8.5
286.19345	4.7
287.20078	11.4
299.20041	5.3
303.19583	7.2
365.24808	14.7
383.25784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01853	3.4
55.05517	17.6
57.07062	12.0
59.04992	5.0
67.05231	2.6
67.05515	34.9
69.03435	15.6
69.07058	12.4
70.14612	12.0
71.04988	9.2
73.58012	2.4
79.05492	36.5
81.07057	40.4
83.04986	7.7
83.08610	7.1
84.85262	2.4
85.06516	3.5
91.05479	45.3
93.06470	5.1
93.07050	100.0
95.04976	30.9
95.08613	41.9
97.06528	19.9
98.21070	6.0
103.05482	5.0
105.07037	91.7
107.08605	46.2
109.06509	26.6
109.10145	24.5
111.08064	8.6
113.09612	3.0
115.05413	3.9
117.07006	11.8
119.08577	61.8
120.09412	3.8
121.06515	18.4
121.10146	51.8
123.08079	30.4
128.06221	8.1
129.07011	17.3
130.07782	8.0
131.08586	33.1
133.06488	9.8
133.10146	35.9
135.08066	25.2
135.11693	8.9
137.05968	5.2
137.09602	12.0
141.06969	4.3
142.07770	18.9
143.08571	30.0
144.09334	3.4
145.06497	2.8
145.10133	49.4
147.08054	25.7
147.11688	18.3
149.09625	25.6
149.13307	3.0
151.07545	45.5
155.08568	9.9
155.10696	3.3
156.09328	9.9
157.10150	45.6
159.08054	10.4
159.11716	18.1
160.08801	3.9
160.12526	3.1
161.09637	23.0
161.13295	9.4
163.11151	9.8
165.09131	43.3
168.09271	3.5
169.10155	7.2
170.10913	7.0
171.08005	3.8
171.11691	9.1
173.09665	11.3
173.13248	9.5
175.11217	20.7
175.14870	8.6
177.09088	13.5
178.09825	3.2
181.10080	4.7
181.12144	4.2
182.10950	3.7
183.11681	10.1
185.09680	4.1
185.13284	24.3
187.11200	7.1
187.14796	3.7
189.12772	13.8
191.14359	6.0
195.11684	6.5
197.13336	5.9
199.11163	9.4
199.14740	2.7
201.12720	12.3
203.14342	34.5
207.11848	3.5
207.13823	12.7
209.13292	4.8
209.15259	6.7
211.14690	5.2
213.12776	7.4
215.10907	3.0
215.14339	15.1
219.13814	6.0
221.13664	3.0
221.15376	82.8
225.12891	3.6
225.16238	4.8
227.14343	3.3
233.15395	6.3
234.16158	12.3
237.14757	4.2
237.24945	3.0
274.19238	3.1
281.18942	4.4
286.19263	3.4
287.20032	5.4
299.19891	8.6
303.19513	8.7
309.18488	3.8
348.12701	3.1
365.24814	12.1
383.20465	13.7
383.25696	82.3
384.25964	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	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.68895	3.1
53.03939	5.9
55.01882	2.4
55.05510	13.2
57.07089	12.0
59.04988	8.5
61.94333	2.5
65.03953	3.4
67.05503	29.9
67.45381	2.4
69.03432	15.4
69.07057	8.3
69.83857	12.4
69.84260	4.2
71.04980	5.5
72.04893	2.4
79.05496	30.4
79.71293	2.4
81.07061	29.1
83.04984	8.9
85.06538	4.2
91.05483	43.5
93.07048	100.0
95.04969	27.0
95.08613	39.3
97.06552	17.0
103.05487	3.3
105.04524	2.4
105.07036	75.1
107.08591	44.6
109.06543	20.2
109.10155	15.2
111.08107	10.2
115.05402	2.8
117.07027	11.1
119.08582	49.2
121.06497	13.0
121.10143	44.9
123.08057	26.8
128.06221	10.5
129.07016	13.3
130.07761	5.9
131.08566	28.8
133.06474	8.9
133.10136	29.8
135.08064	19.9
135.11664	3.6
137.05885	2.9
137.09608	10.1
141.07014	6.1
142.07820	21.2
143.08554	18.4
144.09357	5.1
145.06468	5.7
145.10123	36.0
147.08052	23.1
147.11678	19.0
148.08881	2.8
149.09619	24.2
151.07547	35.9
151.11293	2.8
153.09070	5.0
155.08575	10.0
156.09366	8.0
157.10146	36.5
159.08063	8.1
159.11716	15.1
160.08838	2.9
161.09627	18.0
161.13222	7.7
163.11192	8.2
165.09108	36.8
169.10127	7.4
170.10860	6.8
171.11713	10.6
173.09608	14.8
173.13290	11.7
175.11208	19.4
175.14833	7.8
177.09128	10.7
178.02176	2.5
178.09933	3.8
179.08527	2.7
183.11754	5.1
184.00024	2.4
185.09656	2.4
185.13200	17.2
187.11156	4.7
189.12723	6.4
191.14371	4.8
197.13306	9.3
199.11147	4.7
199.14905	3.0
201.12767	7.7
203.14323	27.1
207.11879	4.3
207.13806	12.6
209.15298	3.5
211.14912	2.9
213.12672	5.1
215.14322	9.2
219.13795	5.8
221.15373	76.3
227.14256	6.9
229.15993	3.4
231.13797	5.1
233.15424	7.4
234.16203	14.2
241.15976	3.5
241.23480	2.5
243.13850	3.6
254.29594	2.7
266.66956	3.1
286.19308	3.5
287.20081	11.6
299.20029	7.1
303.19650	7.2
309.18591	4.6
337.59824	3.2
359.61041	3.3
365.24814	10.2
383.11569	3.1
383.25790	75.4
384.26178	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.29826	8.3
55.05510	18.1
57.07058	20.6
64.08928	8.8
64.50166	7.8
65.12493	8.3
67.05506	45.9
69.03437	8.2
69.07075	11.6
69.77707	42.6
79.05479	55.3
81.07056	56.1
83.05001	20.2
91.05482	85.5
93.07052	100.0
95.04968	30.8
95.08614	40.4
97.06524	21.7
98.21133	30.4
105.07039	73.0
107.04979	8.2
107.07956	8.4
107.08584	56.8
109.06530	24.5
109.10151	53.5
117.07008	18.0
119.08598	62.0
121.06472	17.9
121.09353	12.3
121.10098	56.5
123.08112	25.3
128.06161	8.1
129.07033	10.9
130.07852	9.5
131.08606	48.6
133.06485	13.5
133.10123	59.8
135.08066	34.0
142.07790	14.5
143.08553	24.5
144.09344	14.5
145.10138	42.2
147.08051	18.4
147.11665	13.7
149.09607	43.5
151.07574	25.5
156.09344	14.5
157.10130	42.0
159.08073	10.8
159.11728	20.6
161.09608	21.7
165.09099	13.1
169.10080	11.0
171.11694	14.5
173.09637	12.2
173.13242	10.6
175.11223	31.1
177.09164	21.2
178.09892	11.7
185.13300	16.8
189.12682	10.0
201.12801	11.1
203.14307	15.5
215.14270	17.9
219.13850	18.4
221.13452	10.6
221.15355	41.7
227.14383	10.2
234.16196	30.0
273.18488	16.4
291.19440	15.0
347.55411	9.4
365.24466	10.2
365.58069	8.4
383.25906	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03939	7.3
55.01850	11.7
55.05499	31.0
57.88861	7.4
59.04972	8.1
67.05217	7.8
67.05508	89.7
69.03422	11.3
69.07061	32.4
71.04991	8.1
71.58189	10.0
79.05496	47.0
81.03425	13.6
81.07062	83.1
83.05000	13.7
83.08611	15.7
91.05482	43.0
93.07048	64.5
95.04980	17.1
95.08596	21.8
105.07052	46.8
107.04970	9.7
107.08595	32.2
107.75701	8.5
109.06512	9.2
109.10154	58.1
111.08096	8.4
113.26756	7.5
117.07005	19.7
119.08553	27.3
121.06478	11.1
121.10178	15.3
123.08089	10.6
123.11646	10.6
125.09608	9.7
129.06984	7.5
131.08572	22.2
133.06487	17.7
133.10094	33.5
135.08061	15.4
135.51974	7.8
137.09622	9.1
143.08563	9.5
143.58731	7.3
144.05765	8.8
145.10146	16.7
147.08055	14.1
149.09628	15.4
151.11194	17.2
157.10176	8.3
159.08073	12.8
159.11716	8.3
160.28647	7.9
161.09613	8.4
166.59155	8.3
168.45877	6.3
173.11771	9.6
175.11230	8.3
189.11176	9.0
200.75862	7.4
223.13165	9.9
273.18600	33.3
291.19623	100.0
365.23288	62.0
383.24167	75.1
393.76398	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.0
55.01867	17.3
55.05511	59.2
56.96566	7.6
57.03435	37.2
67.05505	65.2
69.03426	15.9
69.07063	43.5
70.06586	6.5
70.36369	7.1
70.36723	6.0
71.04977	11.5
77.42825	3.1
79.05050	5.5
79.05492	71.3
81.03418	68.7
81.06576	5.0
81.07056	100.0
83.04968	22.8
83.08622	43.0
84.08147	4.8
85.02914	34.6
85.06533	8.3
86.09710	7.1
89.48431	3.4
91.05481	47.4
93.07049	49.5
95.04968	39.8
95.08613	40.8
97.02867	8.1
97.06544	7.6
97.10170	39.4
99.08080	5.5
100.11255	7.5
103.09741	3.1
105.07037	44.2
107.04955	13.4
107.08595	44.1
109.06528	11.2
109.10155	17.9
111.04443	12.4
111.08083	16.6
116.07130	5.1
117.07011	13.1
119.08558	40.2
121.06467	8.7
121.10136	21.3
123.08073	40.1
123.11754	5.1
125.09626	35.8
129.06982	11.4
130.04958	3.5
131.08575	17.9
133.06535	5.9
133.10143	15.7
133.48761	3.1
135.08046	13.6
135.11662	11.3
137.05969	4.6
137.09615	10.3
143.08528	5.2
145.10162	16.4
146.06010	3.8
146.07343	3.5
147.08017	10.5
147.11679	18.6
149.09598	12.1
152.14337	4.6
153.09146	4.4
153.12793	8.0
157.10138	16.4
159.11674	5.7
161.09584	8.7
163.11203	13.9
165.09076	7.4
169.10098	3.6
171.11728	6.1
173.09622	4.8
175.11177	16.4
181.12175	5.4
187.13219	5.1
188.07079	4.0
189.11240	30.7
189.12752	4.8
191.10786	4.8
193.10596	5.8
193.12251	51.3
195.11612	3.5
210.14897	5.5
211.13312	50.7
223.13333	16.0
227.12737	6.6
245.18944	4.6
249.14804	5.1
255.09033	5.8
255.17366	5.7
269.10571	7.7
273.18506	35.4
282.33429	3.6
285.16934	7.3
291.19534	84.2
347.22192	4.1
365.16135	4.3
365.23264	14.8
365.27585	3.4
383.12671	7.0
383.17450	23.2
383.24231	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01875	15.5
55.05260	4.1
55.05511	57.6
57.03440	29.7
59.04979	2.1
65.03936	4.6
67.05164	3.8
67.05504	59.1
69.03421	12.3
69.07070	38.9
70.15393	7.2
70.15813	3.9
71.04990	7.0
79.05494	69.8
81.03419	72.4
81.07060	100.0
83.04987	26.0
83.08619	39.1
84.04536	2.6
85.02904	31.8
85.06564	3.2
91.05479	38.6
93.07047	43.1
95.04971	36.6
95.08614	27.7
97.02885	6.5
97.06507	11.5
97.10173	37.6
97.60629	2.2
98.21315	3.4
99.04427	3.4
99.08103	5.7
100.11231	2.6
102.02750	1.9
105.07039	33.4
107.04928	9.0
107.08602	27.7
109.06506	12.8
109.10149	17.5
111.04436	14.8
111.08067	21.3
113.06032	3.5
117.07013	8.8
119.08591	28.5
121.06521	7.1
121.10160	19.0
123.04387	2.6
123.08082	36.9
123.11708	4.7
125.09631	31.8
129.05556	2.1
129.06992	14.5
130.05000	6.8
131.08580	17.6
133.06502	3.0
133.10106	16.0
135.08061	8.8
135.11681	8.5
137.09621	10.9
139.11172	2.9
142.07819	2.9
143.08557	2.4
143.10666	3.3
145.10114	11.4
147.08041	10.4
147.11668	17.4
149.09631	10.0
149.13307	4.3
153.09126	4.8
153.12688	5.2
157.10133	17.1
158.98795	2.0
159.11674	3.2
161.13312	2.7
163.11183	18.0
165.09116	8.0
169.12277	2.8
171.10207	3.1
171.11711	3.7
175.11232	17.6
177.12683	2.6
181.12241	6.3
187.13414	3.0
189.11214	26.9
189.12717	3.0
191.10626	4.7
193.12236	54.2
202.15979	3.4
203.14240	2.6
205.12099	2.3
211.13303	50.1
222.13049	2.4
223.13293	14.5
227.12645	5.2
245.13724	2.4
245.18878	2.8
249.14870	4.2
255.17470	4.2
263.20215	2.1
267.16092	2.5
273.18509	26.9
285.17014	9.2
291.19543	68.7
341.12787	3.1
365.23230	8.4
383.14456	7.9
383.24307	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01875	15.5
55.05260	4.1
55.05511	57.6
57.03440	29.7
59.04979	2.1
65.03936	4.6
67.05164	3.8
67.05504	59.1
69.03421	12.3
69.07070	38.9
70.15393	7.2
70.15813	3.9
71.04990	7.0
79.05494	69.8
81.03419	72.4
81.07060	100.0
83.04987	26.0
83.08619	39.1
84.04536	2.6
85.02904	31.8
85.06564	3.2
91.05479	38.6
93.07047	43.1
95.04971	36.6
95.08614	27.7
97.02885	6.5
97.06507	11.5
97.10173	37.6
97.60629	2.2
98.21315	3.4
99.04427	3.4
99.08103	5.7
100.11231	2.6
102.02750	1.9
105.07039	33.4
107.04928	9.0
107.08602	27.7
109.06506	12.8
109.10149	17.5
111.04436	14.8
111.08067	21.3
113.06032	3.5
117.07013	8.8
119.08591	28.5
121.06521	7.1
121.10160	19.0
123.04387	2.6
123.08082	36.9
123.11708	4.7
125.09631	31.8
129.05556	2.1
129.06992	14.5
130.05000	6.8
131.08580	17.6
133.06502	3.0
133.10106	16.0
135.08061	8.8
135.11681	8.5
137.09621	10.9
139.11172	2.9
142.07819	2.9
143.08557	2.4
143.10666	3.3
145.10114	11.4
147.08041	10.4
147.11668	17.4
149.09631	10.0
149.13307	4.3
153.09126	4.8
153.12688	5.2
157.10133	17.1
158.98795	2.0
159.11674	3.2
161.13312	2.7
163.11183	18.0
165.09116	8.0
169.12277	2.8
171.10207	3.1
171.11711	3.7
175.11232	17.6
177.12683	2.6
181.12241	6.3
187.13414	3.0
189.11214	26.9
189.12717	3.0
191.10626	4.7
193.12236	54.2
202.15979	3.4
203.14240	2.6
205.12099	2.3
211.13303	50.1
222.13049	2.4
223.13293	14.5
227.12645	5.2
245.13724	2.4
245.18878	2.8
249.14870	4.2
255.17470	4.2
263.20215	2.1
267.16092	2.5
273.18509	26.9
285.17014	9.2
291.19543	68.7
341.12787	3.1
365.23230	8.4
383.14456	7.9
383.24307	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
54.43222	2.5
55.01864	8.8
55.05521	22.3
55.07534	2.5
57.03191	2.8
57.03440	37.8
57.07059	4.0
65.03936	2.8
67.05503	53.6
69.03402	3.2
69.07072	46.6
70.06579	9.4
71.05001	29.2
71.39093	3.3
73.02878	4.8
73.06535	4.5
74.00676	3.1
78.96773	2.6
79.05064	4.2
79.05497	52.8
80.83562	2.6
81.03424	3.8
81.07056	65.4
83.04966	5.7
83.08594	11.0
85.06538	9.4
91.05478	44.2
93.07049	51.5
95.04974	16.3
95.08604	40.4
97.06528	100.0
99.08099	20.8
100.11221	2.8
101.05433	2.9
105.07036	34.8
107.04971	13.1
107.08586	31.4
109.06524	14.2
109.10174	17.7
111.08088	5.4
113.05984	3.9
113.27435	2.7
115.07581	38.2
117.07021	14.2
119.08580	19.1
121.06499	6.8
121.10156	17.6
123.04424	2.6
123.08058	10.9
125.09570	5.2
127.07584	5.2
129.06960	9.1
130.06517	24.4
131.08569	28.7
133.06477	4.5
133.10153	22.4
135.08072	13.6
135.11676	8.7
137.09624	7.8
143.08551	7.9
145.10138	14.4
147.08034	8.2
147.11668	9.6
149.09641	6.6
149.13297	8.5
151.11133	6.4
157.10117	8.3
159.11661	12.8
161.09631	9.3
161.13321	5.2
163.11166	4.3
171.11655	4.6
173.13258	7.6
175.11217	4.7
177.10225	8.3
177.12779	5.1
183.11803	4.1
185.13211	4.1
189.12796	6.8
189.16283	3.4
191.14412	3.0
199.11353	3.6
199.14813	3.7
201.12811	3.0
203.14348	5.9
217.15831	11.3
219.13840	3.9
221.15286	5.0
227.17896	3.8
233.02464	3.7
233.15474	4.6
245.18874	4.0
255.17384	6.9
263.20004	5.7
269.17566	15.5
270.41653	2.7
273.18524	30.5
291.19577	29.4
307.19223	3.9
309.02100	4.5
309.20840	3.1
347.22058	5.4
365.23227	22.5
383.02295	3.9
383.20319	3.0
383.24442	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	382.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98627	0.4
56.73505	0.2
56.96565	9.2
57.97337	0.3
60.36089	0.2
70.12366	1.4
71.95269	2.1
78.40512	0.3
87.93989	0.3
98.21069	0.9
98.97581	82.0
99.97943	0.3
116.98618	69.2
117.99026	0.3
118.79454	0.2
123.45496	0.3
127.28194	0.3
131.00191	0.7
131.25090	0.3
134.99655	35.9
135.99991	0.3
140.00186	1.3
149.01184	0.6
153.00710	4.6
157.96812	0.3
158.01251	0.8
174.97609	0.4
177.00970	0.4
181.97316	0.3
192.98753	0.4
198.81320	0.3
216.98720	1.1
219.01945	0.5
223.92465	0.3
225.96230	0.3
234.99817	2.0
240.98611	4.9
241.98726	0.3
258.99765	71.9
259.99924	3.0
261.03082	1.1
273.01254	1.1
274.97653	0.7
276.02612	0.2
277.00815	100.0
278.00967	3.2
279.01047	0.6
282.01337	1.9
282.99802	1.8
283.99811	0.4
291.02252	2.2
295.01898	1.0
299.97842	0.5
300.02411	3.6
301.01019	2.9
302.01178	0.4
316.98801	0.7
317.98868	0.8
332.97006	0.3
334.92551	0.4
341.23712	0.4
344.03882	0.3
359.00409	0.6
360.00131	0.9
382.99994	2.1
401.01013	7.8
402.01495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81423	1.0
55.05508	4.3
56.92831	1.1
67.05507	6.2
68.05009	1.4
69.07068	6.8
69.39377	9.1
70.06593	13.8
74.76563	1.0
79.05495	7.2
81.07058	9.1
83.08611	3.8
84.70293	1.0
91.05463	8.4
93.07046	9.3
94.06570	3.9
95.04970	2.7
95.08603	8.9
96.08136	3.9
100.07626	4.5
100.70172	1.0
101.86774	1.0
105.07036	22.7
107.08601	9.0
108.08128	1.3
109.10171	3.3
114.05553	5.8
116.07095	7.7
117.07050	2.5
119.08582	19.4
120.08074	2.8
121.10157	7.9
122.09679	3.4
123.11726	1.9
128.06244	1.7
128.07094	5.9
129.07007	2.0
130.07785	1.4
131.08586	6.0
133.09146	1.5
133.10133	8.9
134.09679	2.0
135.11703	2.2
136.11195	1.3
141.07037	1.3
142.07793	2.1
143.08595	5.0
145.10114	9.5
146.09666	1.3
147.11723	3.4
148.11234	8.9
151.06320	1.6
154.08702	2.1
155.08551	2.3
156.09419	1.7
157.10153	5.7
159.11728	5.9
160.11244	1.8
168.10223	22.6
169.10196	3.7
171.11656	5.3
173.13373	2.2
175.14845	4.3
177.16429	2.6
178.08643	7.2
183.11697	1.5
185.13261	2.8
188.14349	1.6
189.16402	2.8
192.10269	4.4
194.11781	14.2
197.13293	2.0
206.11888	1.6
208.13332	1.2
211.14893	2.9
234.14824	1.3
237.16383	2.7
241.19525	1.3
267.21036	2.3
273.21307	1.0
290.21207	4.7
382.27444	100.0
383.27704	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	381.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.9
55.05517	12.7
57.03421	3.1
57.07074	3.3
67.05506	16.8
69.03456	2.0
69.07069	12.1
70.06557	1.9
70.43913	1.7
71.04980	2.7
71.08627	3.8
71.58069	2.5
79.05500	11.0
81.07062	24.4
83.04975	2.1
83.08646	2.7
86.09728	2.0
91.05492	10.6
93.07053	18.1
93.44522	1.8
95.04991	12.0
95.08611	16.9
97.06519	7.5
98.21165	2.3
99.08098	3.7
105.07053	13.1
107.08582	8.9
109.06527	29.2
109.10152	6.8
114.31551	1.9
117.06989	3.7
119.08599	8.8
121.06521	18.3
121.10147	7.5
123.08058	4.4
129.06941	1.8
130.07805	1.9
131.08589	4.8
133.10136	4.6
135.08067	8.3
135.11673	2.6
145.10115	9.0
147.11702	4.5
149.09642	3.1
159.11678	5.3
161.13240	3.0
163.11211	14.3
165.12770	31.8
173.13194	3.2
175.20099	2.0
177.12756	2.4
191.14319	7.2
261.22174	10.3
271.20624	2.3
289.21616	100.0
290.21848	2.8
307.22595	5.6
323.16269	4.8
363.25223	3.1
381.21783	4.1
381.26498	50.6
381.31378	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	381.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21018	1.6
52.51123	1.0
53.03939	1.6
55.01864	4.8
55.05516	8.3
57.03429	2.7
57.07082	7.4
67.05503	11.1
69.03426	1.9
69.07067	11.2
71.04980	2.4
71.08637	10.5
79.05489	11.6
81.07055	18.1
83.08621	3.1
85.06551	2.5
91.05468	9.9
93.07043	18.3
95.04967	21.5
95.08604	14.5
97.06523	6.0
97.10126	1.3
98.21333	1.7
99.08080	6.4
105.07016	8.8
107.08587	10.6
109.06520	31.0
109.10163	3.9
111.08084	1.5
115.75948	1.3
117.07003	2.2
119.08572	9.2
121.06518	14.0
121.10120	2.5
123.08038	3.7
123.11697	1.8
131.08563	7.3
133.10133	4.6
135.08031	5.8
135.11667	2.7
137.09636	3.3
139.11118	1.6
143.08614	1.4
145.10104	7.2
147.11668	3.2
149.09639	2.2
159.11681	2.6
163.11168	7.7
163.14732	1.5
165.12759	85.8
173.13297	5.3
177.12767	4.1
179.14249	1.9
181.15973	2.0
183.11670	1.3
185.13243	1.2
191.14290	22.3
197.13431	1.5
198.97549	1.3
205.15961	1.3
221.15292	1.7
233.15312	1.9
243.21251	2.0
261.22134	12.0
271.20618	3.4
276.07114	1.4
279.23267	1.9
289.21609	100.0
290.21927	3.8
307.22647	9.5
363.25232	4.7
381.26349	47.1
381.31232	2.1
382.26669	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	381.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13557	1.0
53.56233	1.1
55.01865	3.8
55.05261	1.1
55.05511	14.7
57.03432	5.6
57.07080	7.1
59.04987	3.2
59.55585	1.1
62.39522	1.1
67.05508	18.6
69.03420	4.2
69.07066	16.3
71.04995	2.1
71.08627	16.6
71.16396	1.2
71.18828	1.8
71.19153	1.5
75.04454	1.3
79.05482	13.4
81.07059	28.4
83.04967	1.6
83.08601	5.0
83.57999	1.1
84.08150	3.4
85.06525	4.5
91.05485	12.8
93.07046	23.6
95.04972	20.2
95.08606	23.4
97.06545	8.8
97.10173	2.3
99.08096	10.8
105.07032	15.7
107.08602	12.0
109.06523	43.4
109.10145	6.8
109.86327	1.0
111.08087	2.5
117.06996	3.1
119.08591	14.0
119.66255	1.0
121.06516	14.0
121.10134	7.8
121.47656	1.0
123.08099	5.2
123.11707	3.3
129.07013	2.6
131.08571	10.8
133.10132	6.0
135.08049	8.3
135.11688	2.8
137.09625	4.7
139.11156	3.5
141.09166	1.4
143.08557	1.5
145.10139	7.5
147.08089	1.9
147.11662	3.8
149.09615	3.2
149.13264	1.8
151.11182	1.5
151.14812	1.2
153.22038	1.1
157.10147	1.9
159.08060	2.1
159.11717	3.9
161.13255	3.6
163.11168	10.8
163.14842	2.8
165.12758	88.0
166.13071	1.2
173.09483	1.1
173.11945	1.3
173.13213	6.1
175.11166	1.6
175.14865	1.7
177.12802	5.3
179.10788	1.2
179.14346	2.5
181.15932	6.7
183.11644	1.5
187.14848	1.6
191.14299	12.8
197.13281	1.5
200.11906	1.3
201.12747	1.5
205.15869	2.7
209.15259	2.3
215.14415	1.8
233.15433	2.7
243.21153	2.0
247.20677	1.4
251.16483	4.2
251.23643	1.4
261.22159	19.0
271.20593	4.3
279.23285	3.8
289.21622	100.0
290.21979	3.5
307.22678	33.3
308.22949	1.8
325.20157	1.6
363.25269	11.9
381.26373	54.9
382.26886	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	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98265	6.5
63.13158	3.5
65.77577	3.7
66.45992	3.7
67.21059	3.4
70.38911	13.8
73.50391	3.7
94.92999	6.1
98.20772	3.5
109.09526	3.9
112.89581	13.5
139.91505	30.4
143.05777	4.3
146.46544	3.7
195.00111	5.2
200.97546	7.9
381.07901	100.0
381.12277	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	381.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
55.05508	21.8
56.05028	5.6
56.96573	1.9
57.03436	3.9
57.07065	2.3
67.05503	24.6
69.03433	14.0
69.07070	14.1
70.06590	5.3
71.04985	4.8
71.58183	2.0
79.05490	18.1
81.03438	3.8
81.07062	42.9
83.04964	6.4
83.06110	17.8
83.08618	7.3
84.04505	100.0
84.08131	3.5
85.02903	5.3
85.06552	8.5
85.53198	1.8
86.09715	4.4
91.05477	20.9
93.07049	38.4
95.04962	9.3
95.08602	31.8
97.06524	8.0
97.10172	5.4
98.06051	5.8
99.04432	2.6
99.08109	2.3
100.11266	4.4
101.07156	17.8
101.07789	3.1
101.11590	2.9
102.05559	9.8
105.07034	39.0
107.04974	2.4
107.08593	31.4
108.08155	3.1
109.06489	9.5
109.10135	17.3
111.04462	3.3
111.08091	5.5
112.07584	2.8
113.09660	4.7
117.06985	4.5
119.08578	38.1
121.06499	15.5
121.10148	14.5
123.08064	5.9
123.11707	2.9
125.09628	13.9
128.06242	2.5
129.06575	36.7
130.05009	96.4
130.06544	4.2
131.08539	10.2
133.10135	29.2
134.09625	3.6
135.08060	10.6
135.11670	16.2
136.06244	4.1
136.07591	9.5
137.05988	3.3
137.09642	6.6
142.07776	3.8
143.08557	12.9
144.09351	3.0
145.10117	8.8
147.07642	60.8
147.11708	17.7
149.09660	2.9
149.13237	9.3
151.07584	2.5
151.11201	7.4
157.10147	16.1
159.08093	2.6
159.11703	33.1
161.09642	14.0
161.13287	4.7
163.11147	5.1
163.14801	2.2
164.07106	5.0
168.13843	10.2
169.14217	5.3
171.11700	2.8
173.13251	10.0
175.11147	13.5
175.14838	36.8
177.12729	12.2
179.10681	3.9
182.08105	14.4
187.11168	2.4
189.12766	3.9
189.16364	12.8
191.14285	10.8
193.15916	3.8
196.13345	3.6
197.13699	4.5
199.14804	23.1
210.07635	11.5
217.15891	68.6
224.51187	2.2
227.10326	6.8
234.18558	3.0
235.16943	27.3
252.19621	7.9
253.18074	2.0
270.87698	1.9
271.17072	3.0
278.47311	2.0
289.17999	10.0
296.20410	5.5
318.20648	6.6
336.21671	10.5
337.21152	2.5
346.19864	2.7
363.22702	7.0
364.21234	5.8
381.23505	21.7
381.29132	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	380.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
55.05505	0.8
56.05013	0.3
57.03430	0.8
57.72294	0.3
67.05495	1.8
69.03389	0.3
69.07066	0.8
69.99838	0.7
70.00251	1.0
70.06596	1.0
71.04977	0.5
72.08155	0.8
74.06077	0.5
76.03992	0.5
79.05485	1.9
81.03408	2.3
81.07060	2.2
83.04982	0.5
83.08600	0.5
84.04488	0.7
84.08152	0.9
85.02895	0.8
86.09702	1.2
86.30293	0.3
91.05477	1.5
93.07030	1.3
94.06550	0.7
95.04946	1.1
95.08616	1.9
96.04495	0.3
97.06538	0.6
98.21425	0.7
104.94309	0.3
105.01680	0.3
105.07008	1.1
106.06577	1.6
107.08595	0.4
109.06528	0.7
109.10178	0.6
110.03513	2.2
110.06078	0.4
111.08131	0.4
117.05753	0.4
117.06973	0.4
118.06566	0.9
119.08595	0.6
120.04472	0.3
120.08124	1.7
121.10096	0.7
123.08052	0.7
128.04578	1.1
129.10297	0.4
130.04999	0.4
131.08568	0.7
132.08087	1.4
134.06021	1.3
134.09602	0.4
135.03026	5.5
136.06235	0.6
137.09584	1.3
144.08060	0.8
145.10185	0.4
146.05989	0.7
146.09657	0.4
146.72476	0.3
147.08119	0.5
147.11703	0.7
148.07591	0.8
150.05457	0.4
150.07809	0.6
152.05678	100.0
153.04076	10.4
154.02570	0.3
158.09724	0.4
160.07587	1.0
162.05457	0.7
162.09126	0.8
162.52837	0.3
165.09125	1.0
166.05038	0.7
176.07069	0.7
176.10599	0.4
178.04982	5.3
186.05540	0.5
186.12810	0.5
188.07063	0.7
190.07213	2.7
190.08658	0.4
191.05736	0.4
191.08018	0.3
192.02913	0.5
192.06508	1.0
193.12257	1.1
196.11208	0.3
198.12817	0.5
204.06578	0.8
205.12398	0.4
206.04530	0.6
211.13312	1.6
214.12250	0.8
216.13876	1.0
222.07709	0.4
234.07596	0.6
240.08748	0.9
242.11739	1.2
244.13290	1.1
244.17046	0.7
250.07033	0.4
252.08434	1.6
260.12878	1.4
262.17999	0.7
270.11215	1.8
288.12262	1.9
288.15527	0.6
302.13837	0.8
306.13470	0.6
306.20660	3.3
309.13293	0.5
334.16534	1.1
344.14966	1.2
362.18100	11.0
377.64313	0.3
380.19180	10.5
380.24313	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09373	3.5
56.96566	80.6
67.05526	4.3
70.06581	5.3
70.56941	4.7
70.57259	9.1
71.95246	5.0
72.34842	3.9
79.05508	7.3
81.07056	5.6
84.04494	5.8
91.05479	5.4
93.07036	5.5
95.04967	4.8
105.07040	10.8
107.08607	7.1
110.97618	4.8
118.06534	6.0
119.08581	6.8
131.08510	5.8
136.06149	12.2
137.02789	4.5
137.05984	4.7
145.10101	5.1
146.06012	11.2
146.99632	4.4
149.09596	3.9
157.10161	4.2
159.08128	5.1
166.07344	4.3
183.03261	7.2
190.98619	5.7
192.03143	5.9
192.13873	8.5
201.04352	5.2
208.99521	7.0
211.02832	5.0
219.06944	14.4
233.04787	4.4
235.06384	15.4
237.07982	91.9
245.05019	5.7
245.07874	8.3
248.03558	4.5
250.14326	6.7
251.05925	7.3
253.07451	9.6
255.09029	43.8
263.06009	37.9
263.08734	9.4
269.06982	4.3
281.06979	100.0
299.08090	29.5
304.08420	9.6
305.15768	10.9
361.05951	5.9
379.07394	24.7
379.19803	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21687	0.8
56.96570	11.6
70.06580	0.9
70.39335	3.4
70.98151	0.9
74.80715	0.9
79.05460	1.3
84.08139	1.5
84.96063	0.9
89.03924	8.9
98.20927	1.2
98.97578	3.6
107.04958	2.0
110.97569	2.2
116.98607	1.7
117.03375	8.6
119.01927	1.5
128.98569	2.7
135.04422	18.8
143.00108	1.0
145.02834	14.8
146.99657	4.1
147.04405	3.9
158.99658	1.5
162.26346	1.0
163.03911	77.8
164.04283	1.9
165.00746	2.5
177.00670	1.2
177.56526	0.9
185.00865	1.9
190.98654	1.0
191.03908	1.4
193.03458	2.4
195.03340	1.6
203.01932	3.8
205.00217	2.1
208.99626	0.9
213.04344	2.1
221.02968	100.0
222.03183	3.0
223.01193	1.2
229.03728	1.2
235.01147	1.2
235.04738	1.4
237.02832	1.3
239.01799	8.6
239.04303	13.1
244.04594	1.6
247.04552	25.3
257.03159	12.9
263.04041	4.8
265.05563	3.0
273.02658	2.0
275.04129	13.2
277.01920	1.7
281.05035	4.0
283.06750	1.6
293.04977	3.4
299.06259	4.6
301.02081	4.7
309.04623	1.6
319.03018	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	378.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14151	0.3
56.96572	0.6
61.01150	15.9
62.91594	0.4
66.70902	0.4
67.05484	0.4
68.05032	0.5
70.06599	3.2
72.08161	1.6
79.42149	0.4
80.13666	0.4
81.03421	3.7
84.04507	1.0
84.08147	79.2
86.06101	0.4
86.09708	0.7
91.05489	0.9
95.08653	0.5
98.21248	0.4
98.97569	0.5
102.05515	0.5
110.07165	0.5
119.04958	0.4
119.08586	0.4
120.08105	1.1
121.06555	0.5
121.62395	0.3
122.02728	1.2
129.10320	0.5
132.08432	100.0
133.08713	0.7
136.07591	0.8
137.09598	0.7
147.04420	1.4
165.09108	2.6
194.70003	0.4
201.12244	0.5
217.13654	0.5
221.87486	0.4
233.02637	0.4
239.02246	1.2
239.12773	0.9
245.16788	3.1
257.03259	0.7
273.16260	3.0
360.20004	1.0
378.04370	3.3
378.15881	0.6
378.20569	11.0
378.25244	0.8
379.04489	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71641	10.0
55.05504	30.4
57.07063	15.5
67.05488	41.5
67.14246	12.5
69.07056	40.9
69.24725	93.4
69.25135	26.6
69.33653	10.3
74.75390	10.1
79.05478	30.2
81.07049	50.4
83.08656	14.2
89.06012	36.0
91.05484	55.0
93.07047	59.5
95.04959	38.8
95.08604	64.4
97.06541	12.0
98.20729	24.3
98.21404	33.8
105.07025	100.0
107.08593	40.4
109.10136	35.0
110.08533	10.0
111.66162	10.0
114.45428	9.6
115.27267	9.9
117.06983	23.4
119.08601	85.5
121.10094	39.3
123.71125	11.8
131.08516	22.9
133.10089	47.9
135.11681	11.5
142.07722	18.5
143.08563	24.1
145.10127	37.0
147.11647	24.4
154.40948	11.8
157.10135	41.4
159.11678	31.8
161.09631	18.8
161.13264	16.7
169.09998	15.4
171.11668	20.9
173.13246	14.6
175.11273	12.0
177.16380	28.9
187.14697	11.9
195.12141	20.8
201.16428	14.7
203.17905	12.1
208.51279	11.2
377.35587	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	377.2321
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
53.03954	14.3
55.01866	15.0
55.05505	29.3
55.06409	9.5
57.03433	20.2
57.07074	12.3
67.05516	65.6
69.03429	40.4
69.07069	39.3
70.06601	23.1
71.04991	16.5
71.57796	15.5
79.05477	62.7
81.03425	39.6
81.07061	77.1
83.04992	14.5
83.08662	17.0
85.02909	18.6
88.07638	20.1
91.05498	84.9
93.07051	73.8
95.04978	21.4
95.08604	71.2
97.02910	11.8
102.09188	16.8
105.03424	64.6
105.07037	90.3
107.08598	38.8
109.02829	19.7
109.06509	19.7
109.10143	26.2
111.08064	17.2
117.07036	48.6
119.08587	57.7
121.06530	20.8
121.10146	38.5
123.08053	12.2
125.09694	13.1
129.07011	24.4
129.20863	10.9
131.08534	55.3
133.10167	35.8
135.08022	15.6
135.11662	29.2
141.06976	16.2
142.07750	17.6
143.08595	23.9
145.06483	12.6
145.10146	53.7
147.11737	36.4
149.05974	86.7
149.09628	15.7
155.08597	17.5
157.10161	39.1
159.11702	52.2
161.13365	13.9
169.10095	27.2
171.11726	35.8
173.13287	16.8
175.11195	16.9
185.13348	17.0
197.13275	22.5
213.16498	16.6
215.18065	17.4
218.15344	14.7
256.26315	59.8
323.20154	15.3
341.21182	28.4
359.21964	55.8
377.23053	100.0
378.29977	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.9
55.05510	18.1
56.05027	25.1
57.03426	3.2
67.05501	23.0
69.07066	11.5
69.90485	2.4
70.06592	24.1
71.05001	4.9
71.58552	3.8
72.08156	5.6
74.06074	9.0
74.16588	2.2
79.05492	23.0
81.07059	22.3
81.37045	2.4
82.06564	7.4
83.08612	9.4
84.04493	6.9
84.08141	4.2
85.06549	4.8
90.96773	3.3
91.05482	34.9
93.07049	22.0
95.04968	6.2
95.08622	12.1
97.06538	4.3
98.20680	2.8
100.07621	25.4
101.04253	7.3
102.05540	62.4
103.05472	2.8
105.07059	20.2
107.04964	8.3
107.08582	11.9
109.06525	3.4
111.08102	2.6
117.07012	17.6
119.04955	2.8
119.08588	10.3
121.06493	6.8
121.10139	6.6
128.06174	4.1
128.07036	2.7
129.07004	23.5
130.05002	4.0
130.06512	3.3
131.04948	3.3
131.08571	20.5
132.71587	2.3
133.10172	4.7
135.08041	9.0
135.11745	3.4
137.06071	2.4
138.56239	2.6
139.07547	3.6
141.07024	8.4
142.07744	3.3
143.08591	13.7
145.06528	4.9
145.10121	10.0
146.08127	100.0
147.08015	2.7
149.09650	5.3
155.08601	9.8
157.10159	9.1
159.11693	5.9
165.07100	2.9
167.06374	9.2
167.08560	4.7
169.10138	7.8
171.11703	6.6
173.13274	2.9
175.09648	4.4
175.11069	2.6
181.10292	3.5
183.11639	3.8
185.09743	4.1
185.13324	4.2
186.82333	2.7
187.11064	2.7
195.11699	7.0
197.13255	3.3
200.12813	6.1
207.11729	4.2
209.13225	4.9
213.06960	16.7
213.12686	4.3
218.13852	22.8
221.13258	4.7
225.12697	4.1
233.15393	8.3
235.72467	2.6
243.13779	3.6
260.09573	2.9
261.07300	5.4
277.72003	2.8
287.18005	4.2
295.20486	3.1
305.18994	4.6
313.21533	6.3
323.19934	15.5
331.22159	2.5
341.21164	18.3
359.14365	3.2
359.22101	10.9
377.15921	4.8
377.23328	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	377.2324
Annotation	AT-Resolvin D1
Peak:m/z	Relative Intensity
51.02368	1.7
53.03941	4.4
55.01876	12.5
55.05261	2.3
55.05512	29.5
57.03431	8.0
57.07071	2.3
59.66563	1.3
61.02903	2.4
62.63811	1.6
63.83967	1.4
65.03953	2.7
67.05173	3.1
67.05508	45.1
69.03128	1.8
69.03432	22.1
69.07069	20.0
69.48758	3.8
69.49165	8.6
71.01356	3.0
71.04987	12.2
73.02914	5.0
79.05494	54.9
81.03420	23.6
81.07059	52.1
83.04993	13.0
83.08599	9.9
85.02904	10.7
85.06516	4.5
91.05482	61.7
93.03409	1.9
93.07046	54.4
95.04982	17.0
95.08610	42.1
97.02896	10.6
97.06545	9.7
97.10172	2.2
99.04443	5.8
99.08096	3.4
103.03925	2.8
103.05484	3.5
105.07031	60.9
107.04933	10.3
107.08599	27.3
109.02882	5.6
109.06541	9.7
109.10149	13.8
111.04462	10.7
111.08056	5.4
113.06026	2.2
115.03935	2.9
115.05441	5.0
116.06255	2.1
116.28855	1.4
117.05481	2.2
117.06210	1.9
117.07018	33.1
119.04926	3.0
119.08580	45.0
121.06497	10.6
121.10143	22.8
123.04411	3.4
123.08063	9.5
123.11729	4.0
125.05988	2.4
127.03928	4.7
128.06219	5.6
129.05446	4.5
129.07008	27.9
130.07756	3.2
131.04868	2.6
131.08580	43.2
133.06487	8.1
133.10133	39.7
135.08078	7.2
135.11667	15.6
137.06078	2.3
137.09615	6.8
137.79428	1.8
141.07002	10.5
142.07739	5.4
143.08568	22.4
145.06506	8.5
145.10126	36.0
147.08038	12.3
147.11697	25.9
149.05962	2.2
149.09642	12.1
149.13246	5.2
151.07536	4.2
151.11140	2.0
153.07051	2.1
154.07727	1.9
155.08545	11.7
157.06480	3.4
157.10127	23.6
159.08064	7.3
159.11673	27.6
161.09634	13.1
161.13271	11.0
163.07542	2.7
163.11212	7.3
165.09100	2.7
165.12691	1.8
167.08591	5.5
167.10733	1.5
168.09332	2.1
169.10095	13.7
171.08060	5.5
171.11693	20.3
173.09634	5.6
173.13295	15.4
175.07581	1.9
175.11221	9.8
175.14760	1.5
177.12721	3.1
179.08470	1.8
179.10645	2.5
181.10086	5.1
183.08025	3.0
183.11684	13.4
185.09616	4.5
185.13261	11.0
187.11227	9.6
187.14789	3.8
189.12827	8.4
191.10652	2.4
193.10170	2.9
195.11707	6.7
197.13239	4.9
199.11218	5.6
199.14876	4.0
201.12756	7.1
201.16466	2.3
203.10626	3.4
203.14340	2.8
203.17885	2.2
205.12155	3.3
207.11781	2.2
207.13875	2.1
207.72511	1.8
209.13332	3.4
211.11197	4.1
211.14807	4.5
213.12758	4.6
213.16362	7.6
215.10678	1.8
215.14305	2.3
215.17917	5.6
217.12215	2.7
219.13829	2.2
225.12779	4.0
225.16388	5.1
227.14360	2.7
227.17931	5.5
229.12233	4.0
229.15880	2.7
231.17490	5.5
233.19005	3.7
239.14368	3.4
239.17891	3.9
241.19505	3.7
243.13832	3.8
243.17403	6.5
245.19025	7.8
247.16942	2.5
249.18552	6.0
251.20151	1.8
253.16200	1.7
253.19283	1.9
255.17511	5.1
257.15244	1.7
257.18985	4.9
259.17111	3.0
259.20609	2.0
261.15063	1.7
261.18460	8.3
263.20163	3.7
269.18994	2.7
273.18457	7.0
275.20053	9.0
277.19748	1.8
281.18976	1.6
285.18503	2.7
287.20071	14.4
289.21567	2.7
291.19507	4.9
295.20477	3.3
299.20026	6.6
303.19516	4.7
305.18945	2.0
313.21631	9.8
317.20978	9.5
323.19958	12.4
331.22604	4.4
341.21094	35.3
359.22144	42.1
377.23215	100.0
378.23553	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	377.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.5
56.05032	3.5
57.03428	7.3
61.01155	42.7
62.22058	2.3
67.05505	6.4
69.03438	2.2
69.07073	2.5
70.06588	8.2
70.15171	4.1
70.15539	8.1
71.81624	2.0
72.04517	5.3
78.03795	7.5
79.05493	7.6
81.07058	78.6
81.07520	5.1
83.06107	3.0
83.08621	3.0
84.04502	4.5
84.08143	2.7
85.02900	3.4
86.06068	32.7
86.09692	4.7
87.02698	14.3
88.02221	4.1
90.24933	2.2
91.05470	3.0
93.07028	4.9
95.04971	6.6
95.08608	3.9
97.06506	2.7
98.06062	5.7
99.08089	9.1
100.11261	9.1
102.03772	14.8
103.02178	2.4
105.07053	2.6
107.08579	2.6
110.09701	4.0
113.05984	5.3
115.05796	12.6
115.08710	5.0
116.05327	4.1
119.08610	3.5
120.04848	10.7
120.08115	10.9
121.06506	2.6
121.10130	3.8
124.07626	2.5
130.05013	2.5
130.06503	16.7
131.06850	11.2
131.08569	2.9
132.04785	6.3
133.10098	2.9
135.08076	2.6
142.08618	7.3
149.07433	34.8
158.09979	15.6
159.08391	50.9
175.07524	2.6
184.09724	3.9
185.11055	2.6
213.12869	2.3
223.10976	2.4
229.13705	54.1
229.15895	3.8
229.78616	2.1
231.13866	2.9
243.10274	2.9
247.14764	100.0
248.10478	3.0
298.79343	2.3
359.19992	50.2
377.13522	17.6
377.20026	2.8
377.24524	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	377.1455
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03930	1.5
53.90306	0.6
54.79475	0.5
55.01860	0.6
57.03441	6.8
59.05014	0.8
61.02912	2.7
69.03074	1.1
69.03424	13.1
70.49456	1.8
71.01343	2.8
71.04974	3.1
73.02908	1.7
75.04470	2.2
81.03423	3.3
82.34077	0.5
98.21064	1.2
99.04448	5.5
117.05473	1.6
120.08070	1.4
135.69955	0.5
145.07599	1.1
157.06357	0.7
170.07098	1.5
170.24950	0.6
172.08693	28.6
174.10265	0.8
194.72934	0.5
197.08241	0.6
198.06624	6.0
200.08235	4.4
216.07672	16.3
218.09204	1.3
243.08769	69.7
244.09233	1.0
267.34448	0.6
316.12729	0.8
333.80960	0.6
359.13470	3.0
377.14539	100.0
378.14886	2.9
387.77045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.2
55.05492	1.0
57.03427	1.9
61.02933	6.1
67.05479	1.8
68.99789	8.1
69.03423	3.3
70.02943	0.9
70.64902	1.8
71.01366	2.5
73.02914	1.7
79.05488	2.5
81.03423	4.8
81.07038	1.4
85.02902	7.9
87.00832	10.6
91.05476	4.5
95.04957	2.4
97.02901	3.4
99.04438	1.6
103.03915	1.2
103.05441	2.8
105.01891	1.0
105.07025	2.2
105.08521	1.0
107.04961	1.6
111.04488	1.6
115.05459	8.8
116.06241	1.4
117.07034	4.6
119.08618	1.7
121.06554	1.6
123.04481	1.3
128.06247	7.6
129.01865	6.2
129.06995	5.9
130.06529	3.2
130.07793	1.9
131.04898	5.4
132.05717	2.4
133.06458	1.6
137.05983	2.3
141.06998	13.1
142.07703	1.0
143.04932	4.7
143.08556	3.3
144.05688	12.5
145.06474	5.8
146.07272	2.5
147.02870	1.9
147.04321	1.1
148.05222	4.7
149.05963	1.8
151.07515	1.3
151.49530	1.0
152.03430	3.3
152.06200	3.8
153.06976	3.6
154.04916	1.0
154.07796	1.2
155.04926	2.6
155.06061	1.3
155.08516	2.1
157.06531	5.8
157.10103	1.3
158.07274	16.5
159.04387	1.7
159.08054	6.1
160.05186	4.8
161.05988	24.7
161.09593	4.0
162.06763	5.4
163.07536	1.8
165.06996	5.3
166.07672	1.3
167.08569	10.8
168.05736	1.5
169.06487	11.5
170.04593	1.2
170.07251	5.5
171.04369	5.4
171.08011	7.9
172.05170	7.3
173.05977	2.9
173.09604	4.4
174.06761	5.4
175.07552	18.2
176.08325	1.2
177.06987	2.5
177.09119	9.2
181.06477	3.7
182.07257	2.0
183.08006	4.1
184.05130	1.8
184.08800	2.2
184.47243	0.9
185.06006	7.0
185.09656	4.1
186.06755	12.6
187.07544	37.0
188.04706	6.7
188.08127	1.8
189.05457	7.1
189.09071	7.8
190.06248	3.9
191.07112	6.7
194.07297	1.2
195.08047	15.7
196.08855	1.7
197.05960	6.9
197.09560	1.1
198.06706	4.2
199.03909	6.6
199.07533	8.1
199.11111	2.3
200.05528	1.4
201.09114	86.6
202.09666	3.2
203.07121	2.3
203.10692	10.1
204.07768	2.3
209.09569	1.3
211.07474	3.6
212.08279	4.0
213.05563	1.8
213.09094	10.4
214.06229	13.8
215.07011	2.0
215.10664	6.5
217.04996	10.9
217.08485	2.3
217.12175	1.5
218.06691	7.3
223.07515	5.1
224.08342	1.2
225.09076	1.7
227.06989	2.6
227.10663	41.8
229.08606	17.6
231.10178	10.5
232.07307	27.8
234.63220	1.2
237.09132	3.7
240.07750	1.9
241.08659	1.9
243.10149	3.6
245.07956	1.1
245.11729	4.6
255.10165	36.6
261.11209	3.0
273.11215	100.0
274.11575	2.4
291.12262	9.0
299.09055	2.5
359.11224	1.3
363.21011	1.0
377.08203	3.4
377.12549	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	377.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.05500	4.3
56.05022	5.7
58.99596	8.8
61.01139	5.4
68.05027	33.7
69.03431	1.8
69.05813	34.3
69.07052	4.4
70.06587	4.8
70.33684	1.5
74.00643	3.2
76.02229	2.3
79.05497	29.2
80.05033	1.7
81.07053	14.8
81.88869	1.7
82.06564	3.2
84.08151	2.3
85.01129	100.0
86.00651	7.2
86.99048	3.5
87.02692	31.3
88.03979	2.8
91.05479	4.2
92.01663	1.6
93.07044	3.8
94.06553	1.8
95.04980	4.0
96.04517	2.6
97.01102	5.9
98.09696	9.1
99.71929	1.7
100.02190	3.2
101.01719	7.1
102.03767	9.1
105.07050	6.4
107.08574	4.2
112.02164	4.5
113.01659	2.1
113.04234	53.2
114.02490	2.5
114.03764	2.6
116.05318	78.4
117.03718	27.1
121.06511	1.9
122.09641	2.2
124.02189	2.8
129.04800	6.9
130.06512	7.0
131.06834	2.2
132.01154	4.7
133.01413	6.3
135.08043	3.6
139.05768	13.5
147.02046	3.3
149.90657	1.7
151.03256	20.0
152.72145	1.8
153.04887	3.5
155.06392	1.9
156.08421	24.2
159.06006	1.7
159.08029	2.4
159.11653	1.8
175.03600	5.9
176.01996	12.7
181.04268	1.6
183.00528	2.5
185.06346	16.5
197.03844	4.7
198.04428	1.8
199.03621	5.8
199.05336	3.6
200.07449	5.2
202.08971	63.0
210.05724	2.1
213.06950	4.8
215.14340	1.9
217.04657	1.8
231.02425	2.0
243.13795	2.0
244.04633	4.2
245.04173	20.4
277.01331	3.6
295.09436	2.4
311.09149	2.2
313.10474	8.4
338.82126	1.8
359.09048	10.2
377.24130	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	376.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.2
55.05508	6.9
55.43572	1.6
56.96561	3.6
57.07084	7.3
65.03943	1.7
67.05502	8.7
69.07069	14.4
69.16788	1.3
70.01433	2.1
70.01842	5.5
70.06608	1.5
70.11237	1.4
71.05015	1.9
71.08635	36.6
79.05488	6.6
81.07059	13.3
83.08643	2.5
85.06527	1.9
86.06080	1.9
86.09702	12.8
88.11272	100.0
91.05472	6.8
93.07038	10.8
95.04967	12.6
95.08620	14.6
97.06534	3.0
99.08096	3.1
105.07040	6.5
107.08597	8.1
109.06543	18.1
109.10152	3.4
117.07046	1.9
119.08585	5.1
121.06541	2.0
121.10160	3.5
131.08582	5.3
133.10144	4.0
135.08051	3.6
137.09579	2.2
145.10205	2.1
147.11662	4.7
149.09695	2.1
149.13216	1.7
155.08446	2.0
156.13866	6.3
159.11758	1.7
163.11194	1.8
163.14948	2.0
165.11378	3.2
165.12761	63.6
170.15349	2.7
173.13281	6.1
175.11159	3.0
184.13339	6.1
184.16913	3.5
191.14316	7.1
201.12865	3.8
217.18620	1.5
222.18471	1.9
224.20064	8.0
229.19611	2.1
254.21182	4.3
262.21725	4.7
271.20587	5.7
278.24805	22.5
289.21570	6.0
347.34158	1.6
358.31180	4.8
376.26855	2.2
376.32166	39.3
376.36789	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	376.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.4
54.73674	4.0
55.05508	18.9
57.07076	11.0
67.05505	33.5
69.03431	6.8
69.07067	26.1
70.97673	11.3
71.08637	35.0
78.00764	4.1
79.05499	35.6
80.06275	9.7
81.07063	63.9
83.08630	13.0
85.74449	4.2
86.09702	14.4
88.11275	100.0
91.05486	46.5
93.07051	78.1
95.04978	53.7
95.08607	41.0
97.06551	10.1
99.18578	4.3
102.78643	4.0
105.07034	96.0
106.07343	8.0
107.08601	46.8
109.06529	31.6
109.10165	13.0
115.05529	4.7
117.07040	23.7
119.08589	92.6
120.09341	5.8
121.06504	11.3
121.10144	41.4
122.07304	6.6
123.08100	5.3
123.11723	9.4
128.06216	14.4
129.07040	20.9
130.07770	5.3
131.08563	55.0
132.09352	12.3
133.06502	6.4
133.10139	57.0
135.08061	9.6
135.11694	14.2
141.07001	5.8
142.07817	18.5
143.08582	48.2
143.37418	4.8
144.09341	22.9
145.10138	76.3
146.10788	5.4
147.11702	19.3
147.73930	3.7
155.08562	20.8
156.09331	15.1
156.13870	6.7
157.10146	56.1
158.10826	6.8
159.08086	7.1
159.11682	47.4
161.09648	14.5
161.13280	10.6
163.11148	5.6
165.12766	68.5
167.08629	5.9
167.39616	4.6
169.10172	22.7
170.10831	10.7
171.11687	26.9
173.09679	7.2
173.13293	24.6
175.11194	7.2
175.14778	10.7
181.10126	16.0
182.10936	10.0
183.11702	21.6
184.16840	4.3
185.13312	18.6
187.14857	11.4
191.14262	5.8
192.09389	4.6
193.10106	8.7
195.11749	20.4
196.12299	5.5
197.13289	24.3
199.11171	5.5
199.14922	6.3
201.16525	6.4
207.11778	6.5
209.13229	13.9
211.14819	16.9
213.16373	8.2
221.13402	6.2
222.14082	6.4
223.14812	7.6
224.20079	5.9
235.14886	5.4
237.16328	6.6
251.17987	8.9
253.19560	12.0
266.20496	5.5
267.21011	6.4
278.24759	20.2
296.21439	6.3
361.25189	6.3
376.27377	43.1
376.32159	46.8
376.36658	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	376.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	4.9
53.26611	3.8
55.05510	17.4
55.56937	3.6
57.07072	10.7
57.22268	3.9
67.05498	20.4
69.07067	16.2
70.03701	19.7
71.08630	14.8
79.05495	31.9
81.07064	56.3
83.08634	5.8
83.62384	3.7
88.07634	4.0
88.11267	39.5
91.05486	43.7
92.06268	4.1
93.07050	70.8
94.07877	5.6
95.04964	44.8
95.08604	32.6
97.06519	7.0
97.10197	4.4
103.05492	4.5
105.07034	100.0
106.07856	5.0
107.08606	55.0
109.06519	12.8
109.10155	19.7
110.07294	5.9
115.05434	5.4
117.07021	28.2
119.04968	4.4
119.08577	87.6
121.06481	16.7
121.10139	36.1
121.47672	3.7
123.11687	14.4
128.06233	7.9
129.07031	23.3
130.07785	11.8
131.08560	53.6
133.10138	49.4
135.11703	13.6
141.07030	5.9
142.07762	16.4
143.08585	49.5
144.09341	18.6
145.10117	73.3
147.08057	4.6
147.11682	17.6
149.13243	4.7
155.08542	13.5
156.09360	16.6
157.10138	52.0
158.10825	8.7
159.11693	48.5
161.09669	10.6
161.13258	9.6
165.12735	32.6
167.08499	4.7
168.09280	4.7
169.10124	18.4
170.10843	11.0
171.11671	26.4
172.12349	7.3
173.09727	4.4
173.13284	18.7
175.14798	8.8
181.10123	12.6
182.10928	9.2
183.11690	20.7
185.13257	18.7
187.11176	4.5
187.14821	12.3
188.11876	4.4
191.14322	5.5
193.10155	5.1
194.10818	5.1
194.65144	4.8
195.11711	14.8
196.12410	4.4
197.13249	17.6
198.14075	4.3
199.14824	6.7
201.16466	5.1
207.11598	8.3
208.12248	4.4
209.13310	12.6
210.13887	4.0
211.14862	14.2
221.13213	10.8
223.14812	12.7
225.16402	7.0
235.14806	5.4
237.16354	8.0
239.17821	4.7
251.17950	9.9
253.15990	5.9
253.19611	9.1
265.19501	5.2
267.21225	7.3
268.21878	5.3
278.24835	6.4
289.21756	5.5
293.22787	5.6
296.21252	5.6
376.27521	51.2
376.32202	16.7
376.37021	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08738	5.4
61.01133	8.4
68.05001	6.0
69.07062	7.3
70.06234	9.7
70.06593	100.0
71.58622	7.2
72.08149	10.5
79.05514	5.2
84.04503	8.5
84.08132	21.3
86.09711	34.6
88.03982	8.0
91.05508	7.6
100.02171	6.5
105.07057	6.8
107.35847	6.6
116.05315	6.8
116.07028	5.9
120.08080	30.4
129.10237	14.2
130.04985	7.9
130.06538	13.8
133.10127	6.0
137.06009	6.7
142.04897	7.4
144.11745	5.3
146.02737	6.6
148.49069	6.1
151.03893	8.0
152.04185	8.8
183.14877	15.7
217.13676	11.9
232.05051	6.2
238.08594	7.1
239.08215	7.5
240.09042	7.0
255.11293	21.1
256.10764	6.9
263.13910	19.3
273.12372	12.0
305.10181	12.1
376.07928	42.1
376.13287	19.9
376.21741	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	376.2117
Annotation	DHEA-7-CMO
Peak:m/z	Relative Intensity
50.27322	1.4
55.00674	1.5
55.05513	3.2
57.07049	1.6
57.97168	1.5
60.31527	1.5
67.05482	4.5
68.01372	2.4
69.07067	12.3
70.06593	3.0
71.57298	2.2
79.05491	5.8
80.05012	3.9
81.07053	12.6
82.06567	2.6
83.08609	2.8
84.04490	2.4
86.82152	1.5
91.05474	10.7
93.07047	7.3
94.02921	6.4
95.04966	1.6
95.08608	10.8
96.04485	4.8
98.21085	1.8
105.06377	3.1
105.07028	34.7
106.06564	2.0
107.08593	9.7
108.08125	2.5
109.10155	5.7
110.06048	6.2
114.01859	7.6
117.07021	8.7
119.08582	31.0
121.10146	6.7
123.11719	6.3
124.03970	3.5
126.05510	4.4
128.03444	4.5
128.06226	1.8
130.07809	4.1
131.08591	15.2
132.08078	2.8
133.10135	23.7
134.05952	1.8
135.11676	2.0
136.03929	1.6
136.07629	2.6
138.01791	1.8
138.05461	2.4
140.03397	5.5
143.08540	2.9
144.08157	1.9
144.09294	2.4
145.09015	3.0
145.10130	33.7
146.10942	1.5
147.11682	9.1
152.03400	2.9
154.04964	4.8
157.10150	3.1
159.11671	21.5
160.12523	1.6
161.13260	5.3
166.04971	1.7
173.08226	1.5
173.13229	7.0
175.14830	36.5
178.04961	4.0
180.06624	2.8
186.14182	1.8
188.05568	6.8
201.16386	51.8
214.16229	1.9
226.15622	1.4
252.08698	4.5
254.10208	3.0
256.16867	2.3
260.12909	2.5
284.16470	2.9
286.21719	1.8
302.17465	11.3
318.14127	1.8
320.14801	1.6
334.16605	3.3
376.21176	100.0
377.15701	1.9
377.21216	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.7
55.05511	21.5
67.05509	26.9
67.60915	6.6
69.07060	14.1
69.59310	4.7
70.37984	4.8
71.58246	5.5
72.38132	5.7
79.05499	33.8
81.07058	50.7
91.05486	51.0
93.07042	61.1
95.04985	37.5
95.08610	38.0
97.06506	10.2
105.07024	100.0
107.08601	51.7
109.06522	14.2
109.10168	25.8
117.07002	18.3
119.08586	70.0
121.06490	8.4
121.10135	55.4
129.06993	13.0
130.07756	10.7
131.08589	38.1
133.10121	45.3
135.11693	11.7
136.41920	6.0
142.07805	13.9
143.08575	28.5
145.10149	68.4
147.11708	15.6
155.08572	8.4
156.09283	9.2
157.10178	36.6
157.11252	6.5
159.07988	6.7
159.11685	27.4
161.09700	7.4
169.10164	16.1
171.11682	14.1
173.13274	15.2
175.14833	7.9
181.10097	10.6
183.11746	9.1
185.13269	11.7
187.11246	8.1
187.14795	8.0
195.11815	9.7
197.13278	16.1
209.13245	12.2
211.14700	7.1
221.13174	6.4
235.14961	5.3
237.11253	7.0
375.16220	8.5
375.26663	34.1
375.30807	13.5
375.36505	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	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.1
55.01874	4.8
55.05501	13.2
65.03947	4.7
67.05504	23.8
67.24763	3.8
69.07055	12.0
69.31046	19.2
69.31471	13.7
79.05501	41.0
81.07060	50.9
81.49515	3.5
83.04941	5.6
87.53238	3.1
91.05480	59.9
93.07047	76.2
95.04968	37.2
95.08613	37.3
97.06524	10.7
103.05450	6.8
105.04527	3.2
105.06377	6.7
105.07036	100.0
107.08595	43.3
109.06507	13.0
109.10159	18.6
115.05468	7.4
117.07043	18.4
119.08594	80.8
121.06496	8.4
121.10136	65.4
123.08113	6.8
128.06227	11.4
129.06981	16.9
130.07767	7.5
131.08563	41.2
133.10126	45.1
135.11699	15.4
138.76321	3.6
141.06944	5.2
142.07800	21.4
143.08556	28.4
144.09271	9.3
145.06520	3.8
145.10120	52.7
147.11729	21.1
154.07803	5.3
155.08513	10.1
156.09271	7.1
157.10153	39.6
159.11748	29.2
161.09610	8.3
161.13220	7.9
167.08481	4.2
169.10168	18.6
170.10930	5.5
171.11635	19.3
173.13240	13.0
175.11224	5.8
175.14850	7.1
179.08600	4.8
181.10088	8.2
183.11699	9.2
184.12555	4.4
185.13194	8.7
187.11143	4.7
187.14809	11.4
193.10143	7.9
194.10989	4.1
195.11673	8.2
197.13242	6.1
199.14836	8.5
206.11052	4.7
207.11630	7.6
209.13335	9.0
211.14850	6.4
223.14815	4.8
235.14917	6.1
237.16234	4.7
253.19460	5.9
357.25787	5.2
375.26685	34.9
375.36722	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	375.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01869	1.1
55.05504	3.5
56.05026	2.5
65.03932	1.1
67.05506	9.6
69.03445	1.7
69.07056	3.1
69.38281	8.6
70.06577	3.8
72.08127	1.6
79.05487	6.2
81.07056	18.5
83.06109	15.1
84.04507	11.8
84.08143	6.5
85.02895	1.3
86.09694	1.8
89.52088	0.9
91.05468	9.9
93.07047	12.9
95.04972	7.4
95.08601	15.3
97.06516	1.5
98.21518	1.8
100.11237	0.9
101.07127	7.1
102.05535	1.1
103.05422	1.9
105.07030	24.5
107.08604	16.7
109.06543	1.8
109.10155	6.6
109.65021	1.1
115.05396	1.4
116.06200	0.9
117.07001	4.9
119.08584	31.3
120.08073	1.9
121.06491	1.8
121.10126	5.9
123.08038	3.0
129.06587	38.5
129.10263	5.5
130.04971	4.9
130.07820	1.6
131.08578	12.3
133.06474	1.6
133.10120	12.3
135.08046	2.9
137.05954	3.8
143.08545	4.0
144.09299	2.6
145.06294	1.0
145.09019	1.7
145.10129	23.2
147.07706	3.7
147.11682	32.1
149.09581	1.2
151.03896	5.2
152.06218	2.1
155.08472	1.6
157.10117	4.8
158.10902	2.0
159.08043	1.4
159.11693	66.4
161.06042	1.9
161.09679	1.1
163.03908	1.3
165.05525	0.9
167.08548	6.9
169.10129	4.0
171.11731	6.3
172.08794	2.3
173.09676	4.9
173.13263	15.4
175.07454	1.3
181.06543	1.3
181.10095	2.7
185.05940	1.6
187.11197	7.7
189.09151	2.1
195.08041	8.3
199.07594	4.7
201.12686	3.0
201.16386	100.0
203.07007	1.2
211.14792	3.6
213.09070	10.4
217.05025	2.3
223.07483	1.2
229.15863	17.6
231.10187	2.0
241.08589	11.0
256.59070	1.0
259.09625	5.6
333.06210	1.1
358.20242	1.5
375.10779	3.9
375.22720	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
56.05037	2.9
67.05495	0.9
68.65101	0.2
69.03426	0.3
69.07070	1.1
69.52008	1.3
69.52428	0.6
70.02943	1.3
70.06581	1.1
71.86124	0.2
72.08141	2.1
74.06081	1.2
74.90100	0.3
77.32642	0.2
80.57436	0.2
82.06587	1.9
84.08142	100.0
85.02891	0.4
85.06549	0.5
85.08485	0.2
86.09702	5.8
88.03989	5.0
95.04945	0.2
98.02420	0.5
98.82639	0.2
99.09193	0.3
101.10770	2.4
102.09193	0.3
110.06047	1.3
111.09205	3.1
112.07605	1.3
115.05063	0.3
118.08665	0.3
127.03931	0.4
127.08672	1.4
127.91639	0.3
128.07042	0.3
129.10239	80.0
130.08647	2.6
130.10648	0.3
132.10234	0.4
133.06100	0.7
139.08662	4.2
142.32942	0.2
147.11270	3.5
154.08614	0.2
156.11366	0.7
157.09702	0.9
164.07072	0.5
166.09761	0.6
167.08160	1.3
180.11351	0.9
181.09692	0.5
184.10808	5.9
191.08177	0.7
195.15102	0.3
197.16521	0.4
198.12352	2.2
199.10788	1.1
201.12370	0.3
202.31023	0.2
204.06786	0.2
208.10844	0.8
209.09207	13.3
210.07709	0.5
218.97385	0.5
219.13408	1.3
219.81729	0.2
224.17502	0.4
226.11867	24.8
227.10289	2.6
227.12250	0.5
241.15500	0.8
243.17003	1.6
244.12935	14.1
245.11417	0.7
258.14545	0.4
260.19690	6.1
262.13968	4.9
270.18042	1.4
322.17316	0.4
329.21930	0.4
339.20139	0.9
340.18674	1.3
357.21320	5.0
358.19653	2.2
375.22369	21.9
376.10593	0.3
376.23090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.224
Annotation	Lys Leu Asp
Peak:m/z	Relative Intensity
55.05512	0.6
56.05032	4.1
56.96562	1.0
59.84832	0.3
60.05651	0.3
63.97135	0.3
67.05492	0.7
67.27302	0.3
67.36869	0.3
70.06582	1.1
71.57527	0.4
72.08154	0.4
81.60397	0.3
82.06581	1.4
84.08145	100.0
84.96033	0.4
85.06542	1.1
85.08481	0.3
86.09707	10.1
96.08124	0.6
98.21098	0.4
98.97596	0.7
101.00905	0.6
101.10783	4.3
102.09185	1.2
107.20493	0.3
111.09205	0.6
112.07581	0.7
119.01924	0.7
119.96460	0.4
126.12698	0.4
129.10245	48.7
130.08693	0.5
130.10593	0.4
130.93280	0.4
133.03461	0.7
137.78900	0.3
147.11263	0.4
152.14343	1.4
173.12944	0.8
175.11938	0.5
188.99141	0.3
197.16495	4.5
201.12384	0.5
214.19122	0.5
215.00346	0.4
224.17580	1.7
225.15944	1.5
242.18633	4.6
247.02928	0.4
247.12953	1.9
255.01849	0.8
260.19659	0.8
273.02805	1.0
315.01892	0.4
357.21249	0.5
358.19693	1.4
375.22418	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75442	1.4
55.01849	1.6
55.05505	5.4
55.93522	1.6
56.05021	4.7
60.04517	1.7
67.05498	5.2
69.03419	1.7
69.07070	3.1
70.06594	9.4
70.20164	5.3
70.20518	2.5
72.08144	5.4
72.57666	1.5
78.17067	1.3
79.05476	5.1
81.03414	16.4
81.07037	4.9
83.04958	3.3
83.06107	1.6
83.08605	5.1
84.04504	75.7
84.08144	58.8
85.02887	5.0
86.09729	15.5
88.03996	1.8
90.05588	1.8
91.05460	8.3
93.07023	2.9
95.04953	5.0
95.08592	1.9
96.04477	3.3
98.20790	2.2
101.07127	8.0
102.05524	6.0
105.07037	3.7
107.08578	2.8
110.07148	2.0
111.08094	2.8
119.04902	3.6
119.08576	2.2
120.08082	5.6
121.10205	2.2
126.05439	1.7
129.06961	2.5
129.10237	39.1
130.05005	100.0
130.06531	3.4
131.05084	1.9
131.08566	3.2
132.08043	2.0
137.05901	3.6
138.06248	3.1
139.08716	2.9
140.07039	1.8
144.08063	2.1
145.02858	1.5
147.04402	5.6
147.07646	91.4
147.11482	2.0
149.09720	2.1
157.10060	3.6
159.09128	5.6
167.08479	1.6
170.05928	2.3
175.11180	1.9
179.09477	1.8
184.10823	2.3
189.08640	1.7
193.12267	11.9
204.13847	2.7
209.09195	6.7
211.13290	17.8
213.09109	4.1
218.97400	11.1
226.11888	10.1
236.98506	5.3
241.08655	4.0
244.12901	6.2
250.14444	12.4
255.14885	2.2
260.19714	3.3
262.13818	2.2
268.15659	3.5
272.17551	2.5
305.52567	1.7
331.18683	2.0
357.21207	2.8
374.97592	1.6
375.22687	12.0
376.13544	3.6
379.45865	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1437
Annotation	Vladinol D
Peak:m/z	Relative Intensity
52.71358	0.7
55.01875	1.6
56.05025	1.0
63.06351	0.7
65.03940	1.9
67.05492	3.0
70.06609	3.7
70.40215	2.7
73.13543	0.8
79.05499	0.8
81.03421	8.7
84.04502	1.3
84.08146	8.9
85.02912	1.2
85.97531	0.8
86.09715	5.4
88.03956	0.8
91.05517	2.5
93.03440	1.4
93.75900	0.9
94.04204	1.2
95.04980	1.6
107.04976	0.9
108.02102	1.7
109.06515	1.8
111.04452	2.2
115.05442	3.3
120.08163	1.0
122.03671	2.5
125.06007	1.4
128.06226	2.5
129.07033	8.1
129.10242	5.9
130.05067	1.0
130.06544	3.2
131.04961	1.1
136.91745	0.8
137.05981	43.3
137.09561	0.8
138.06378	0.7
141.05476	3.6
143.04971	3.7
145.06473	2.1
147.08061	1.4
149.05989	1.0
151.03917	100.0
151.05016	8.0
153.05476	2.4
157.06485	9.6
160.05226	2.9
161.05984	2.1
161.09674	1.5
163.07640	0.9
165.05522	2.4
171.04393	4.1
174.06996	1.0
175.07503	4.1
182.15367	1.0
187.07510	2.3
188.04709	1.0
189.09097	9.6
191.07033	6.8
203.07039	24.4
205.08653	3.5
209.09258	0.9
213.08893	1.0
215.07030	1.8
219.08015	1.4
221.08063	6.1
226.11853	1.7
233.08012	4.0
247.07547	1.0
249.09390	1.0
261.09189	1.7
263.07086	1.2
277.08682	1.5
279.10150	2.2
286.08365	2.0
292.07364	0.9
295.09686	2.1
306.08701	0.9
307.09671	3.8
309.11026	1.0
311.12848	1.1
321.11176	4.4
327.12241	7.8
330.16739	0.8
333.17996	0.8
339.12366	6.4
357.13254	5.7
375.14481	1.1
375.22607	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1439
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03945	1.0
55.01858	1.2
61.09497	0.5
65.03944	2.2
67.05502	2.1
69.07062	0.6
69.63651	3.4
70.06592	1.2
79.05488	0.8
81.03420	9.5
81.07061	0.9
84.04505	1.6
84.08148	4.5
85.02912	1.1
86.09702	2.0
87.10077	0.6
91.05490	1.6
93.03392	1.1
94.04193	1.2
95.04936	1.1
98.21117	1.9
103.05436	0.6
107.04962	1.6
108.02090	2.5
109.06534	1.5
111.04456	2.2
111.87347	0.5
115.05472	2.3
117.07076	0.9
122.03663	3.7
124.85406	0.5
125.06003	1.6
128.06235	2.3
129.07010	9.4
129.10243	2.6
130.06534	1.7
131.04945	1.6
137.05981	46.4
141.05473	3.1
143.04916	4.4
144.05730	0.8
145.06522	1.7
147.08054	2.0
149.05936	0.9
151.03915	100.0
151.05014	8.5
152.04251	1.3
153.05469	2.3
157.06508	9.9
160.05231	1.8
161.06004	2.4
161.09682	1.7
163.07570	0.7
165.05502	2.3
171.04428	4.5
171.86050	0.5
174.06795	1.0
175.07559	4.0
176.04727	1.3
177.05415	0.8
177.09132	0.7
187.07565	1.6
188.04726	1.1
189.09103	9.2
191.07031	7.1
191.08585	0.8
203.07033	23.5
205.08542	4.6
208.35904	0.6
215.07123	2.0
218.07507	0.7
219.08167	1.6
221.06088	1.0
221.08041	6.0
233.08057	4.0
235.07555	0.9
236.08238	0.6
239.10814	0.6
243.06522	1.1
246.06699	1.3
247.07536	1.3
261.09235	1.3
263.07010	0.8
267.10226	0.7
277.08618	1.4
279.10144	1.6
284.10538	0.9
286.08350	2.7
289.08395	1.1
293.11859	0.6
295.09775	1.6
297.11221	1.2
306.08902	0.7
307.09665	2.8
309.11325	1.0
311.12769	1.5
312.09940	0.7
321.11301	4.1
327.12228	8.0
339.12259	6.5
357.13278	5.5
375.14688	1.5
375.22668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14506	0.3
55.05498	0.4
56.05033	3.7
56.96560	1.8
57.03439	0.4
60.04522	0.6
60.05648	0.5
61.02931	0.4
67.05501	0.7
69.03416	0.5
69.07064	0.7
70.02967	0.4
70.06599	3.0
70.98095	0.5
70.99856	0.7
71.03999	0.3
71.05019	0.3
71.34491	0.4
71.34819	0.5
72.08158	0.5
81.03413	0.4
82.06575	0.6
84.04498	0.4
84.08145	100.0
85.06554	1.1
86.09709	13.8
86.10237	0.7
87.05571	0.3
88.03976	0.4
91.02490	0.4
96.08147	1.0
98.97601	0.5
101.00883	3.3
101.10780	4.3
102.09182	0.7
111.09189	0.8
112.07608	0.6
112.08740	0.6
113.00888	0.7
113.03467	1.7
115.02446	1.3
116.07089	0.6
116.98550	0.3
119.01931	8.0
119.72343	0.3
124.95260	0.3
126.98763	0.6
128.98608	0.3
129.10242	47.1
130.08670	1.3
131.01929	1.8
133.03467	3.3
137.02972	0.8
141.10251	0.4
143.01906	0.9
144.99823	3.8
145.03484	0.9
145.39076	0.3
147.01369	0.6
147.11296	1.4
149.02937	1.0
151.04585	0.4
152.14342	2.0
158.09213	0.6
158.99638	0.3
159.01422	1.0
160.06395	0.3
161.02994	1.5
163.00888	0.5
168.99857	2.1
170.04855	0.3
171.01341	0.9
172.99342	1.4
173.02919	0.7
173.12851	1.4
175.00916	0.7
175.11928	1.6
177.01070	0.4
177.02419	1.9
187.00864	3.7
189.02332	0.8
189.03792	0.5
191.00397	0.9
191.04030	0.7
193.00330	0.5
193.02020	0.4
195.03481	0.5
196.99344	0.5
197.16496	3.9
199.00838	0.8
201.02498	1.3
201.12302	0.4
203.03899	0.4
205.01906	1.4
206.06927	0.7
214.19232	0.4
215.00383	3.2
217.01968	2.5
219.03633	1.4
223.03000	0.7
224.08109	1.1
224.17667	1.8
225.15904	1.5
226.58534	0.3
227.00262	0.6
229.01961	0.9
230.99861	0.4
231.03621	0.4
233.01451	0.5
235.03094	0.5
242.18654	5.5
242.99863	0.5
245.01486	0.9
247.03027	3.3
247.12875	1.5
249.04593	0.4
254.99889	1.1
259.02954	0.6
260.19647	0.5
262.14063	1.1
265.04086	0.9
273.00766	1.6
275.02646	0.5
287.02463	0.7
299.02249	0.3
301.00363	1.2
303.01785	0.3
305.03561	0.6
315.01944	2.7
327.38879	0.3
333.02634	1.5
343.01563	1.7
357.21606	0.7
358.19693	1.9
361.02396	1.4
375.04343	0.6
375.22528	25.4
393.05222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	20.9
55.05493	57.6
57.03434	48.2
67.05499	62.5
69.03439	20.9
69.07067	73.1
70.06591	21.1
70.30633	40.4
70.31005	41.3
79.05490	100.0
81.03403	43.9
81.07064	89.6
83.08617	16.3
84.08115	40.5
91.05460	74.4
93.07037	78.3
95.04987	37.0
95.08594	42.7
97.06528	39.1
97.38781	19.7
100.11261	57.1
103.05454	27.8
105.07036	62.1
107.04951	20.2
107.08601	35.0
117.07036	21.0
119.08591	42.8
120.08120	32.2
121.10147	45.0
127.03809	20.1
131.08566	39.0
132.08859	22.2
132.22604	17.3
133.10156	43.7
135.08067	26.8
143.08559	22.7
145.10130	48.8
147.11678	19.5
149.09592	24.1
149.77136	17.6
163.03827	32.5
168.13797	18.8
168.49197	17.7
169.10252	19.8
182.15511	25.5
191.10634	23.7
202.25591	17.4
211.14705	22.0
227.12817	39.0
241.14169	21.6
248.12796	36.7
312.13022	24.3
321.20685	20.4
356.15567	26.0
374.27036	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	374.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	20.9
55.05493	57.6
57.03434	48.2
67.05499	62.5
69.03439	20.9
69.07067	73.1
70.06591	21.1
70.30633	40.4
70.31005	41.3
79.05490	100.0
81.03403	43.9
81.07064	89.6
83.08617	16.3
84.08115	40.5
91.05460	74.4
93.07037	78.3
95.04987	37.0
95.08594	42.7
97.06528	39.1
97.38781	19.7
100.11261	57.1
103.05454	27.8
105.07036	62.1
107.04951	20.2
107.08601	35.0
117.07036	21.0
119.08591	42.8
120.08120	32.2
121.10147	45.0
127.03809	20.1
131.08566	39.0
132.08859	22.2
132.22604	17.3
133.10156	43.7
135.08067	26.8
143.08559	22.7
145.10130	48.8
147.11678	19.5
149.09592	24.1
149.77136	17.6
163.03827	32.5
168.13797	18.8
168.49197	17.7
169.10252	19.8
182.15511	25.5
191.10634	23.7
202.25591	17.4
211.14705	22.0
227.12817	39.0
241.14169	21.6
248.12796	36.7
312.13022	24.3
321.20685	20.4
356.15567	26.0
374.27036	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	374.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64891	0.4
53.03954	0.6
55.01883	0.5
56.89673	0.4
57.03433	1.3
61.02929	1.3
69.03425	3.5
69.07058	1.3
70.06590	3.4
70.28290	1.9
71.06112	0.6
72.08145	0.5
79.05470	0.6
81.03410	3.1
81.07048	0.6
83.06099	1.2
84.04486	3.8
84.08139	2.2
85.02911	9.4
85.04829	0.5
86.09709	10.5
87.00829	1.6
87.10027	0.7
89.95926	0.4
91.03975	0.7
91.05482	11.0
94.04187	1.0
95.04956	0.7
96.04512	0.4
97.02888	6.7
98.21024	0.9
99.04458	1.4
99.05589	3.0
100.05885	0.7
102.05534	1.6
105.01858	1.3
109.02885	1.4
110.09687	0.5
116.07088	3.2
117.07513	0.7
119.04966	0.6
120.08141	0.7
122.03643	2.3
123.04403	0.9
127.03917	4.7
129.06639	1.3
129.10196	0.7
129.91325	0.4
132.01215	0.4
132.08090	1.1
132.10214	4.0
133.08435	1.0
137.05980	100.0
137.98845	0.5
138.06323	1.8
145.04968	4.6
145.10268	0.5
147.04308	0.5
158.38461	0.4
159.09204	1.0
160.09555	0.6
166.12309	0.8
171.06390	0.6
173.84499	0.4
187.08655	1.5
188.09003	1.5
193.76384	0.4
195.10133	3.6
197.12883	1.8
197.14636	0.7
201.05440	1.2
202.05867	2.0
215.13875	3.7
215.15529	0.4
218.97426	0.9
230.12926	0.5
231.04987	1.9
231.13188	0.8
243.09010	0.4
243.13350	0.6
249.05931	0.5
259.12836	1.4
326.11084	0.8
328.23596	0.5
356.23636	0.6
358.33060	0.4
374.19556	2.6
375.13080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.0
56.05035	2.8
58.99587	2.4
68.05010	2.7
69.03455	2.0
69.07051	3.4
70.06598	13.7
70.93156	5.5
72.08170	10.1
81.03403	3.5
81.07056	2.5
84.04504	11.9
84.08138	15.1
85.02898	5.0
86.09697	18.9
86.99042	2.6
87.02688	3.0
87.10009	2.2
88.03942	1.9
89.03897	5.9
91.05499	4.0
95.04978	3.8
96.08126	5.5
102.05566	2.1
102.72285	1.9
105.07032	3.3
110.07153	3.8
116.07049	2.2
117.03391	19.1
119.04974	2.6
120.08072	10.7
124.07562	2.8
126.49476	1.9
129.10237	10.0
130.05013	3.4
132.10245	3.1
137.05946	2.6
145.02834	43.9
147.04364	2.7
149.05946	8.9
154.06711	2.3
158.48273	2.1
159.04718	3.9
162.07559	2.2
163.03859	4.5
165.10236	2.4
177.05470	100.0
179.08220	2.5
193.12152	2.7
195.06526	39.1
197.09093	3.3
198.29520	1.7
200.07277	3.4
201.05482	2.6
202.05821	4.3
208.09544	2.0
211.09023	5.0
212.12767	2.3
218.97360	2.3
239.08513	3.9
255.07993	3.0
256.08920	1.9
257.09564	23.2
269.09805	2.6
292.62122	1.8
293.09439	3.5
301.08560	8.5
315.09924	5.0
339.10306	12.6
357.11200	25.9
374.17804	8.9
375.12186	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	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43736	0.8
53.03946	1.1
54.34695	0.8
55.05496	0.9
56.05042	1.7
57.03431	1.7
61.02919	2.4
69.03433	3.4
69.57375	5.6
70.06590	7.1
71.05003	1.3
71.84046	0.8
72.08157	3.0
72.93201	0.8
74.59335	0.8
79.05483	1.3
81.03413	3.9
82.06573	3.1
83.01324	0.9
84.04503	3.0
84.08154	5.9
85.02910	12.9
86.09706	4.8
89.03925	5.5
90.53670	0.8
91.05500	1.2
95.04979	1.1
97.02901	3.5
98.20703	1.0
98.21278	3.0
99.04483	1.1
104.05348	1.3
109.02872	1.1
110.07146	0.9
116.07092	1.3
117.03390	16.5
127.03941	2.9
129.10248	4.0
130.05054	1.5
134.03674	1.5
135.04442	1.2
145.02855	37.7
145.04973	4.0
149.05974	6.6
150.05824	1.2
163.03905	3.1
167.15453	1.6
177.05482	100.0
178.05818	1.2
180.08694	1.5
180.50552	0.8
195.06540	42.8
195.14944	8.2
202.05788	1.1
212.06883	3.0
223.14297	1.7
232.91214	0.8
326.11432	1.0
328.21313	2.3
374.11987	3.5
383.53262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97884	0.8
53.03939	3.1
55.01870	1.7
57.03421	2.7
61.02925	2.2
65.03935	1.9
68.99771	1.4
69.03432	14.3
71.03416	2.2
71.03751	1.5
71.04984	1.6
73.02913	3.2
81.03414	10.4
84.04490	2.5
85.02905	42.6
86.09695	6.4
87.00828	18.5
91.05480	100.0
97.02886	14.5
98.20953	1.1
99.04457	6.4
102.05494	1.5
103.03963	1.0
105.01867	31.0
108.04497	2.9
109.02885	13.8
115.03902	1.7
117.01859	1.4
127.03922	33.6
129.01817	1.9
132.10202	2.0
133.06490	1.4
145.04962	16.4
145.06488	1.9
147.02856	1.2
151.03893	1.7
159.02908	8.0
171.08008	1.3
175.07550	2.7
177.04056	1.0
189.03952	2.1
197.12813	1.1
199.07545	2.1
213.03917	1.0
215.13976	1.8
229.33815	1.0
231.05026	9.3
243.13406	1.1
249.06085	2.5
321.10239	1.2
397.13513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33301	1.2
55.05499	1.6
56.05036	1.6
57.12987	1.0
60.04517	1.2
65.03941	1.3
70.06596	7.0
71.41134	2.3
72.08156	10.2
73.08450	1.3
73.68468	1.1
76.25258	1.2
81.03419	3.2
84.04502	2.8
84.05634	1.4
84.08142	11.5
85.02898	4.2
86.09714	12.6
88.03995	1.8
91.05484	15.2
97.73418	1.2
110.07157	1.7
117.03445	1.8
119.04950	29.7
127.03934	3.8
129.10237	7.0
137.06006	1.3
145.02849	5.8
147.04424	100.0
157.04417	1.1
165.09183	1.9
177.05487	18.0
195.06543	8.1
199.18108	1.4
218.97350	2.1
226.11920	1.6
228.55193	1.2
250.08676	1.3
263.36526	1.3
384.61053	1.2
384.66168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
56.05024	2.9
61.91087	0.7
64.43240	0.6
67.05493	0.9
69.03426	0.8
69.07059	2.9
70.06585	5.1
70.72310	1.5
70.72638	0.8
72.08160	5.4
80.53116	0.7
83.06107	35.2
84.04507	40.6
84.08149	2.5
86.09708	100.0
95.01970	0.7
95.04980	0.8
96.04504	2.7
96.65137	0.7
99.05582	5.3
101.07138	7.1
105.07023	1.0
107.04929	0.7
109.10160	1.5
113.07132	2.4
116.07099	5.6
119.04945	0.7
120.08058	0.8
129.06607	11.0
129.10234	3.7
130.05005	1.0
130.06552	1.5
132.08105	3.7
132.10211	38.4
137.06102	1.1
139.00090	0.7
141.06624	5.5
143.11816	2.0
145.02872	0.8
151.03947	2.4
152.10725	4.3
155.08247	0.7
157.09705	0.9
158.08446	1.1
159.09183	3.7
169.07692	1.2
169.13437	3.1
171.11252	0.9
177.05521	2.3
187.08690	4.4
196.14455	32.2
197.12868	21.2
201.05405	4.2
214.15515	14.8
215.13924	1.0
217.15492	2.3
219.06630	1.0
223.27798	0.7
224.13922	11.1
225.12315	5.4
225.16052	1.1
230.12947	2.6
242.15031	9.7
245.18687	1.4
258.12500	2.5
304.15298	0.7
325.10809	1.3
338.20999	1.1
343.11813	1.3
355.23407	23.7
356.21646	1.2
373.14221	1.0
373.18729	2.8
373.24875	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2219
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
51.74974	5.5
55.05513	7.2
67.05505	17.7
69.07069	11.3
70.03847	21.9
71.04987	7.4
74.07903	6.1
74.60275	5.5
81.07055	13.7
83.04974	10.0
85.02910	6.9
90.51125	5.5
93.07009	6.8
95.08641	27.3
98.20800	7.5
107.08633	16.3
109.06504	10.1
109.10167	97.1
119.08548	35.4
121.10150	12.0
123.08075	13.1
123.11795	5.3
133.10165	21.5
135.11716	100.0
137.09644	13.1
151.11267	5.7
151.14874	9.2
175.14841	46.3
193.15871	68.1
200.44646	5.9
211.16928	44.5
277.10809	5.1
373.21329	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	372.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	61.4
61.77600	40.8
63.65294	36.0
67.05502	85.0
70.41113	86.8
70.41477	82.7
70.61343	39.0
79.05466	60.6
81.07035	65.3
83.71832	38.2
84.08167	52.6
86.06061	89.6
86.61485	44.2
93.07041	90.6
95.04979	42.0
95.08588	49.7
105.07022	100.0
119.08591	65.8
129.06984	52.3
132.79539	37.8
223.49153	54.5
225.41196	43.5
238.36336	43.3
250.09380	81.2
256.19290	57.3
272.19888	72.5
311.18301	45.4
372.25311	97.8
373.19098	48.5
377.16824	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99733	1.6
56.05032	3.0
57.55747	1.8
67.05505	3.6
69.03427	2.9
69.07078	6.3
70.06593	66.8
71.06115	16.7
71.57855	2.0
71.58528	1.9
72.08152	2.4
79.05474	2.0
80.68409	1.5
81.03412	2.1
81.07059	4.0
83.06100	25.3
84.04507	35.7
84.08153	9.7
85.02901	3.8
86.09710	65.4
86.10235	3.1
91.05482	13.2
95.04977	2.8
95.08614	2.2
96.04503	2.3
97.02912	2.9
99.05582	100.0
101.07133	4.2
101.32079	1.9
105.07021	3.7
107.08588	4.6
109.06507	1.8
109.10178	2.5
112.05111	3.5
113.07150	3.2
115.05440	3.5
116.07095	95.8
117.05778	2.2
117.06947	1.8
118.06495	2.4
119.04961	4.5
122.03641	1.9
127.03953	4.7
129.06598	15.0
129.10257	3.9
130.05013	4.0
130.06541	15.8
132.08099	68.1
132.10193	26.0
135.04428	1.7
137.05974	44.8
137.09613	2.3
141.06612	1.9
142.06525	2.1
144.08046	3.5
145.04947	3.2
145.06534	2.2
147.04404	6.1
151.03851	2.0
152.10716	2.3
158.03635	3.2
158.08417	17.5
159.09180	53.5
160.05261	2.0
161.06049	2.1
163.11099	2.5
166.83264	1.6
168.06818	2.0
168.08052	9.1
169.07530	18.2
169.08818	3.7
169.13403	2.8
170.06021	18.5
171.11360	1.9
173.06000	7.0
177.05568	2.1
181.12151	2.3
185.10712	9.7
186.03148	1.8
187.08667	84.2
196.14442	21.9
197.12860	14.1
201.05484	33.4
205.06534	3.6
213.10249	6.7
214.15575	9.3
219.06561	5.0
222.06734	2.2
224.13896	8.2
225.12428	4.0
227.12807	3.5
230.12881	54.1
233.05978	2.2
242.15044	6.1
250.06480	4.1
258.12381	66.4
265.08600	3.2
277.08383	2.0
285.12607	1.7
293.08017	4.6
297.11533	2.0
305.08105	1.7
307.09756	4.9
325.10632	11.5
355.11917	2.8
355.23297	14.4
373.18161	5.4
374.19669	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30809	6.5
55.05505	29.6
57.07059	6.9
67.05504	40.2
69.07076	17.6
71.57205	11.1
79.05499	28.6
81.07071	48.0
83.05006	9.5
88.08467	6.4
88.76768	6.0
91.05483	31.1
93.07056	100.0
95.04989	10.3
95.08611	63.0
97.02907	7.0
97.06526	21.2
98.21046	8.5
101.06010	15.8
103.05519	8.3
105.07034	78.4
105.99909	6.4
107.08605	41.2
109.10172	27.9
117.07063	17.0
119.08582	72.1
121.06527	8.0
121.10178	42.0
123.08096	11.5
123.11725	9.2
123.52737	7.1
128.06267	8.5
129.05534	12.1
130.06560	15.8
131.08609	27.2
133.10138	38.8
135.08092	11.8
135.11708	20.2
139.07549	58.8
142.07869	12.9
143.08546	21.8
145.10172	39.4
147.06554	10.6
147.11690	21.1
157.10075	33.6
159.11746	33.9
169.10185	14.4
171.11754	16.0
173.13174	15.0
175.14830	13.4
183.11719	9.1
187.14833	15.2
195.11684	12.6
199.14844	8.9
209.13197	8.5
222.42026	6.9
225.16595	8.2
265.19540	9.8
268.26337	14.6
371.25830	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19516	4.8
51.94088	9.2
53.03954	6.3
55.01876	12.0
55.05508	42.2
57.03441	9.0
57.07084	22.4
59.05009	5.6
66.70567	4.2
67.05508	16.6
69.03440	27.9
69.07071	45.2
70.06597	43.0
71.08632	7.2
71.58674	5.6
72.08149	17.4
79.05491	26.8
81.03419	9.0
81.04551	7.2
81.07063	100.0
83.04990	36.2
83.08624	76.4
84.04507	21.9
84.08155	35.2
85.02906	36.5
85.06532	7.3
86.09708	26.5
91.05805	20.1
93.07054	43.6
95.04975	16.4
95.06087	4.7
95.08600	24.4
97.02886	9.1
97.06536	11.3
99.04479	7.8
100.11269	10.9
101.06056	11.6
104.56308	4.4
105.07043	13.3
107.08588	44.4
107.63763	4.8
107.83558	4.3
109.02866	8.2
109.06525	56.5
109.10154	43.7
110.07158	5.6
111.04450	21.6
111.08094	20.9
112.02154	4.5
112.07632	6.1
113.97299	4.7
119.08582	13.5
120.08139	7.8
121.06545	8.5
121.10127	40.8
123.08096	8.5
123.11718	25.5
125.05974	5.3
125.09615	7.9
125.13281	12.3
127.03952	23.6
127.07589	8.4
128.07071	7.0
129.05455	14.2
129.10254	19.3
130.04991	15.3
133.10126	15.0
135.08061	9.1
135.11713	9.1
136.06175	5.7
136.07695	5.0
147.06541	10.5
147.11638	10.5
149.09595	5.7
149.13286	54.3
151.03978	5.2
153.09131	14.0
163.03894	6.2
163.14828	13.8
167.14311	72.8
171.10245	6.3
173.13231	9.6
182.15437	15.7
191.14337	20.1
195.11591	4.7
209.15379	32.2
210.14911	22.8
285.00867	6.8
337.21210	10.5
353.19919	7.2
355.07114	7.7
371.11551	9.4
371.16846	6.2
371.22083	26.0
384.64154	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	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
55.01867	8.5
55.05514	8.5
55.31884	3.3
56.84885	3.2
57.03433	5.2
67.05502	9.4
69.03406	9.5
69.07053	17.1
70.06603	5.2
70.87898	12.3
71.04999	4.9
79.05486	13.8
81.03403	4.3
81.07074	8.4
83.04982	8.1
83.08630	3.8
84.08141	7.2
85.02896	12.2
85.76874	3.5
91.05431	5.8
93.07047	26.4
95.08591	13.1
97.02921	5.4
97.06512	6.8
101.06016	5.1
104.87196	3.7
105.07031	10.4
107.08601	19.4
109.02880	4.0
111.04447	7.4
111.08051	4.0
115.38790	3.6
119.08602	5.3
121.06509	23.9
121.10133	11.7
123.08134	5.4
127.03912	5.8
129.05463	7.4
133.10135	9.7
135.08029	6.2
135.11703	13.7
137.09584	4.8
142.93080	4.0
145.10109	7.0
147.11696	34.4
149.09633	7.4
149.13312	7.2
161.09627	5.3
163.11197	12.8
173.13232	11.9
184.54984	4.1
191.10701	4.6
191.14310	100.0
227.12775	22.4
230.15694	4.2
371.20346	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.7
55.01858	4.1
55.05511	36.0
56.05017	3.9
57.03435	8.9
57.07087	21.1
59.05002	6.1
67.05499	19.3
69.03448	26.5
69.07074	34.8
69.97483	16.0
70.06596	26.2
71.01353	4.7
71.04975	6.7
72.08144	11.3
79.05498	31.8
81.03417	12.0
81.04548	7.5
81.07061	100.0
83.04996	25.3
83.08622	66.8
83.38869	3.3
84.04511	11.2
84.08149	29.0
85.02900	25.6
85.06549	9.5
86.09717	18.8
91.05420	7.3
93.07059	39.9
95.04958	14.9
95.06080	7.3
95.08606	22.7
97.02927	8.7
97.06532	11.6
97.10184	4.8
98.20965	9.2
98.21548	4.3
99.04453	7.5
100.11246	4.7
101.05968	4.4
105.07011	10.5
107.04965	4.4
107.08601	39.1
109.02863	7.9
109.06517	55.6
109.10156	49.3
111.04444	11.0
111.08121	22.7
116.07029	3.9
119.08591	10.8
121.06480	5.9
121.10135	35.1
123.11694	24.6
123.47147	3.7
125.07118	10.4
125.09563	6.4
125.13259	14.3
127.03935	21.1
129.05461	5.5
129.10226	6.7
131.08568	4.1
133.10129	12.4
135.08072	11.3
135.11662	5.6
136.06142	4.2
137.05902	5.6
137.09579	4.4
137.93846	4.0
139.07561	4.5
143.08202	4.4
145.10147	6.1
147.11629	7.5
149.09612	4.4
149.13264	54.6
151.11230	5.7
153.09102	10.6
163.07542	4.3
163.14839	6.4
167.14313	70.3
169.12199	4.2
171.10175	9.0
173.13220	11.9
182.15382	4.1
191.14337	25.7
209.15396	37.4
210.14952	9.7
225.14853	6.6
227.46468	3.6
228.15941	5.9
284.29190	3.6
285.01181	4.5
335.18796	4.6
337.20850	4.2
340.17426	5.9
371.16675	16.1
371.21722	39.4
386.88019	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43758	5.8
61.66750	6.0
69.03419	7.1
70.06585	7.2
70.35686	5.0
70.71329	16.1
81.07040	7.9
84.04458	5.6
85.02910	7.5
86.86352	5.7
88.01977	5.3
98.21138	10.5
107.08582	18.2
109.06504	9.3
120.08101	13.3
120.64817	5.7
121.08485	5.9
121.10157	11.8
126.24040	5.8
127.22748	5.3
130.04982	8.7
133.09215	10.0
133.10132	100.0
134.06003	10.6
135.08054	19.3
137.09631	55.7
149.13216	11.8
155.32498	5.6
191.14227	27.8
194.08221	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	371.2064
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.88340	2.8
55.01852	3.4
55.05497	3.3
61.02928	3.8
62.27067	3.0
63.01299	2.8
69.03418	14.2
69.33736	2.8
69.44647	3.3
70.06570	4.4
70.42504	3.3
70.71943	5.3
70.72289	7.3
81.03403	6.7
81.07057	5.6
81.76761	3.2
85.02896	27.5
93.07066	4.8
95.04944	4.2
95.08600	8.7
97.02889	9.1
107.08599	10.9
109.06513	4.9
120.08086	10.2
121.08413	4.2
121.10123	11.5
123.08049	4.2
123.11642	3.7
127.03930	8.4
133.10133	5.3
135.07954	4.9
137.09576	11.8
145.04930	4.6
148.16225	3.0
149.09624	8.2
149.13249	4.9
151.11200	20.0
165.12753	50.2
173.13193	3.1
191.14273	19.0
209.15353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	16.6
69.07056	14.5
70.14146	53.9
74.55795	12.8
81.07039	18.5
83.04995	25.2
85.02888	20.6
95.04968	25.0
95.08595	22.4
95.62869	12.5
98.20836	28.1
98.21369	16.1
100.11342	16.1
107.08578	55.6
109.06516	14.7
109.10156	26.4
121.10143	64.4
135.08052	21.3
147.11627	15.9
148.88194	12.2
149.09630	16.0
149.13260	32.8
151.11203	100.0
158.79031	13.1
163.14877	17.6
173.13284	28.5
191.14349	74.7
209.15401	70.9
214.43738	13.2
293.64380	12.9
371.26346	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	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01877	6.7
55.05508	9.5
56.45384	3.8
57.03434	8.2
57.07083	5.4
59.04985	5.2
60.91819	3.5
64.32008	3.6
67.05499	11.2
69.03432	14.1
69.07063	14.4
70.06585	10.1
71.04976	8.8
72.08138	3.3
79.05495	23.7
81.03404	10.7
81.07066	21.6
83.04958	7.4
84.04517	7.8
84.08135	8.4
85.02911	9.9
86.09690	4.5
88.02148	3.7
91.05480	12.0
93.07032	23.1
95.04955	14.7
95.08619	13.7
97.02899	18.9
97.06551	6.6
98.20679	6.0
98.21361	23.3
99.04468	5.2
101.05982	5.6
103.05479	8.1
103.29715	3.8
105.07044	22.5
107.04979	19.9
107.08596	23.8
109.02864	9.0
109.06528	9.7
109.10146	11.4
111.04456	6.0
111.08078	4.7
115.05466	6.5
116.04793	3.9
117.06998	6.1
119.05016	5.0
119.08595	11.3
121.06525	17.3
121.10131	8.4
122.03660	5.1
123.04449	5.5
123.08032	3.8
127.03917	9.1
128.06224	4.0
129.05478	6.2
129.07007	5.5
130.05034	6.6
131.04930	7.8
131.08557	18.9
132.05704	5.4
133.10149	5.8
134.09666	3.7
135.08032	6.5
135.11717	5.3
136.06216	6.2
137.05972	100.0
137.09641	12.3
139.07423	4.3
139.11176	6.1
141.06967	7.4
144.05692	9.2
145.06435	7.6
145.10103	8.6
147.06570	8.6
147.07962	6.8
147.11699	11.2
149.05855	4.3
149.09621	12.0
151.07590	6.3
153.05557	4.7
156.05701	19.4
157.06551	7.4
159.08055	21.1
160.05122	6.8
163.07520	5.6
163.11217	18.8
165.09109	4.3
167.07031	37.3
167.10725	3.8
172.05415	3.6
173.05954	4.4
173.09656	5.0
174.06822	8.9
175.07539	12.7
177.05473	6.8
187.07587	22.8
189.06920	4.3
189.09042	6.8
190.07825	6.6
191.06966	5.0
191.10657	11.4
191.14291	41.1
192.07819	12.1
193.10107	4.5
195.06548	5.2
195.08070	5.2
202.06218	7.1
202.07904	3.8
203.08548	9.0
205.06738	3.7
206.07307	9.5
207.08182	4.3
209.15376	10.5
210.06824	5.3
211.07498	6.1
215.06880	6.5
217.04999	3.6
217.08582	72.0
218.07285	16.8
219.08046	6.9
219.10182	7.6
221.09761	7.3
223.07414	5.0
224.04703	5.8
226.06184	6.2
229.08719	5.4
231.07965	8.9
232.08833	7.3
233.09650	16.9
234.06744	12.2
235.07542	9.9
239.06985	18.7
241.08577	16.8
242.05667	7.0
246.06723	4.4
247.07504	6.0
247.09688	22.1
248.08366	6.5
249.09015	16.9
250.06175	4.8
251.07121	7.5
252.07841	6.6
257.08130	5.6
261.09021	19.4
261.14941	4.3
263.07050	15.1
263.10492	5.4
265.08588	5.2
269.07971	4.8
271.06152	5.3
277.08511	24.7
278.09363	12.4
279.06512	8.6
279.09918	4.3
280.07236	8.4
281.11664	8.2
283.09778	6.4
285.00934	7.4
285.07581	51.3
286.08383	6.5
289.08658	4.4
291.06802	5.0
291.10074	5.6
293.08414	6.8
293.11743	22.9
294.08862	4.5
295.09659	7.0
300.09900	48.5
301.10651	14.7
306.08887	8.3
309.11182	22.1
311.09760	4.8
313.10760	15.7
321.11182	32.3
322.11984	4.1
326.11407	18.7
330.12701	4.6
338.11346	6.2
341.13831	16.4
353.09918	4.5
353.13867	59.3
371.15668	28.9
371.20087	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	370.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25662	1.3
56.96566	3.3
69.07069	11.1
70.06563	1.2
71.56610	2.0
82.06584	1.5
86.09708	100.0
87.10030	1.5
98.20958	1.3
98.97533	1.5
104.06761	1.4
110.07152	1.9
113.03487	1.4
119.82201	1.4
123.43203	1.2
132.10210	54.6
135.92448	1.3
183.80594	1.3
186.09882	1.2
215.50159	1.4
242.03282	1.5
313.14597	4.4
313.64536	1.5
322.15396	1.9
377.42636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	12.8
61.94896	5.7
67.05503	13.2
69.07082	13.4
71.08626	23.5
79.05487	12.6
81.07058	19.4
83.08640	5.7
91.05460	7.3
93.07054	14.8
95.05026	7.9
95.08619	20.0
99.08070	7.5
100.49894	5.3
105.07040	13.4
107.08591	14.0
109.06562	14.8
121.06494	8.8
121.10135	9.9
125.14171	5.0
131.08528	7.0
133.10228	8.2
161.39899	5.2
165.12755	39.4
181.15901	10.7
289.21603	45.6
290.21997	14.8
307.22684	100.0
308.22983	10.4
352.25653	13.4
370.24634	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	369.2636
Annotation	Cortol
Peak:m/z	Relative Intensity
53.03945	2.7
55.01865	2.2
55.05512	13.7
57.03421	2.0
57.07068	4.5
67.05501	21.7
67.09486	1.2
69.03436	7.8
69.07066	11.2
70.98742	3.0
71.04992	3.4
71.08629	15.5
74.09711	1.5
79.05489	17.8
81.03398	1.8
81.07062	29.3
83.04986	3.7
83.08627	4.1
85.06551	4.2
91.05486	15.7
93.07048	23.8
95.04978	8.2
95.08617	14.7
96.05756	3.8
97.02890	16.7
97.06004	1.5
97.06517	8.4
99.08092	9.1
105.07014	13.6
107.08598	12.7
109.06532	7.7
109.10140	6.1
111.04443	19.8
111.08080	1.8
113.06020	4.4
117.07005	1.5
119.08571	5.0
121.06505	16.0
121.10137	18.5
123.04411	4.3
123.08097	2.5
123.11729	3.5
124.05223	4.6
125.06019	1.9
125.99149	1.2
129.07042	3.0
131.08572	19.3
133.10141	6.1
135.08044	5.9
135.11687	3.7
137.09627	2.0
139.11191	3.2
143.08568	3.2
145.10086	2.7
147.11742	3.8
149.09636	14.3
149.13269	2.4
151.11215	2.9
153.12729	1.3
161.09648	2.2
161.13316	1.4
163.11267	2.4
165.12772	7.7
167.10701	3.4
171.11736	1.4
173.13319	1.8
175.14816	1.3
177.12755	1.5
180.11429	1.4
181.12236	100.0
185.13350	1.4
191.14359	3.8
207.17433	2.6
230.48360	1.3
235.17033	3.2
277.22025	1.4
299.11087	1.4
305.24747	2.9
333.24255	14.8
335.25818	4.9
351.25302	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	369.2639
Annotation	Cortol
Peak:m/z	Relative Intensity
53.52520	3.7
55.01859	9.9
55.05516	37.5
57.03436	25.8
57.07067	10.2
57.12621	3.6
64.24305	4.0
65.94141	4.1
67.05505	100.0
69.03417	7.0
69.07077	25.2
69.82567	25.0
71.04997	5.0
77.67851	4.6
79.05496	59.1
81.03406	6.9
81.07060	73.2
83.04982	8.2
83.08610	17.0
85.06532	9.8
91.05488	35.5
93.07040	67.3
95.04967	12.3
95.08616	53.1
97.06549	8.0
97.10159	18.5
98.20818	6.4
98.21369	7.8
99.08088	9.1
105.07016	35.4
107.08595	63.1
109.06540	9.5
109.10159	59.7
117.07014	14.0
119.08563	28.7
121.10151	41.1
123.08061	8.7
123.11730	10.8
125.09622	24.3
129.06943	7.8
131.08536	22.8
133.10126	33.3
135.08089	7.2
135.11719	33.4
143.08572	10.6
145.10130	19.7
147.11659	19.6
149.02344	5.1
149.13281	16.0
151.11145	7.5
152.58286	4.3
159.11690	13.6
161.13252	15.5
163.11166	7.2
163.14841	5.8
171.11661	7.1
173.13234	7.6
175.14799	13.0
185.13252	5.1
187.14821	18.6
189.11279	21.8
193.04887	5.7
195.46887	5.3
199.14781	5.3
205.15887	14.0
227.12840	7.0
241.19380	7.0
259.20547	31.3
277.21640	64.1
329.36581	4.1
344.61383	4.7
351.25281	41.9
369.28809	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46826	5.4
55.01862	6.2
55.05502	25.0
57.03433	48.2
57.07064	7.8
67.05505	75.8
69.07079	27.8
70.77363	6.0
70.77691	10.5
71.04980	10.2
79.05488	74.9
81.07051	100.0
83.04998	7.4
83.08604	18.5
85.06524	5.5
86.59625	4.3
91.04953	8.4
91.05473	74.8
92.05818	6.6
93.07037	85.2
95.04955	18.2
95.08601	85.3
97.06504	14.6
98.20586	4.8
98.21230	9.0
99.08073	7.8
105.07021	48.5
107.08596	68.6
109.06522	11.3
109.10133	36.3
111.08082	11.0
113.09602	6.0
117.06998	20.3
119.08582	33.8
121.10132	53.2
123.08029	13.3
123.11710	6.1
125.09563	7.2
131.07033	11.1
131.08568	31.3
133.10153	30.8
135.08130	7.1
135.11700	23.7
137.09602	13.4
145.10129	30.9
147.11685	33.1
149.09593	8.5
149.13248	14.5
157.10081	11.1
159.11711	17.0
161.13275	12.1
163.14806	5.6
171.11685	10.9
173.13223	11.0
175.14838	6.6
185.13232	8.8
187.14874	29.9
205.15872	16.8
221.18994	9.4
226.08929	5.0
241.19482	16.2
259.20660	27.0
277.21613	54.7
295.22519	5.7
351.25336	44.0
369.26559	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	369.2424
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
52.21844	7.2
53.34584	7.9
55.01849	7.4
55.05500	26.8
57.07062	17.2
65.03931	10.7
67.05486	36.2
69.07050	20.6
69.69633	17.0
69.70038	36.4
71.31847	7.3
79.05480	28.7
81.07057	40.0
83.04964	12.9
83.08599	10.2
84.08337	7.4
85.06544	12.1
91.05476	40.8
93.07036	72.7
95.04958	23.1
95.08607	76.5
98.21330	20.3
99.04478	12.0
105.07035	54.6
107.04970	8.9
107.08588	66.6
109.06512	17.8
109.10163	48.1
111.08073	35.1
114.20494	8.0
115.08657	8.5
117.07018	20.0
119.08585	100.0
121.10131	49.8
123.08057	11.2
123.11672	21.7
128.06226	14.5
130.05003	10.2
131.08565	49.2
133.10135	74.1
135.08054	32.5
135.11679	19.7
137.05984	89.6
143.08553	34.5
144.09303	10.0
145.10129	69.7
147.07990	26.6
147.11646	25.7
149.09604	29.7
153.06958	8.2
155.08565	14.5
156.09338	9.5
157.10138	51.3
158.10927	16.8
159.08055	20.8
159.11716	53.4
161.09660	15.0
161.13263	10.0
163.07613	14.8
167.08580	13.0
169.10144	23.8
170.10831	10.4
171.11682	35.0
173.13243	36.1
175.14827	28.6
177.09146	15.7
179.08478	14.0
181.10172	10.5
183.11658	27.0
185.09659	10.2
185.13283	18.2
187.11179	9.0
187.14775	30.8
191.14388	14.5
193.10141	16.9
194.11000	11.5
195.11649	11.8
197.13226	24.6
199.11147	10.0
199.14789	18.8
205.15926	11.2
209.13199	13.3
211.11337	9.4
211.14833	14.7
217.15952	9.7
219.13690	10.5
221.13266	9.9
223.14767	11.6
224.15456	10.9
225.16209	10.3
229.12224	12.9
231.17592	8.5
233.13231	11.0
233.15379	22.5
235.14851	10.2
237.16255	13.6
251.30711	7.9
257.15350	13.9
265.19458	17.8
271.16833	10.6
283.20422	9.4
285.18732	11.1
297.22421	9.3
351.23096	35.4
369.24185	94.1
369.42621	15.5
388.30225	10.1
394.72162	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	369.2426
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
50.07483	8.4
53.96427	8.1
55.05518	18.8
57.07066	12.0
61.50567	7.7
67.05508	39.2
69.07073	18.1
71.04980	17.1
71.58108	10.5
79.05499	31.2
81.07066	39.2
85.06539	21.0
91.05495	47.8
93.07037	35.4
95.04970	73.6
95.08612	42.6
105.07032	54.7
107.08584	45.0
109.06556	9.9
109.10156	24.9
117.07014	24.0
119.08578	34.1
121.10149	27.2
123.08039	9.0
129.07050	16.7
131.08565	42.9
133.10124	38.5
135.08017	23.6
137.05905	11.3
137.09616	22.4
142.07733	10.0
143.08536	21.9
145.10109	36.2
147.11697	15.6
149.09604	21.4
149.13341	8.2
151.00587	7.1
155.08594	14.1
156.09340	13.6
157.10100	29.5
159.08041	14.0
159.11700	19.8
161.06006	9.5
161.09653	28.4
163.11125	8.6
167.08537	9.6
169.10100	21.1
170.52783	9.9
171.11723	22.8
173.09660	16.4
173.13255	15.4
180.09291	9.1
181.10103	12.5
183.11690	27.8
185.13239	20.0
185.81450	8.2
189.12691	8.9
193.10201	13.6
195.11705	17.1
197.13344	24.6
203.14297	17.8
207.11784	18.6
207.13692	16.8
208.01701	7.8
209.13245	19.8
211.14777	16.5
213.12743	10.7
219.11819	11.6
251.17963	9.4
293.19122	13.7
351.23242	32.5
369.24377	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
55.13391	0.5
57.03438	7.2
57.87667	0.4
61.02924	1.1
65.03941	1.6
69.03426	2.8
70.06586	2.2
71.01357	7.9
72.08173	1.2
73.02548	0.7
73.02921	8.4
75.04482	1.2
81.03436	1.0
83.01330	0.6
83.05003	0.7
84.04508	0.8
84.08147	1.0
85.02906	18.3
86.09708	1.6
90.01813	0.6
91.05483	100.0
92.05817	1.2
95.01331	4.4
97.02905	6.1
99.00817	1.9
99.04462	1.5
101.02385	1.9
103.03949	2.5
105.07038	0.7
110.07177	1.0
113.02368	7.1
118.16496	0.5
119.08596	1.0
120.08134	2.2
123.00851	0.7
129.10219	0.9
130.01604	0.5
130.05048	1.0
130.06599	0.6
131.03386	5.0
137.05991	4.9
141.01811	9.3
145.02870	1.2
145.04970	1.1
159.02908	3.2
159.06526	1.1
163.03899	1.0
169.04985	1.5
171.08015	0.6
177.05472	1.2
187.06073	1.1
190.14256	0.5
192.13889	1.0
193.08611	20.2
197.04506	1.3
199.07573	0.5
207.13824	0.6
215.05511	2.6
217.08629	0.9
233.06540	1.1
235.09605	3.8
252.98074	0.9
270.99081	0.5
277.10703	0.6
333.09525	0.6
341.06534	0.7
351.08353	0.5
369.11902	1.5
369.18088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1115
Annotation	Indolylmethyl-desulfoglucosinolate
Peak:m/z	Relative Intensity
69.03426	2.4
69.83376	1.2
69.94497	6.8
70.06580	1.9
71.99095	6.6
85.02911	9.5
91.05490	3.6
97.02900	2.8
103.05466	2.3
117.05746	5.1
127.44824	1.2
130.06531	100.0
131.06943	1.2
141.45706	1.6
144.08069	4.5
145.02922	1.4
149.02954	1.6
155.05946	1.7
156.06834	4.5
162.03743	9.3
163.03915	2.8
172.07607	3.4
173.02916	9.8
174.03752	20.0
189.04843	1.6
190.05602	4.5
207.05881	53.3
249.06955	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01845	0.6
55.05517	24.1
57.03422	0.6
57.07080	4.9
60.08171	3.5
62.49270	0.4
65.03941	0.5
67.05510	9.8
69.07076	28.9
69.40804	0.9
69.41216	2.8
71.04956	1.2
71.08646	2.3
73.02909	2.2
79.05492	3.3
81.07062	11.8
83.04948	0.7
83.08153	0.9
83.08627	16.9
83.57739	0.4
84.66865	0.5
85.10128	0.6
86.09711	1.1
91.05489	11.8
93.07056	4.8
95.08620	10.4
97.06512	1.6
97.10180	8.2
98.21112	2.2
99.04460	4.0
105.07055	1.0
106.06534	1.1
107.08636	2.7
108.08163	2.1
109.10175	4.8
111.11720	1.6
119.08562	1.5
121.10187	3.0
123.08039	0.8
123.11703	1.9
133.10110	1.2
135.11678	2.0
138.30919	0.5
147.11644	0.5
149.13300	0.5
157.71448	0.4
207.44109	0.5
246.15240	0.5
309.27893	100.0
310.28308	3.1
368.35260	61.5
368.42761	2.9
369.35526	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01864	2.5
55.05509	17.1
56.05026	1.6
57.03434	2.4
57.07068	0.9
58.06590	5.0
60.04248	1.2
60.04527	14.2
63.44775	0.7
63.53105	0.8
67.05506	14.5
68.05021	1.7
69.03416	3.5
69.07073	10.6
70.06578	2.3
70.69641	2.2
70.70023	0.8
71.04992	10.0
71.08587	0.9
72.04520	1.4
79.05494	12.6
80.05012	2.2
81.03413	2.3
81.07062	14.2
81.57319	0.7
82.06568	2.1
83.04980	2.2
83.08619	9.3
84.08153	6.8
85.06546	2.4
86.09706	22.8
88.07617	3.2
91.05492	6.5
93.07044	11.0
94.06563	3.2
95.04977	4.7
95.08605	6.3
96.08124	2.7
97.06516	2.4
97.10176	16.1
98.21309	0.8
100.07603	2.9
105.07010	5.2
106.06517	1.2
107.04951	1.9
107.08599	6.9
108.08110	2.5
109.06532	5.1
109.10161	3.4
110.06051	2.1
111.08072	1.2
112.07613	22.9
113.05991	2.0
114.09151	1.2
117.07025	4.3
119.08562	3.9
120.08125	1.2
121.06504	1.4
121.10142	6.6
122.09672	7.1
123.08062	4.1
124.07606	1.1
125.09628	13.1
126.09126	1.2
128.10719	24.6
129.07021	2.0
130.06548	0.9
130.08667	1.7
131.08559	3.1
133.10114	2.2
134.09587	1.1
135.08043	3.5
135.11684	2.1
136.11194	1.9
137.09612	1.5
138.12778	4.0
143.08578	1.7
143.10703	1.0
145.06444	1.3
145.10143	2.3
146.09625	0.8
147.07950	0.9
147.11661	1.3
148.11122	1.3
154.08673	6.7
156.10187	1.3
159.11668	1.9
161.09608	1.3
163.11122	1.1
164.10718	1.0
172.09685	8.8
177.12811	1.2
180.13815	12.1
187.11241	1.7
189.11186	8.0
195.13727	1.4
198.14983	0.9
217.15923	1.3
221.15443	3.5
222.14949	1.3
223.13269	4.9
238.17937	0.9
241.14330	1.0
272.20074	2.3
273.18463	4.9
274.66760	0.9
286.97809	0.9
290.21115	6.5
291.19443	6.0
308.22202	9.9
332.22137	2.0
350.23312	14.8
352.52448	1.0
368.24310	100.0
369.24655	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	368.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01873	6.2
55.05497	2.5
57.03437	6.8
60.04514	2.0
61.02906	4.6
62.02575	1.3
68.99776	3.6
69.03435	34.2
70.06588	2.3
70.60518	3.9
71.04979	4.5
73.02930	8.5
81.03420	22.9
81.07071	1.5
84.04520	1.7
85.02905	100.0
87.00829	40.5
91.05465	2.0
93.07025	1.6
97.02894	27.9
99.04477	10.5
101.02385	1.6
102.56228	1.4
105.01871	72.3
105.07028	2.5
108.04495	3.3
109.02878	22.8
126.05497	1.7
126.80008	1.4
127.03918	66.3
129.01833	3.3
130.06477	3.7
145.03885	2.6
145.04956	31.2
147.02872	3.1
159.02878	12.4
171.49980	1.1
189.03925	4.0
213.03929	1.7
231.05013	19.3
249.05989	4.8
368.24536	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	367.2842
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
55.01888	3.8
55.05515	23.4
57.07064	9.7
59.04985	2.5
65.52858	2.5
67.05507	30.4
69.03416	7.5
69.07072	31.5
70.03646	2.9
70.03979	12.4
70.06608	3.2
71.04998	3.7
71.08634	30.4
78.02022	2.5
79.05507	18.7
79.05878	2.9
81.07067	47.1
83.08620	12.0
85.06521	4.4
91.05494	17.6
92.36626	2.8
93.07062	28.9
95.04974	11.1
95.08619	33.1
97.06504	7.2
97.10151	3.7
98.21286	6.3
99.08102	24.8
105.07039	24.6
107.08611	21.2
109.06525	35.2
109.10181	15.2
111.08106	3.8
119.08573	20.9
121.06514	12.6
121.10140	13.5
123.08083	8.4
123.11709	7.0
125.06078	2.5
130.37401	2.7
131.08575	8.6
133.10110	15.2
134.72298	2.5
135.08089	8.1
135.11716	8.5
139.11224	4.6
142.07841	2.6
143.08530	3.8
145.10138	7.8
147.11705	5.7
157.10158	5.3
159.11705	7.5
161.13280	8.3
163.11200	10.3
165.12766	64.8
173.13161	4.9
175.14854	5.7
177.12776	9.4
179.14284	3.7
189.16444	3.3
209.18977	23.4
219.17332	3.3
257.14526	2.8
289.25363	19.7
307.26321	8.2
317.24774	100.0
323.33157	3.1
335.25784	33.4
349.27393	81.1
367.26260	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15636	5.2
53.03956	6.0
53.60849	5.6
55.05514	34.2
57.03421	6.3
57.07061	7.2
59.04982	10.2
67.05233	6.7
67.05513	82.7
68.05862	7.7
69.03431	13.0
69.07068	43.3
69.62340	5.4
71.04991	10.5
71.58942	8.4
79.05494	36.9
81.07059	76.7
83.08632	18.2
86.71558	5.2
91.05476	49.8
93.07054	94.2
95.04971	48.5
95.08610	74.7
96.08949	8.2
97.06527	18.1
97.53432	6.6
105.07041	86.4
107.08599	62.9
109.06527	13.8
109.10159	47.2
111.08059	7.1
117.07020	21.5
119.08587	100.0
121.06532	12.0
121.10148	49.4
122.10618	5.4
123.08038	6.5
123.11691	18.2
128.06216	11.0
129.07022	11.6
130.07768	13.4
131.08589	47.8
131.70645	5.2
133.10126	58.8
135.08078	15.9
135.11723	29.5
137.09621	9.8
142.07753	17.4
143.08583	37.3
144.09346	12.8
145.10136	67.6
147.08022	12.0
147.11684	24.4
149.09618	17.4
155.08583	12.2
156.09354	17.7
157.10138	50.5
159.08025	9.1
159.11713	35.3
161.09653	38.3
161.13303	11.0
169.10133	20.2
170.10933	8.1
171.11678	26.1
172.12296	10.7
173.13200	19.4
175.11171	9.6
175.14833	15.1
179.08559	11.0
183.11668	24.9
185.13275	14.5
187.14832	18.1
194.10939	10.2
195.11668	13.3
197.13251	21.0
199.14893	7.4
201.12604	8.1
201.16429	5.3
209.13232	16.9
211.14815	13.6
223.14751	7.9
227.14400	16.0
239.17874	9.5
257.19168	6.3
275.20114	10.4
283.20526	7.4
307.26382	7.6
308.26813	33.2
349.24661	6.8
367.25842	22.3
367.33981	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	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.1
55.05508	35.2
57.07083	10.8
59.05000	7.1
65.03950	7.1
67.05510	76.2
69.03436	12.9
69.07078	36.3
70.07380	9.3
71.04990	7.7
71.08612	7.9
71.58557	6.0
79.05495	52.9
81.07063	93.4
82.07425	9.2
83.04987	7.7
83.08617	15.7
85.06550	15.5
91.05488	70.4
93.07048	83.3
95.04973	45.4
95.08619	75.5
96.08974	7.1
97.06512	13.7
105.07040	100.0
107.08605	73.5
109.06520	17.3
109.10153	56.8
116.06263	6.0
117.07037	22.8
119.04923	5.4
119.08598	94.7
121.06561	7.8
121.10162	43.6
123.08096	7.9
123.11720	18.0
128.06258	16.7
129.06996	19.4
130.07841	16.0
131.08585	57.6
133.10135	65.5
135.08063	20.5
135.11708	17.4
137.09613	10.1
141.07039	10.3
142.07780	28.1
143.06339	6.1
143.08577	34.6
144.09380	6.6
145.10147	86.3
146.07300	8.9
147.08044	14.8
147.11691	25.1
149.09639	20.6
149.13274	6.8
153.62827	5.8
155.08571	14.1
156.09399	13.9
157.10153	51.8
158.10857	12.1
159.08147	6.7
159.11682	26.4
161.09544	36.7
165.07016	8.8
168.09386	10.1
169.10155	21.3
171.11754	30.6
173.09639	7.0
173.13223	31.3
175.11238	6.5
175.14761	26.2
179.08606	7.2
181.10101	13.9
183.11716	25.5
185.13284	14.8
187.14853	10.1
191.14319	7.0
195.11690	8.7
196.12460	6.4
197.13348	19.3
199.14856	15.2
201.12775	6.8
208.04695	7.0
208.86504	5.1
209.13263	17.5
211.14726	10.1
212.74110	5.7
213.12776	5.9
213.16426	6.1
227.14326	15.0
235.14899	5.9
239.18040	5.9
261.16434	7.7
265.19382	7.2
269.19244	6.3
307.26187	10.1
308.26624	52.5
330.07687	5.8
349.25421	11.7
349.79797	6.0
367.26331	20.3
367.33932	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.1
55.01862	2.8
55.05308	2.2
55.05511	26.2
57.03442	2.9
57.07080	10.8
59.04985	5.4
65.03940	3.5
67.05505	48.1
69.03423	10.8
69.07064	19.6
69.85058	8.2
69.85464	5.0
71.04974	8.1
79.05490	32.5
81.07058	48.3
83.04974	6.4
83.08604	8.1
85.06535	3.6
89.84724	2.2
91.05479	57.0
93.06466	5.4
93.07042	72.1
95.04969	35.2
95.08610	51.0
97.06529	11.4
98.21394	3.5
103.05470	5.3
105.07030	97.2
107.04913	2.8
107.08595	62.8
109.06557	14.0
109.10164	43.3
111.08070	4.6
115.05424	6.4
116.06219	6.6
117.07014	23.9
119.08582	100.0
121.06505	9.7
121.10147	46.5
123.08086	6.2
123.11698	15.3
128.06209	13.8
129.07033	23.6
130.07768	9.9
131.08563	60.7
132.08968	2.7
133.10135	64.4
135.08051	16.9
135.11707	26.5
137.09610	8.0
139.11259	2.5
139.92113	2.7
141.06996	9.0
142.07779	20.3
143.08548	43.2
144.09354	13.4
145.06438	3.8
145.09038	4.0
145.10121	68.3
145.11276	3.8
146.07262	7.8
147.08014	9.7
147.11702	21.0
149.09615	19.4
155.08575	15.0
156.09383	14.1
157.10126	45.0
158.10881	8.7
159.08026	6.2
159.11693	35.4
161.09618	41.2
161.13277	11.7
162.09892	2.9
163.11258	3.7
165.07039	3.8
167.08549	7.3
168.09344	5.3
169.10110	20.9
170.10931	5.9
171.11716	22.1
172.12563	4.3
173.09618	6.5
173.13269	27.7
175.11172	9.0
175.14781	17.1
179.08618	12.0
181.10176	11.8
182.10971	5.1
183.11719	22.8
184.12404	4.5
185.09627	3.8
185.13269	15.8
187.14806	11.3
189.12755	4.9
194.10881	8.5
195.11719	13.9
196.12444	5.3
197.13284	15.9
198.13982	3.1
199.11221	4.4
199.14873	15.0
201.12750	4.0
201.16399	6.7
207.11703	4.7
209.13277	22.0
211.14835	10.4
213.12749	6.6
213.16400	8.0
217.15933	3.8
220.12340	2.8
221.13211	3.1
223.14758	6.5
225.16335	3.9
227.14343	14.7
237.16347	4.4
239.17946	9.3
241.19489	3.1
251.17906	3.2
253.19528	3.2
255.17400	6.1
257.19000	3.2
265.19568	4.2
267.17517	2.7
269.19183	5.2
271.20593	3.4
283.20618	3.3
293.19119	2.4
302.83813	2.5
308.26578	4.1
349.25290	8.4
367.26395	14.9
367.33911	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.6
55.05495	22.1
57.07066	17.0
57.63811	5.7
67.05503	53.1
69.03401	9.2
69.07068	32.9
69.60224	26.2
69.60636	16.6
71.04993	10.4
79.05495	36.7
81.07053	59.9
83.05010	6.7
83.08613	12.8
85.06557	8.2
88.02879	6.8
91.05479	75.9
93.07044	65.2
95.04950	30.2
95.08607	58.5
97.06509	16.8
105.07035	86.0
107.08588	49.6
109.06521	12.8
109.10143	29.9
117.07040	17.0
119.08570	100.0
121.06528	6.3
121.10144	40.0
123.11690	12.8
128.06197	6.7
129.06973	11.9
131.08560	46.3
133.10121	53.9
135.08028	12.1
135.11678	21.5
142.07744	24.6
143.08546	35.8
145.10110	70.3
146.07245	8.0
147.08014	11.0
147.11667	20.6
149.09534	16.7
149.13229	7.9
155.08537	14.5
156.09319	18.4
157.10141	44.1
158.10876	8.0
159.08089	8.2
159.11691	43.8
159.52335	6.4
161.09613	32.7
163.11320	8.8
169.10081	23.0
171.11671	25.8
173.09488	7.7
173.13251	28.2
175.11226	11.1
175.14783	13.5
180.09380	7.3
181.10103	16.6
183.11668	18.3
184.12393	7.3
185.13257	19.3
187.11093	8.6
187.14792	25.0
193.04994	5.8
194.10966	7.2
195.11653	8.6
197.13269	20.3
199.14771	16.7
201.12720	7.4
209.13297	31.4
211.14854	13.1
227.14349	12.9
239.17892	15.8
257.18896	8.8
265.19302	6.4
267.17453	7.8
275.17599	6.9
293.07684	6.8
367.25977	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
55.01863	5.1
55.05513	25.4
55.68975	1.1
56.49160	1.0
56.49437	1.1
57.03186	1.6
57.03440	22.3
57.07069	2.4
59.04982	1.5
65.03931	5.1
67.05505	91.9
68.05829	1.3
69.07068	21.2
69.93170	5.3
71.04990	6.2
79.05495	58.5
80.65331	1.1
81.07058	100.0
83.04990	5.9
83.08626	13.3
85.06538	6.3
91.05486	65.2
91.05949	1.2
91.06068	2.2
93.07044	64.4
95.04987	11.8
95.08612	59.3
95.09234	2.4
97.06522	10.1
97.10160	5.7
98.20920	2.7
98.21468	1.6
99.04420	1.8
99.08087	3.9
101.04241	3.4
103.05443	1.5
104.30231	1.4
105.07029	33.1
107.04956	2.8
107.08591	30.8
109.06517	6.1
109.10160	16.0
111.04379	1.6
111.08073	8.6
113.05968	1.4
115.05430	1.5
117.07024	17.4
119.07774	2.0
119.08586	24.3
121.06515	5.1
121.10143	26.0
123.08099	7.2
123.11738	6.1
125.09629	5.4
129.06999	5.2
131.08569	28.2
133.10139	27.7
133.11169	0.8
135.08061	13.6
135.11700	18.4
137.09636	5.4
137.13245	1.5
139.11172	2.7
141.06961	2.4
143.08589	4.8
145.10130	24.0
147.11699	15.0
149.09619	14.2
149.13277	8.6
151.11176	2.9
153.09149	2.5
157.10101	8.3
159.11708	21.4
161.09625	4.0
161.13229	6.8
163.11191	9.8
163.14835	1.5
163.45036	1.3
165.12784	3.7
167.10641	2.3
169.10156	3.4
171.11705	7.1
173.13245	9.5
175.11205	2.7
177.12767	17.0
183.11668	4.1
183.13817	1.3
189.12860	1.5
191.14314	2.9
195.13828	3.1
197.13210	2.7
206.87585	1.3
211.14861	1.7
215.17981	1.4
229.19525	4.5
239.17957	9.7
247.20502	2.1
257.18967	13.5
275.20071	52.3
293.21143	3.2
305.21054	1.3
349.23715	6.4
367.24802	50.0
368.25177	2.4
381.62119	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Betaenone A
Peak:m/z	Relative Intensity
50.64984	1.5
53.03934	2.0
55.01862	4.6
55.05513	13.4
57.03434	2.9
57.07064	2.1
67.05505	21.0
69.07069	13.3
70.97633	4.0
71.05006	2.1
71.08654	3.2
71.09164	1.5
79.05495	18.0
81.03417	1.9
81.07061	29.5
83.04984	7.1
83.08630	3.7
83.92770	1.5
85.52271	1.5
91.05480	18.3
93.07043	24.0
95.04982	8.7
95.08611	17.9
97.06540	3.8
97.10130	2.0
98.20882	2.1
105.07031	23.4
107.04965	6.3
107.08592	17.1
109.06541	9.2
109.10153	9.2
115.05501	1.4
117.07021	7.7
119.08591	14.9
121.06506	11.1
121.10171	6.9
123.08085	5.7
123.11730	3.0
125.09623	3.1
129.07045	4.2
131.08582	18.4
133.06523	4.3
133.10147	17.5
135.08086	4.7
135.11682	4.7
137.09677	2.9
143.08582	4.6
144.09123	1.4
145.06496	1.6
145.10112	12.9
147.08037	3.5
147.11719	11.1
149.02324	2.0
149.09650	5.5
149.13245	3.1
151.11206	7.1
157.10141	3.3
159.08055	1.7
159.11717	7.1
161.09644	4.5
161.13222	3.4
163.11172	5.2
167.03360	2.2
169.10165	1.9
173.09659	2.9
173.13252	5.9
175.11215	2.9
177.12811	2.7
183.11661	2.5
185.13194	1.5
187.11076	2.2
187.14830	1.7
189.12686	1.6
191.14270	2.0
192.23843	1.5
197.13220	2.5
201.12704	2.3
207.13812	2.7
215.17953	2.2
219.13734	2.3
229.19620	2.9
233.18997	1.9
239.17885	3.2
247.20522	3.3
257.19009	14.8
275.20059	100.0
293.21109	13.3
349.23801	33.4
367.24838	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
55.01860	7.3
55.05299	2.6
55.05514	31.4
55.72845	2.7
57.03433	19.8
57.07079	2.7
62.82734	2.3
65.03941	6.4
67.05508	92.6
67.05867	4.7
69.07066	20.6
70.17438	11.2
71.04988	5.8
71.08622	12.5
77.03907	2.9
79.05499	64.5
81.07059	100.0
83.04961	7.6
83.08624	14.7
85.06540	8.2
90.68553	2.6
91.05484	70.9
93.07047	61.8
93.42970	2.6
95.04951	11.2
95.08036	5.2
95.08609	60.3
97.06506	8.7
97.10172	11.1
98.21124	6.6
99.08085	9.4
105.07037	37.0
107.04940	7.5
107.08614	32.1
109.06524	7.9
109.10163	20.0
111.08087	8.0
117.07021	20.8
117.73950	2.7
119.08570	32.5
121.06506	6.0
121.10151	31.9
123.08068	6.4
123.11710	6.7
125.09623	7.1
129.07011	6.1
130.06503	4.3
131.08575	35.9
132.91885	2.5
133.10132	29.0
135.08049	16.8
135.11713	17.6
137.05925	2.8
137.09608	6.9
139.11191	6.5
143.08577	4.7
145.10141	28.3
147.11674	21.2
149.09618	14.1
149.13248	10.7
151.11214	5.8
155.08549	4.8
157.10095	10.9
159.11711	20.2
161.13234	5.3
163.11154	12.7
165.12724	4.7
169.10153	5.2
171.11682	11.4
173.13239	15.1
174.98953	3.5
175.11089	3.3
177.12732	22.9
183.11714	5.4
189.00537	6.1
197.13326	4.0
199.02797	2.8
203.02281	3.2
209.13208	3.2
211.14908	4.3
226.84782	2.9
229.19505	4.5
239.17969	9.7
247.20549	4.0
257.18991	11.7
275.17233	5.3
275.20059	64.7
276.20380	3.2
293.21112	19.4
349.23706	10.6
367.24994	48.8
377.30237	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.9
55.01856	12.9
55.05512	39.1
57.03436	26.0
57.07042	3.0
59.05003	42.5
60.55087	3.2
65.03928	3.9
67.05173	4.6
67.05507	72.5
68.21618	2.7
69.03406	7.6
69.07068	34.5
70.06579	6.3
71.04995	6.9
71.13139	6.6
79.05067	3.0
79.05492	53.2
81.03393	3.6
81.07056	100.0
83.04974	11.3
83.08619	14.3
85.06540	4.6
89.72631	2.8
91.05485	51.8
93.07035	46.6
95.04960	10.8
95.08610	47.5
97.06554	17.0
97.10156	9.2
99.08087	6.0
105.07032	41.3
107.04945	9.0
107.08601	31.0
109.06522	18.9
109.10160	28.1
111.08069	5.7
114.95994	2.7
117.07037	15.8
117.09107	7.5
119.08582	28.5
121.06527	7.6
121.10152	18.7
123.08054	8.2
123.11707	9.8
125.09610	6.7
129.07019	6.4
130.06512	11.6
131.08524	21.3
133.10121	29.4
135.08052	6.4
135.11662	10.2
137.09590	4.7
143.08517	6.9
145.08443	3.4
145.10110	16.6
147.08005	3.8
147.11690	17.8
149.09599	8.2
149.13155	7.2
151.11122	3.1
157.10112	7.2
158.06010	4.8
159.11664	14.7
161.13219	6.5
163.11185	11.0
165.12738	7.9
172.07594	17.9
173.07957	8.3
173.09534	2.8
173.13239	5.9
175.11160	3.5
175.14867	3.6
177.12759	5.8
187.11101	3.3
191.14355	3.6
198.14946	4.2
239.17963	4.7
247.20584	6.3
248.28252	2.9
249.06946	6.6
250.07297	13.7
257.19003	6.6
269.17438	4.6
275.20050	51.4
293.21091	4.4
294.11093	2.8
349.23752	11.0
367.11316	9.3
367.15924	4.0
367.20786	16.0
367.24777	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
53.61857	2.9
53.69037	3.0
55.01865	3.3
55.05510	23.1
57.03448	15.6
57.07067	3.2
67.05509	39.1
69.03439	3.5
69.07072	24.0
69.75982	6.5
69.76388	9.6
71.05004	5.4
76.35806	2.6
79.05493	39.0
81.03418	7.7
81.07059	100.0
83.04992	5.8
83.08624	13.6
85.06553	10.5
91.05473	32.5
93.07042	37.3
95.04987	14.5
95.08601	27.5
97.06543	13.1
97.10184	6.5
98.21407	4.7
99.08070	3.3
105.07036	37.4
107.04955	4.6
107.08588	25.1
109.06509	20.1
109.10167	16.4
111.08089	6.2
117.07018	11.3
119.08581	29.1
119.44928	2.7
121.06522	6.6
121.10157	18.6
123.08084	11.7
123.11727	8.1
125.09609	3.5
131.08565	17.5
133.10132	23.4
135.11726	4.6
137.09596	5.2
139.68584	3.4
145.10136	14.0
147.11691	23.3
149.09598	10.5
149.13306	6.1
151.11197	3.8
159.11725	13.3
161.13245	3.7
163.11157	6.0
165.12781	4.8
173.13254	4.6
177.12700	3.5
247.20625	7.4
257.19028	7.3
275.20078	41.7
293.20959	3.4
349.23685	7.3
367.24924	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01878	13.7
55.05510	34.4
57.03436	21.4
65.03930	3.3
67.05507	70.1
69.03425	4.9
69.07065	36.6
70.23707	7.4
71.04983	5.9
79.05492	57.9
81.03410	3.5
81.07056	100.0
83.04967	9.5
83.08617	15.9
85.06522	4.4
91.04961	3.1
91.05483	40.7
93.07041	44.2
95.04971	13.4
95.08041	3.1
95.08607	40.8
95.33809	2.0
97.06527	19.6
97.10201	9.4
98.21221	5.3
99.08107	4.8
105.07034	37.6
107.04954	10.1
107.08589	36.9
109.06505	12.0
109.10155	20.5
111.08076	4.8
115.05460	2.0
117.07009	10.9
119.07766	3.6
119.08575	33.6
121.06480	4.8
121.10144	21.9
123.08055	7.4
123.11703	9.1
125.09631	10.0
129.07048	3.1
130.07774	2.0
131.08575	16.6
133.10129	30.0
135.08035	8.0
135.11688	12.2
137.09604	5.6
143.08534	5.5
145.10121	19.6
147.11682	22.1
149.09630	16.8
149.13223	6.4
151.11191	3.6
155.08534	3.0
157.10133	4.7
159.11739	10.1
161.09634	2.6
161.13231	5.5
163.11156	10.0
165.12807	4.5
169.10095	3.4
171.10141	2.4
171.11665	2.8
173.13252	6.8
175.11177	3.6
177.12732	3.1
179.14273	3.5
183.11763	2.9
189.11169	5.4
195.13791	2.8
197.13297	3.0
207.85745	2.2
229.19525	4.5
239.17981	4.3
247.20615	4.7
251.20178	3.8
257.19006	7.0
262.49945	2.2
265.21619	3.1
275.20068	57.0
275.22861	2.2
276.20337	2.3
293.21118	4.1
309.20505	2.9
349.23636	19.3
367.24786	30.0
368.24643	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.01871	13.0
55.05303	2.3
55.05515	29.0
55.46661	1.9
57.03445	18.3
57.07062	3.6
59.05004	3.1
65.03929	3.9
67.05169	4.5
67.05506	67.2
69.03419	5.5
69.06773	2.3
69.07069	26.6
69.93359	8.2
69.93777	5.2
71.04982	6.4
71.88373	2.4
74.55193	2.2
75.74226	2.1
79.00001	2.4
79.05057	3.9
79.05492	59.5
81.03430	4.4
81.07059	100.0
83.04971	11.0
83.08610	16.2
85.02865	2.1
91.04961	3.6
91.05484	49.5
93.07052	49.9
95.04990	14.4
95.08610	42.6
97.06544	20.7
97.10163	6.9
99.08117	2.6
105.06372	4.7
105.07028	45.5
107.04946	14.8
107.08592	38.1
109.06501	10.7
109.10144	22.6
111.08082	4.8
117.07024	12.8
119.07774	4.1
119.08577	43.5
121.06460	6.6
121.10122	16.8
123.08081	4.7
123.11662	9.4
125.09614	7.0
127.21165	2.5
129.06987	5.3
131.08574	20.2
133.10117	31.8
135.08046	10.4
135.11713	10.8
137.09627	8.0
143.08578	5.8
145.10129	23.9
147.08052	3.4
147.11688	21.4
149.09618	13.2
149.13249	6.5
151.11215	4.0
155.08528	4.2
157.10097	6.9
159.11662	13.0
161.13211	5.0
163.11168	8.8
165.12753	6.5
169.10158	4.1
171.10150	2.5
171.11658	4.4
173.13240	7.5
177.12770	5.3
185.13223	3.1
185.30367	2.4
187.14816	3.6
197.13217	4.6
203.14415	3.3
219.13864	2.5
222.53609	2.5
229.19545	5.1
239.17865	6.9
247.20602	7.9
257.19046	12.4
275.20047	75.3
276.20471	2.4
285.10086	2.9
293.21201	6.2
349.23911	19.0
367.25031	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	367.1881
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
50.28261	1.6
55.05513	2.0
56.96567	28.1
57.03421	1.9
61.18489	1.3
67.05482	4.7
70.06577	1.7
71.24213	1.8
71.24545	2.7
71.76544	1.4
71.95245	3.3
79.05461	5.9
81.03397	2.1
81.07057	13.7
91.05453	4.2
93.07014	3.4
95.04937	1.4
95.08610	2.6
98.20899	1.5
105.07000	3.8
107.08588	3.6
109.10146	1.6
110.97557	3.1
115.97855	1.9
119.08554	2.7
128.98566	4.4
130.05586	3.2
130.06535	63.9
133.10132	1.8
134.09642	10.2
135.08051	1.8
144.74472	1.5
146.99651	3.5
147.78673	1.4
161.01212	1.7
161.51173	1.3
163.03899	1.8
163.09233	1.5
168.10229	1.4
171.03242	1.7
185.04808	1.7
189.04446	1.9
191.14256	6.4
199.06334	2.8
203.05859	2.2
211.06432	2.3
213.07942	8.2
217.07446	4.4
223.06593	1.5
225.07866	4.3
227.09488	1.6
229.07407	2.7
231.09062	13.8
237.07921	1.7
239.09477	4.2
241.11009	5.1
243.08992	5.2
251.09520	5.7
255.09004	6.1
257.10684	2.3
259.12100	4.7
269.10608	36.9
273.09995	4.4
275.19943	3.0
287.11621	14.8
292.12006	2.0
297.09985	4.3
331.15738	6.6
349.16949	15.2
359.73203	1.7
367.17819	100.0
368.18256	2.6
385.19000	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	367.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87413	2.0
53.03954	4.4
53.36895	2.3
55.01867	14.9
55.05519	10.7
56.05009	2.2
57.03424	7.1
57.07072	5.4
60.67294	2.1
67.05507	18.1
69.03428	11.1
69.07073	11.5
69.35537	13.7
69.35957	7.2
70.06597	4.7
71.04978	3.2
72.08169	3.4
75.38671	2.5
79.05492	29.1
81.03419	6.7
81.07065	23.1
83.04980	11.5
83.08643	3.7
84.04513	5.1
84.08129	7.5
85.02901	5.4
85.06490	2.8
86.09735	4.5
87.04465	2.9
91.05477	27.4
93.07040	40.7
95.04959	9.0
95.08611	16.3
97.02947	3.2
97.06512	15.4
98.20599	2.1
98.21104	11.6
103.05399	2.6
105.01855	3.0
105.04642	2.2
105.07032	28.9
107.04952	11.5
107.08600	29.6
108.08169	2.8
109.02861	2.4
109.06531	9.4
109.10145	6.5
110.07182	2.8
111.08100	3.3
112.72659	2.3
115.05479	4.6
117.07005	12.9
119.08586	22.7
121.06489	21.7
121.10142	23.3
123.08037	5.4
123.11681	4.0
125.05964	4.7
127.03896	3.4
128.06264	4.1
129.07013	7.6
130.05003	3.1
131.08571	34.0
133.02843	3.1
133.10132	14.1
135.08061	25.8
135.11714	7.1
136.05141	3.4
136.06194	70.5
137.04750	4.9
137.05818	8.5
137.06560	19.9
137.09587	3.7
143.08522	4.0
145.06534	3.9
145.10109	21.4
147.08069	12.8
147.11671	6.8
149.09625	58.3
149.13321	2.8
153.06987	2.3
155.08539	3.7
157.10172	4.4
159.08089	5.4
159.11664	11.2
161.05997	3.8
161.09619	7.3
161.13232	2.8
163.11200	7.0
165.09073	3.6
169.10155	4.0
171.11655	3.2
173.09669	5.2
173.13255	16.3
174.03992	9.1
177.09113	12.1
177.16541	3.4
179.10727	3.3
187.11247	3.1
187.14845	9.1
188.67418	2.5
189.12709	30.3
190.61351	2.9
191.06989	2.9
191.10672	8.9
191.14313	29.4
197.13292	3.5
201.09077	4.1
203.10789	2.7
205.15880	14.6
205.17580	2.4
213.09212	2.9
213.12868	2.5
215.10716	3.9
215.14282	11.6
233.15366	100.0
242.87042	2.3
251.16418	15.8
274.05951	2.5
275.20074	8.3
279.89108	2.9
302.63293	2.3
321.18530	4.3
323.23264	4.2
349.16614	13.0
349.20584	6.0
349.24164	3.5
367.17413	21.8
367.22034	23.2
367.25815	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87503	0.9
51.64172	0.9
55.05500	1.4
56.05015	0.8
62.06092	100.0
67.05513	1.1
70.02888	3.4
70.06583	2.9
72.08138	2.9
81.07037	1.0
83.04977	1.1
83.77444	0.9
84.04520	2.0
84.08121	1.8
85.02894	1.8
86.09705	4.1
87.00832	1.1
87.10042	1.5
90.85689	0.8
90.94916	0.8
91.05443	0.8
97.02859	1.4
98.20844	1.9
98.21413	1.5
103.35410	0.9
105.01831	2.1
110.07155	1.3
120.08108	1.2
127.03906	1.2
127.08747	0.9
130.06537	6.7
131.44618	1.1
173.12866	2.0
174.13242	1.0
223.08833	0.9
283.06000	1.1
333.15613	0.9
367.07333	1.1
367.17419	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
56.65664	0.3
56.96564	3.2
58.99578	0.7
63.21329	0.3
67.05488	0.5
69.07063	0.4
69.28026	0.3
71.58099	0.3
71.58524	0.5
71.95248	0.3
79.05487	1.0
81.07044	1.4
83.40017	0.3
86.99062	0.4
91.05495	0.8
93.07024	0.7
95.04977	0.4
95.08627	0.5
98.21213	0.3
103.05462	1.2
105.07046	0.7
107.08570	0.6
109.06574	0.4
116.01932	0.2
117.06997	0.6
118.06557	2.3
119.07309	2.2
119.08588	0.3
121.10158	0.5
123.08080	0.3
127.88190	0.2
128.98669	0.4
129.05757	0.3
130.06529	100.0
131.06885	1.3
131.08556	0.7
134.09654	63.4
135.09959	0.5
145.10112	0.8
168.97490	0.3
191.14285	0.8
199.06456	0.5
205.07310	0.3
213.07953	0.6
217.07462	0.5
225.07993	0.4
229.07520	0.7
231.09044	0.9
233.15263	1.3
238.08952	2.6
243.09052	0.5
251.09579	0.6
255.08998	0.5
257.06512	0.3
269.10605	2.7
273.10034	0.5
287.11600	0.9
295.28815	0.3
297.10019	0.7
315.11111	1.0
331.15604	0.5
349.16861	0.8
367.17966	5.5
367.22021	0.6
385.19009	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	367.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79233	0.2
54.03455	0.2
55.01870	0.3
55.05514	0.3
56.05030	1.5
57.52134	0.2
58.99287	0.4
58.99585	7.9
59.99113	0.5
60.04531	0.2
60.13179	0.2
62.00661	0.2
67.05502	0.6
68.05020	0.3
69.03423	0.3
70.02956	4.3
70.06573	0.4
71.05544	0.2
71.58173	0.3
73.01141	0.5
74.00668	7.2
74.01086	0.4
74.02438	0.4
76.02232	9.9
76.04007	10.8
79.05499	0.4
80.05022	0.9
81.07055	0.5
82.72957	0.2
83.06113	1.9
84.04506	31.2
84.08150	0.3
85.02905	0.7
86.99055	3.5
88.02213	1.9
88.04000	0.5
90.96788	0.6
91.05515	0.3
91.96298	0.4
93.07050	0.5
93.97854	1.4
95.08617	0.3
99.05582	5.4
101.01725	7.1
102.05553	0.8
105.00072	0.2
105.01880	0.4
105.07043	0.4
107.06078	3.1
108.04487	0.6
109.07643	0.4
114.03748	0.8
116.01684	17.5
116.03446	0.8
117.01977	0.2
117.06649	0.3
117.97826	35.3
118.63519	0.2
118.98132	0.3
123.55433	0.2
125.07113	0.4
127.03967	0.2
127.05042	0.6
128.04268	0.2
129.06566	1.5
130.05014	10.4
130.06491	3.5
131.08568	0.3
135.00462	13.0
135.05539	0.8
136.03973	0.4
136.06192	5.8
137.04488	0.2
137.06628	2.0
141.04845	0.2
142.03218	5.9
144.01151	2.2
144.15269	0.2
145.06079	8.7
145.97308	0.6
147.00471	0.4
152.33260	0.2
153.06589	8.8
154.04953	0.6
158.03838	0.2
161.46326	0.2
162.02220	3.9
162.99954	2.7
163.98309	1.5
170.02687	1.6
174.99956	10.0
179.04868	1.2
181.06104	1.9
187.05330	0.6
193.00990	1.5
199.05547	0.4
199.07138	12.9
200.07471	0.3
202.99454	5.2
204.04388	4.2
211.07159	0.7
215.04768	0.3
221.00494	100.0
222.00839	1.2
229.00970	0.5
233.05887	1.3
238.03114	2.0
245.05934	1.8
256.09232	0.5
257.07648	1.3
274.10275	0.3
275.01495	1.7
275.20074	0.3
291.06479	0.3
292.01001	0.4
292.04187	7.2
308.09241	0.3
349.06323	0.3
349.20541	0.8
350.04553	0.2
367.07413	2.9
367.21506	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36351	0.2
70.19147	0.4
70.19551	0.4
72.41451	0.2
82.99880	0.3
98.97596	0.3
101.00864	1.6
119.01928	7.4
134.99809	0.6
137.02962	2.1
142.09732	0.2
153.00931	0.4
156.24281	0.2
158.99849	1.1
169.28444	0.2
175.03058	0.2
177.00960	17.4
178.01060	0.8
183.00018	0.5
195.02068	0.4
201.00914	1.0
217.04100	2.7
217.99271	0.2
219.02019	24.0
220.02118	1.3
225.00868	2.4
233.03700	0.2
235.00056	0.7
236.00089	0.5
242.03653	0.4
243.02002	7.2
244.02193	0.3
256.95035	0.4
259.00018	0.9
260.00131	1.6
261.03067	100.0
262.03229	4.4
263.03342	0.8
271.60696	0.2
275.04611	1.7
277.01077	0.9
278.01135	1.5
279.00800	0.4
282.99945	1.9
284.00119	3.6
284.04660	2.5
284.99905	1.0
301.01068	3.3
302.01184	6.0
303.00876	1.8
320.02109	0.2
326.01297	0.6
342.95285	0.7
343.01868	0.9
344.02261	3.4
345.02087	0.4
362.03308	0.7
364.00665	0.2
364.51050	0.5
367.02066	0.8
372.51547	0.3
373.01407	0.3
373.51843	0.3
374.01669	0.3
385.03165	5.3
386.03607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.9
55.01855	1.4
55.05513	25.1
57.03410	0.9
57.07051	2.7
60.08145	3.1
65.03916	1.5
67.05505	63.7
69.07069	32.5
70.84075	1.4
70.84412	0.8
71.04963	2.1
71.08627	1.1
73.02892	2.1
73.06563	0.6
79.05063	1.0
79.05493	13.1
81.07058	62.5
81.87038	0.7
82.07344	1.5
83.04982	0.9
83.08622	8.8
85.06514	1.2
86.09683	1.3
91.05476	5.0
93.07046	10.9
95.08610	46.0
97.06538	1.7
97.10194	3.7
99.04458	4.0
101.95631	0.6
105.07019	2.9
107.08595	4.7
109.06522	0.9
109.10162	13.6
111.11726	1.2
119.08605	3.3
121.10144	3.7
123.08044	1.0
123.11697	6.1
131.08574	1.3
133.10115	1.4
135.11673	3.0
137.13249	2.7
145.10046	0.7
147.11722	1.4
149.09619	0.7
149.13264	1.4
151.14743	1.0
161.13269	0.7
166.25789	0.6
175.14848	0.9
177.70358	0.7
307.26306	95.5
308.26678	1.9
366.33670	100.0
367.34015	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	366.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
54.10203	0.4
54.81471	0.4
55.05514	3.8
57.07072	0.7
60.04528	70.3
61.54623	0.4
61.93869	0.4
65.03960	0.6
67.05508	11.7
68.62289	0.4
68.82113	0.5
69.07071	3.4
69.95847	2.4
70.02951	2.6
71.05001	0.5
73.62909	0.4
79.05495	11.6
81.07058	13.3
81.07515	0.9
83.08621	1.3
83.27826	0.4
88.03996	32.3
91.05482	7.1
93.07045	12.2
95.04971	1.6
95.08614	8.2
97.06570	0.6
98.20966	1.1
105.07047	4.1
106.05033	100.0
107.05427	0.5
107.08597	5.1
109.10152	3.3
117.07055	1.4
119.08592	3.0
121.10143	5.3
123.08056	0.5
123.11729	1.5
131.08595	3.4
133.10110	2.2
135.11732	3.4
141.19885	0.4
145.10101	2.4
147.11684	1.2
149.13226	2.4
159.11693	1.8
161.13216	1.2
163.14845	1.6
173.13246	1.4
175.14870	0.6
177.16423	0.8
187.14841	0.9
207.11627	0.5
243.21092	1.5
261.07797	0.4
261.22214	6.3
346.79309	0.5
348.25153	1.1
366.26535	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18447	0.4
55.05500	1.3
57.03418	0.5
58.99599	0.4
60.04521	2.8
67.05506	0.9
69.03382	0.3
70.02975	0.5
70.06583	1.6
71.57826	0.3
72.08133	0.9
81.07053	0.5
83.08635	0.4
84.04493	1.3
84.08126	1.2
86.09710	10.9
87.05594	2.9
87.96873	0.4
91.05476	1.7
92.05006	4.1
93.05800	0.7
93.07059	0.5
94.06588	0.9
100.55419	0.4
100.66669	0.4
101.01710	0.5
105.07034	0.6
106.06553	1.2
107.08590	0.6
109.10178	0.4
110.07191	0.5
116.05269	0.4
117.05774	0.8
117.97786	0.7
118.05688	0.7
118.06545	14.0
119.07314	1.4
120.08109	6.8
128.10709	1.8
130.05038	0.7
130.06540	9.3
132.08081	2.3
134.09631	0.8
136.06186	1.5
137.04642	0.5
137.06664	0.4
144.08073	1.2
146.09665	0.8
160.07622	1.2
162.07809	1.0
162.09146	14.9
163.09901	2.8
164.10730	0.9
166.08598	1.8
173.12871	13.0
176.10793	0.9
191.14354	0.7
201.12390	3.0
202.15930	2.7
204.04343	0.4
207.11331	1.4
212.09239	0.4
221.00481	2.4
230.15404	20.5
248.16444	0.5
274.18362	0.4
292.19070	11.7
348.21921	0.6
361.02432	1.1
366.22766	100.0
367.22974	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.0
59.21886	0.7
60.04527	21.1
67.40171	0.7
70.02938	1.7
70.06573	1.3
71.58109	1.1
72.04514	0.8
86.09706	69.8
87.05598	15.0
91.05470	1.1
92.04990	1.4
93.07086	0.9
103.05472	1.2
112.11208	1.2
112.27642	0.7
118.06548	4.6
119.07321	0.9
120.08114	32.5
128.10732	9.7
130.06497	3.8
136.06233	1.2
144.08034	1.0
161.06010	0.8
162.09177	6.0
163.09888	1.1
166.08653	13.7
173.12863	100.0
174.13248	0.9
189.87993	0.7
201.12344	22.5
202.15979	1.2
207.11314	4.8
230.15424	10.4
235.10828	1.5
279.17099	2.0
292.19098	18.8
321.96887	0.9
361.02362	1.5
366.22778	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2021
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
56.88301	0.6
60.04523	20.2
70.02965	0.9
70.06581	0.9
72.04513	1.0
84.04472	1.0
84.08128	1.1
86.09706	65.4
87.05595	15.1
103.05434	1.6
107.83926	0.7
112.11210	0.9
118.06573	2.5
120.08106	25.4
128.10722	9.2
130.06503	1.5
134.09671	0.7
136.06169	0.9
162.09109	2.9
166.08638	13.8
173.12865	100.0
174.13203	1.3
192.22659	0.7
194.21764	0.6
201.12349	22.9
202.15909	0.8
207.11296	2.7
218.96649	0.7
230.15430	3.7
231.44478	0.7
279.17010	1.2
286.10059	0.7
292.19089	8.1
324.44400	0.6
366.18478	1.2
366.22818	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	366.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.3
55.01859	4.6
55.05507	2.6
56.05025	2.1
57.03442	8.9
57.85183	1.8
60.04507	7.7
61.02910	6.6
62.06063	6.4
68.38411	1.5
68.99773	2.1
69.03082	2.3
69.03429	39.1
69.07056	3.0
70.03803	1.7
70.06580	4.9
70.53728	5.4
71.04974	4.0
71.27059	1.5
72.04516	1.9
72.08128	5.8
73.02903	5.0
79.05462	1.9
81.03422	26.1
84.04479	2.0
84.08101	3.5
85.02906	100.0
86.03290	1.5
86.09705	41.8
87.00831	51.8
87.05568	4.8
91.05511	1.9
93.07072	2.0
97.02897	31.9
99.04481	11.2
99.29675	1.7
101.02351	1.8
103.05477	1.8
105.01864	81.9
109.02882	30.6
120.08121	10.0
127.03916	74.1
127.05326	2.3
128.10693	7.0
130.06532	11.9
132.01158	2.7
136.06172	4.7
145.04955	33.8
158.05962	2.7
159.02908	12.2
164.34343	1.6
166.08586	4.5
173.11349	2.5
173.12869	46.2
189.03944	4.2
193.31033	1.7
201.12358	7.5
213.03908	2.2
231.05032	17.8
249.05981	9.1
366.22406	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	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01866	5.8
55.05499	3.1
57.03431	5.0
61.02927	6.6
63.32425	1.2
67.05493	2.1
67.62041	1.3
68.99780	1.7
69.03430	29.2
70.49525	3.7
71.04984	5.5
72.96217	1.1
73.02934	6.6
74.77760	1.2
79.05509	1.5
81.03416	22.3
81.07055	1.4
84.04498	3.4
85.02907	100.0
87.00836	39.4
91.03975	1.3
97.02274	2.2
97.02893	32.2
98.06050	1.4
99.04453	15.3
99.08116	1.3
101.02380	1.3
105.01870	63.1
108.04506	3.5
109.02884	25.7
111.08047	2.3
113.09512	1.2
115.03931	1.4
117.01871	2.5
117.97809	1.8
127.03921	76.3
129.01826	3.2
135.08063	1.7
136.06190	52.9
137.06502	1.4
145.04976	34.5
145.06117	2.6
147.02873	2.2
151.07559	2.0
159.02884	16.1
177.03999	1.6
189.03975	4.3
209.11783	4.1
213.03972	2.9
221.00470	7.8
231.05014	20.5
248.07628	1.7
249.06155	6.1
295.11743	5.0
348.20270	6.0
366.21335	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	366.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51786	0.8
70.95225	1.3
98.20940	1.2
98.97598	1.2
101.00882	0.8
119.01936	7.6
134.99712	1.3
137.02969	3.2
177.00954	22.8
178.01035	0.8
182.99860	0.8
192.98973	1.1
201.00993	1.6
216.98906	3.1
217.04066	2.6
219.02005	30.6
222.97629	0.9
234.99991	12.1
236.00081	1.5
240.98827	1.8
242.03453	0.8
242.99858	1.2
243.01897	5.5
253.01091	3.0
259.00006	24.6
260.00064	3.5
260.04520	0.8
261.03073	100.0
262.03162	1.8
263.03168	1.1
264.99008	2.9
273.98862	1.0
275.04532	1.4
277.01059	25.8
278.01141	3.5
279.01169	1.1
282.99991	50.7
284.00165	5.3
284.04791	4.4
301.01050	97.6
302.01151	9.4
303.00934	1.2
315.02679	1.4
319.02103	5.0
323.94901	1.1
324.02618	2.4
325.01019	7.9
341.95569	2.0
343.02109	38.0
344.02176	1.2
357.03677	0.9
358.99905	1.1
360.00183	1.1
361.03171	11.4
363.01120	1.2
363.51254	1.5
364.01004	1.1
366.03632	0.8
372.01428	1.0
372.51514	1.4
384.00555	1.0
385.03253	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	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.05517	21.7
57.03447	2.4
57.07066	5.4
65.03941	4.1
67.05167	2.9
67.05505	49.6
68.05842	5.4
69.03403	6.7
69.07062	16.9
70.07388	2.3
71.04988	2.8
76.68684	1.9
79.05122	2.7
79.05499	28.9
81.07056	39.3
82.07386	5.2
83.04979	2.9
83.08608	9.3
84.46706	1.9
85.06528	5.3
91.05486	31.8
93.07052	42.2
94.07376	6.4
95.04972	55.6
95.08606	51.3
96.08926	4.1
97.06505	6.2
97.10184	3.6
101.14179	2.1
103.05476	2.2
103.86578	1.8
104.35657	1.9
105.07030	47.0
107.08595	40.6
108.08904	4.2
109.06538	14.4
109.10146	16.4
110.10529	2.1
115.05463	5.1
117.07014	13.6
119.05000	2.1
119.07796	2.9
119.08581	43.8
121.06504	5.3
121.10143	18.3
123.08056	5.4
123.11705	4.3
125.09666	3.8
128.06252	4.9
129.07013	13.1
129.85220	2.1
130.07750	4.3
131.08562	23.0
133.10129	25.2
135.08073	12.1
135.11742	10.9
136.91624	2.1
137.09608	3.4
141.06984	5.0
142.07774	14.9
143.08563	29.5
144.09331	9.5
145.10124	36.1
147.08035	6.5
147.11697	9.7
149.09619	4.7
149.13260	2.9
153.07076	3.1
154.07776	4.5
155.08530	14.8
156.09314	16.8
157.10139	36.8
158.10921	7.0
159.08073	6.5
159.11714	36.9
161.09586	9.4
161.13246	10.0
163.11212	2.5
165.07007	7.2
166.07755	2.3
167.08546	10.8
168.09340	6.1
169.10104	24.2
170.10915	12.0
171.11697	27.0
172.08783	3.4
172.12444	5.9
173.09627	10.2
173.13255	13.9
175.11195	6.4
175.14758	3.2
177.12799	3.1
179.08585	11.9
180.09348	6.1
181.10149	17.2
182.10893	9.6
183.11708	32.3
184.12445	6.1
185.13264	22.5
187.11194	16.5
187.14818	18.9
189.12732	4.8
191.08537	2.4
191.14267	3.2
192.09344	4.1
193.10165	14.4
194.10881	12.5
195.11674	33.6
196.12447	8.8
197.09552	2.9
197.11778	2.7
197.13313	17.9
198.14044	3.1
199.11221	7.1
199.14862	6.1
201.12781	5.3
203.14340	3.9
205.10162	4.0
205.15848	10.8
206.10931	7.2
207.11661	27.4
208.12492	14.8
209.13263	29.4
210.13940	6.7
211.11208	5.2
211.14784	10.4
213.12744	16.1
215.14420	2.7
217.10159	4.0
217.15932	4.1
219.11749	9.2
220.12459	6.9
221.13266	23.2
222.14029	9.7
223.14830	26.2
224.15524	3.3
225.12741	6.1
225.16368	6.7
227.14415	2.5
229.15857	3.1
231.11774	4.0
232.12389	4.1
233.13298	10.1
234.14064	5.8
235.14746	11.8
236.15614	8.1
237.16408	13.4
238.17175	4.3
239.14241	5.0
239.17958	4.4
241.15907	7.0
245.13341	3.1
246.14145	2.5
247.14865	8.4
248.15631	5.3
249.16335	14.7
250.17296	3.6
251.14244	3.4
251.18008	12.9
253.15874	5.8
255.17404	3.3
256.18164	3.2
258.14090	3.4
259.14734	4.8
261.16443	3.7
262.17285	3.5
263.17847	10.9
264.18652	5.2
265.15909	6.5
265.19421	5.9
267.17462	7.0
269.18958	9.6
273.16214	4.8
274.17010	2.8
277.16101	3.7
277.19324	4.6
281.18930	6.6
282.19659	3.7
287.17780	3.3
289.19382	3.4
291.17419	9.2
299.18039	2.5
305.24924	3.6
306.25146	25.0
309.18454	4.3
314.20087	2.7
317.19022	4.4
319.24158	3.7
329.22574	5.1
343.16122	2.2
347.23691	36.7
365.24753	100.0
365.32126	36.9
366.25146	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	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	22.6
57.07068	6.9
59.04987	6.8
67.05508	31.1
69.03421	7.4
69.07046	15.0
69.38144	29.4
69.38551	13.7
79.05491	20.6
81.07056	27.0
83.04943	6.3
90.24184	5.1
91.05486	41.9
93.07053	46.6
94.22173	5.5
95.04980	33.0
95.08598	18.1
97.06536	12.4
98.20998	21.0
105.07041	55.7
107.08627	35.7
109.06511	12.0
109.10152	17.9
115.05492	6.9
117.07010	14.5
119.08568	47.2
121.06491	6.9
121.10126	38.1
123.08065	11.4
123.11702	6.3
128.06223	10.8
129.07002	12.0
131.08575	23.8
133.10126	24.8
135.08028	11.3
135.11734	5.5
141.06992	9.0
142.07788	9.7
143.08586	39.2
143.65778	6.1
143.85188	5.4
144.09322	5.7
145.10124	35.9
146.07158	5.6
147.07996	7.7
147.11690	13.2
149.09634	11.4
155.08588	15.5
156.09344	13.1
157.10136	33.3
159.08061	7.8
159.11659	17.2
161.09622	13.4
161.13187	7.6
165.07048	8.5
167.08594	9.0
169.10158	17.4
170.10934	9.4
171.11708	22.2
173.09631	9.4
173.13272	20.3
175.11232	6.3
179.08659	10.9
181.10135	18.4
183.11670	23.6
185.13228	13.6
187.11238	9.3
187.14787	6.9
191.14305	10.3
193.10074	15.0
194.10912	11.0
195.11676	25.5
197.13286	18.9
198.14098	5.2
199.14862	9.5
201.12794	7.4
206.10983	11.6
207.11743	19.3
208.12573	10.4
209.13202	15.0
211.14874	10.5
219.11752	6.9
221.13286	19.3
222.13922	9.1
223.14886	10.8
225.12910	9.0
225.16335	5.1
227.14375	7.6
233.13289	8.1
235.14799	15.0
237.16478	9.8
243.11517	5.8
247.14871	9.1
249.16362	17.9
250.17358	5.9
251.17972	9.4
253.15997	6.9
261.16266	6.9
263.17923	8.8
265.15967	7.1
267.17535	6.9
269.18921	7.2
285.05252	5.5
347.23828	28.0
365.24750	100.0
366.25064	6.8
384.52753	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	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	19.0
57.07063	3.8
64.83305	2.2
65.03943	3.0
67.05506	35.6
68.05838	7.0
69.03413	6.1
69.07070	17.4
69.46459	11.6
69.46875	8.7
71.04961	2.9
79.05493	29.9
80.05827	3.0
81.07056	35.4
82.07374	4.8
83.04990	3.6
83.08596	6.1
85.06540	7.8
91.05481	31.3
93.07047	38.4
94.07371	6.0
95.04974	36.7
95.08600	36.4
96.08939	5.0
97.06517	6.4
97.10184	3.3
105.07031	36.4
107.08598	30.0
109.06525	10.0
109.10152	17.4
115.05502	3.2
117.07038	11.4
119.08583	40.1
121.06495	5.4
121.10160	11.5
123.08074	5.8
124.75664	3.0
128.06195	9.6
129.07001	11.3
131.08603	19.1
133.10117	18.8
135.08069	15.1
135.11702	10.1
141.06976	5.2
142.07793	16.7
143.08572	30.9
144.09309	7.9
145.10133	29.5
147.08012	5.7
147.11690	4.7
149.09537	3.4
155.08540	13.3
156.09366	15.4
157.10126	49.9
158.10898	3.8
159.08060	3.3
159.11696	31.3
159.43512	2.6
160.28912	3.2
161.09641	6.9
161.13225	6.2
165.07005	5.4
166.07777	2.4
167.08574	10.1
168.09366	6.8
169.10097	18.9
170.10881	14.6
171.11653	18.4
172.12383	3.8
173.09583	7.3
173.13281	11.6
175.11171	6.0
179.08597	8.6
180.09367	6.3
181.10057	15.1
182.10922	10.8
182.43207	2.6
183.11688	22.9
184.12512	5.8
185.13254	51.7
187.11205	10.8
187.14822	11.0
188.53937	2.6
189.12656	4.9
191.08578	2.9
192.09265	4.4
193.10193	15.2
194.10881	8.3
195.11691	27.1
196.12387	7.7
197.13277	16.8
199.11362	3.5
199.14787	3.1
201.12602	2.5
201.16423	3.3
205.15848	6.7
206.10875	5.6
207.11627	18.0
208.12453	9.8
209.13268	20.7
210.14040	6.3
211.11295	4.1
211.14824	5.6
213.12689	6.3
219.11681	8.0
220.12450	6.1
221.13274	19.7
222.14043	5.1
223.10994	2.6
223.14796	18.1
224.15514	3.3
225.12744	3.6
225.16292	3.5
231.11848	3.0
232.12402	3.7
233.13258	8.6
234.13893	4.5
235.14764	8.4
237.16382	15.7
238.17180	5.8
245.13303	4.6
247.14833	5.9
249.16417	10.6
251.17990	9.9
256.18304	4.3
258.13983	3.4
259.14880	3.2
260.82156	2.5
261.16470	3.6
263.14276	3.0
263.17981	10.8
264.18451	2.8
265.15997	4.2
265.19485	5.8
267.17453	4.6
268.45340	2.7
269.19070	4.0
274.17120	3.1
277.15973	4.7
277.19455	3.0
279.17426	3.3
281.19086	3.0
282.19803	3.0
289.19440	6.1
291.17404	7.0
306.25073	29.4
307.20609	3.7
309.18484	5.5
314.20511	3.0
347.23669	29.1
348.23920	3.4
353.84964	2.8
365.24750	100.0
365.32147	35.5
366.25070	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	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.05521	14.7
56.76677	3.0
57.03412	3.2
57.07070	6.8
60.04529	22.2
65.03931	4.5
67.05502	29.4
69.03425	8.6
69.07073	17.0
70.06589	3.7
70.18034	11.4
71.03147	2.8
79.05503	25.5
81.07059	30.5
83.04984	8.0
83.08610	7.0
85.06544	4.5
88.03993	11.5
91.05492	33.5
93.07047	37.3
95.04979	50.6
95.08615	30.2
97.06509	7.1
98.20813	3.8
98.21353	4.6
105.07040	46.8
106.05037	31.9
107.08598	25.1
109.06512	9.2
109.10150	20.1
115.05499	3.4
117.07012	13.0
119.08588	42.8
121.06554	3.4
121.10145	26.6
123.08043	8.0
123.11711	6.2
128.06215	8.6
129.06998	12.0
130.06541	20.3
130.07751	5.7
131.08569	27.3
133.06499	3.3
133.10135	23.4
135.08029	5.7
135.11710	5.9
139.11247	3.7
141.06979	7.1
142.07756	16.9
143.08548	24.9
144.09312	7.1
145.10132	25.0
147.08076	17.4
147.11687	11.8
149.09683	5.3
149.13344	3.4
153.06995	4.3
154.07777	5.1
155.08553	17.1
156.09335	15.9
157.10138	34.1
158.10881	6.9
159.08025	4.4
159.11684	18.2
160.08846	3.4
161.09642	9.5
161.13289	3.4
165.07008	7.8
167.08578	9.0
167.10695	4.5
168.09433	8.2
169.10138	23.7
170.10902	8.7
171.11719	22.5
172.12564	3.4
173.09702	5.5
173.13295	21.9
175.11174	4.9
175.14839	3.5
178.92685	2.9
179.08598	13.8
180.09367	5.9
181.10097	18.5
182.10907	9.8
183.11711	23.0
185.13274	11.9
187.11241	5.9
192.09421	10.5
193.10150	24.5
194.10912	11.8
195.11682	26.9
196.12439	5.2
196.88133	3.2
197.13338	18.2
199.11143	4.7
199.14804	8.4
201.12746	4.0
205.10147	6.4
206.10953	11.2
207.11699	27.7
208.12469	11.9
209.09677	3.7
209.13330	18.5
210.14009	4.1
211.11148	6.8
211.14894	9.3
213.12691	3.5
217.10185	4.6
217.15836	5.7
219.11652	9.2
220.12497	6.5
221.13249	21.6
222.14030	6.0
223.11243	4.4
223.14912	12.7
225.12782	9.0
227.14413	4.0
230.11028	3.1
231.11736	5.1
232.12483	5.8
233.13321	10.5
234.14043	6.3
235.14761	13.7
236.16286	5.6
237.12846	4.0
237.16440	6.5
239.14326	6.5
239.17863	5.1
247.14871	11.3
248.15746	4.6
249.12602	4.1
249.16451	13.8
251.18040	8.0
253.15953	4.9
253.19293	3.0
255.17480	4.8
258.13998	5.3
259.14764	7.5
261.16589	5.0
263.14426	3.2
263.17938	10.3
264.18781	4.3
265.15918	7.5
267.17480	7.1
273.16342	5.6
273.21304	3.0
274.17157	4.4
277.16101	4.6
281.19031	6.7
291.17432	9.0
309.18503	4.8
319.24197	3.9
329.22665	4.8
337.25375	4.5
347.23663	35.3
365.14450	5.0
365.24753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56374	1.3
53.03937	3.4
55.01877	10.7
55.05265	2.0
55.05514	34.7
57.03437	15.1
57.07076	1.7
65.03922	1.7
67.05508	48.7
69.03432	14.6
69.07071	45.2
69.56169	2.7
69.56570	8.9
71.04997	1.9
71.08600	1.3
79.05494	41.4
81.03417	8.2
81.07059	37.5
83.04971	7.9
83.08618	11.2
85.06517	2.3
91.04961	2.6
91.05482	31.5
93.07050	33.0
95.04972	13.8
95.08611	19.1
97.02897	19.5
97.06510	4.1
97.10169	17.2
104.55716	1.4
105.07025	25.8
107.04959	11.9
107.08592	24.1
109.06511	5.6
109.10155	17.0
111.04473	1.5
111.08081	3.8
115.05433	2.7
117.07025	10.7
119.08582	17.6
121.06515	5.0
121.10165	8.6
123.08067	6.4
125.09630	14.3
129.07013	6.0
130.07785	1.4
131.08575	14.2
133.06508	5.6
133.10124	16.4
135.08081	8.1
135.11703	5.5
137.09612	6.2
143.08537	6.8
145.10115	9.7
147.08089	8.4
147.11699	4.5
149.09613	5.0
149.13235	2.2
151.11176	5.9
153.09137	1.5
157.10115	6.6
159.08134	1.6
159.11694	5.1
161.09584	7.2
163.11185	2.3
165.09148	1.8
169.10121	2.4
171.11674	4.2
173.13281	1.9
175.11258	2.9
177.12756	2.3
185.13248	1.4
187.11203	1.6
189.11288	8.3
189.12715	2.7
195.13736	1.8
205.12244	2.9
223.13298	31.5
227.17931	2.5
245.19020	3.9
253.14169	1.8
255.17365	3.1
263.20251	3.7
273.18549	23.5
291.19547	100.0
292.20020	2.0
320.30112	1.5
347.12903	1.7
347.22345	3.3
365.23230	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.8
55.01872	14.7
55.05510	29.4
57.03438	25.9
62.43395	2.6
65.03947	4.8
67.05505	58.8
69.03421	7.8
69.06716	3.0
69.07065	33.1
70.06538	3.5
70.39016	7.4
71.04980	7.0
72.93728	2.1
79.05490	58.3
81.03422	7.8
81.06577	4.2
81.07056	82.3
83.04974	11.2
83.08618	13.6
84.08133	2.6
85.06548	4.8
89.85854	2.2
90.94804	3.0
91.05476	54.2
93.06464	3.5
93.07051	55.5
94.06578	2.7
95.04969	30.3
95.08604	34.9
97.06536	15.2
97.10182	12.4
98.21174	5.2
99.08086	6.2
105.07037	41.3
107.04964	22.4
107.08593	32.8
108.08130	32.8
109.06524	26.5
109.10150	16.2
110.09671	3.7
111.04408	3.3
111.08064	6.4
113.06010	7.4
115.05463	4.0
116.50515	2.2
117.07031	27.8
118.06546	20.6
119.04922	3.4
119.08587	40.5
121.06490	14.5
121.10138	17.1
123.08070	27.2
123.11798	3.1
125.09637	16.1
129.06995	12.6
130.06554	13.2
130.07631	2.2
131.08571	21.6
133.06493	8.3
133.10109	16.6
135.08070	24.4
135.11699	8.4
137.05899	3.6
137.09630	9.7
143.08545	10.8
144.08066	6.3
145.06468	4.3
145.10124	20.5
146.06023	37.4
147.08041	20.1
147.11656	8.9
149.09657	16.3
149.13205	2.8
151.07547	3.2
153.12724	3.5
155.08539	5.7
157.10139	16.5
159.08040	8.0
159.11705	11.1
161.09636	23.5
161.13263	4.7
163.11150	13.3
165.09114	7.1
166.08655	5.6
169.10103	5.1
170.06079	3.0
171.11725	10.5
173.09608	3.8
173.13245	4.2
175.11211	11.3
177.12769	4.6
178.15941	33.3
183.11728	4.4
185.13240	5.8
187.11200	4.5
187.14999	2.7
188.07068	27.3
189.11168	11.7
189.12791	7.8
195.13799	3.1
201.12828	3.9
205.12289	4.3
217.15968	4.2
223.13319	5.0
227.12830	3.8
227.17940	6.1
236.16440	7.5
237.16472	3.2
245.19049	7.3
255.17480	8.8
263.20053	4.3
273.18497	100.0
291.19525	42.7
347.12900	3.3
347.22171	6.6
365.14786	5.0
365.19247	16.5
365.23056	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.9
55.01873	11.4
55.05517	45.9
56.96560	12.6
57.03431	16.3
67.05508	51.7
69.03432	6.8
69.07072	29.8
70.06596	6.0
70.86486	7.9
71.04986	4.5
79.05492	74.5
81.03419	3.8
81.07057	77.2
83.04998	10.6
83.08620	15.1
84.08171	4.3
85.06546	4.9
86.58192	4.0
91.05484	100.0
93.07040	68.6
95.04972	16.3
95.08608	40.8
97.06512	12.1
97.10159	7.2
98.21258	4.2
103.05489	4.4
105.07037	69.7
107.04982	12.1
107.08591	36.8
109.06508	16.0
109.10165	12.6
111.08064	5.5
115.05450	8.9
116.06240	4.2
117.07030	46.5
119.08582	46.4
121.06508	12.2
121.10123	22.1
123.04410	3.0
123.08056	17.0
125.05904	4.1
125.09672	6.5
128.06271	25.1
129.07016	32.5
130.06522	11.5
130.07817	6.6
131.08571	87.7
133.06496	12.4
133.10129	28.8
135.08066	13.0
135.11696	6.7
137.09634	4.9
139.11185	4.3
141.07016	10.7
142.07849	6.0
143.08563	88.8
145.06480	6.0
145.10127	87.5
147.08063	13.9
147.11711	10.6
149.09625	11.8
149.13200	3.9
153.09128	3.3
155.08626	8.7
157.10139	26.2
159.08151	3.8
159.11703	20.5
161.09636	15.6
163.11209	6.8
169.10123	17.3
171.11708	23.2
173.09612	5.3
173.13283	5.7
175.11171	10.1
181.10147	11.9
183.11678	11.3
185.13293	10.0
187.11182	7.8
195.11707	15.9
199.11237	4.4
203.05843	4.6
213.12712	6.0
227.17894	10.0
231.13695	6.8
237.16394	17.7
245.19037	9.0
253.10951	4.4
255.08928	3.7
255.17537	20.5
267.08951	7.8
273.18527	60.3
285.10104	14.6
291.19534	10.9
347.15292	11.9
347.22153	19.8
365.15717	7.8
365.19501	10.1
365.23358	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.6
55.01867	8.9
55.05513	55.1
57.03437	13.2
65.03923	5.4
67.05507	65.2
69.03440	8.7
69.07069	21.2
70.06573	9.6
71.04993	7.2
71.19800	8.1
79.05493	57.2
81.07060	67.9
83.04971	9.3
83.08629	9.3
85.06540	5.1
91.05487	100.0
93.07055	53.2
95.04978	17.3
95.08607	43.6
97.06506	6.9
97.10183	9.6
98.20937	5.2
105.07034	73.4
107.04964	13.7
107.08616	43.0
109.06513	14.7
109.10188	9.9
111.08081	5.7
115.05450	5.1
115.78954	3.6
116.06257	5.9
117.07010	42.0
119.08593	44.4
120.97940	4.1
121.06514	9.0
121.10148	17.0
123.08091	11.1
125.09686	11.9
128.06224	17.6
129.07022	39.5
130.06525	33.7
130.07813	9.7
131.08578	87.9
133.06516	7.8
133.10114	25.3
135.08075	20.1
135.11726	7.6
137.09657	4.8
141.06981	11.5
142.07762	5.1
143.08559	94.6
145.10114	82.6
147.08057	11.8
147.11703	12.1
149.09639	14.4
155.08565	15.3
157.10144	32.6
159.08064	6.8
159.11720	15.8
161.09584	21.5
163.11220	5.3
169.10112	15.2
171.11641	19.8
173.13277	5.8
175.11205	11.0
177.12875	4.2
181.10161	12.1
183.11723	9.2
185.13226	9.5
189.12813	5.6
195.11725	27.6
199.14977	4.6
201.12798	6.4
209.13055	6.2
213.12775	5.9
227.18030	8.0
237.16374	15.3
245.18877	9.3
255.17435	19.4
273.18469	66.6
284.12976	5.0
291.19452	5.2
322.59229	4.6
347.22171	14.5
365.14276	6.9
365.23276	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34420	0.9
52.37434	1.0
53.03940	4.4
55.01865	1.8
55.05260	1.9
55.05514	26.9
57.07082	1.4
60.08160	3.3
65.03938	2.9
67.05509	54.6
69.06724	1.6
69.07074	25.0
71.04990	1.4
71.10797	1.9
73.02934	1.3
76.64026	1.0
79.05496	37.3
81.07059	50.0
83.04992	1.5
83.08617	8.1
85.06530	2.3
91.05489	13.9
93.07051	40.1
94.76641	1.0
95.04972	4.1
95.08609	31.3
97.10179	2.6
98.21104	1.4
99.04449	3.6
105.07043	7.8
107.08598	18.9
109.10173	10.4
111.08128	1.1
117.07048	2.0
119.08588	6.1
121.10148	13.6
123.11710	3.5
128.49318	0.9
131.08612	1.5
133.10121	4.1
135.11697	7.1
145.10126	1.5
147.11693	1.8
149.13269	5.0
161.13242	1.6
163.14812	1.5
236.31932	1.0
300.92767	1.1
305.24771	84.0
306.25107	2.1
339.99121	1.1
349.49826	1.0
364.32108	100.0
365.32544	2.2
367.24228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.231
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
50.75183	1.8
53.03947	2.7
53.13781	2.3
55.01851	4.1
55.05495	9.2
55.53479	2.2
56.96547	2.6
57.03440	16.8
57.07073	2.4
61.29273	2.6
65.03936	2.6
67.05516	23.3
69.03436	2.6
69.07053	7.8
70.73417	3.4
79.05502	21.0
81.03378	2.8
81.07056	22.6
82.00484	2.3
83.08594	2.5
85.06526	8.7
86.51463	2.1
91.05479	18.1
93.07054	14.8
95.04984	17.9
95.08620	11.7
97.02869	3.3
105.07040	14.9
107.04932	3.5
107.08588	10.4
109.06523	15.6
109.10151	7.6
111.04448	2.7
113.06015	22.7
116.61736	2.3
117.06993	5.6
119.08569	8.5
121.10149	6.4
129.06979	3.0
130.06485	3.3
131.08586	11.6
133.06410	2.8
133.10136	8.3
135.08047	10.0
135.11708	3.4
143.08510	2.8
145.10091	8.8
147.08028	5.9
147.11679	4.9
151.11186	2.5
157.10139	4.8
159.11722	3.4
161.09679	4.0
177.12718	2.6
217.15771	4.4
247.23267	2.1
248.63583	2.4
252.75743	2.5
272.54230	2.2
273.18549	16.7
284.12735	8.7
291.19537	11.8
308.59879	2.6
365.15915	3.8
365.22998	100.0
366.23053	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	363.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97264	0.2
62.43161	0.2
64.45433	0.2
66.74754	0.2
69.58225	1.6
69.80659	0.2
79.05515	0.2
81.07036	0.4
91.05492	1.3
93.07056	0.2
95.04939	0.3
98.21469	0.5
103.05415	0.3
104.16073	0.2
115.05469	1.0
117.05753	0.4
117.07014	1.9
118.06542	31.1
119.06822	0.3
130.06485	1.1
131.08499	0.3
132.08089	2.7
133.08896	1.2
134.09660	0.5
134.75467	0.3
142.06508	2.2
143.07289	3.0
144.04407	0.3
144.08089	10.9
145.06587	0.3
146.06010	43.6
146.09610	1.7
147.06346	0.7
147.10442	0.4
150.09137	0.2
155.06059	0.3
160.07547	0.4
160.11229	0.2
170.06036	4.5
176.14351	100.0
177.14665	1.8
188.07068	31.1
189.07396	0.6
190.27870	0.3
207.01453	0.2
212.11906	0.2
216.13829	1.2
217.80000	0.2
226.71008	0.2
234.14874	1.6
289.18060	0.3
296.41965	0.3
363.20673	19.8
364.20886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.1
57.07074	7.5
58.99588	17.9
66.81231	1.7
67.05495	3.8
67.31867	1.8
67.69765	1.4
69.03413	7.6
69.07034	1.8
70.73914	3.1
71.08627	18.0
73.01134	1.6
76.02229	79.1
76.03989	5.7
76.27760	1.6
79.05498	10.1
81.07069	9.5
83.04958	2.9
84.62239	1.5
85.06534	2.8
86.99063	4.3
88.02165	2.8
91.05456	6.5
93.07037	21.6
95.04959	2.0
95.08614	3.0
97.02902	28.2
97.06522	2.7
99.02666	2.9
99.08097	17.9
100.02191	6.6
105.07022	4.1
107.04960	2.2
107.08601	2.5
111.04430	10.5
113.05993	7.7
115.04010	1.6
116.01682	31.3
119.08546	1.6
121.06520	12.9
121.10135	26.4
122.10468	1.7
125.04209	3.6
125.05997	3.6
128.01660	11.5
129.06929	1.8
130.04906	2.9
131.08569	28.6
136.06187	28.7
139.11166	2.8
144.01147	16.3
149.09631	44.8
162.02202	50.9
167.10680	73.2
171.08377	2.9
179.04855	100.0
181.17963	1.8
185.11749	14.8
189.09467	4.8
203.04840	8.5
217.08890	8.6
218.00510	1.6
224.11060	11.9
242.12091	5.4
252.10536	4.7
327.13754	33.3
345.14777	60.5
364.19647	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	363.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	14.8
58.99860	4.1
61.02917	10.4
66.96943	3.6
70.54009	5.4
70.98107	4.9
75.77682	2.9
77.00893	4.4
80.44339	2.8
84.08141	6.6
88.99163	4.7
91.05475	9.8
98.20838	4.1
98.21395	5.9
98.97569	10.7
101.00884	34.7
103.02451	14.3
113.00878	8.7
115.02440	14.8
116.98615	4.8
119.01923	100.0
119.04947	19.7
121.01602	4.9
121.03487	10.5
123.01383	3.7
127.02428	6.3
128.98468	3.5
131.01900	52.6
133.03479	42.6
134.04581	3.6
137.03006	15.0
141.01292	6.6
142.03448	3.9
142.96495	4.1
143.01889	10.7
144.99832	7.1
145.03476	64.0
146.99702	5.1
147.01373	13.9
147.03230	7.3
147.04385	78.9
149.01175	4.0
149.02927	20.1
150.01782	5.1
155.01877	20.4
157.02437	5.7
157.03629	6.6
159.01382	5.2
159.05110	5.8
161.02982	19.2
163.01038	3.3
163.04456	11.1
165.00677	3.7
167.01871	3.2
168.99858	9.2
171.01407	18.5
172.99313	7.9
173.02963	54.2
174.99155	8.9
175.00851	9.2
175.04544	9.7
177.00829	3.3
177.02364	4.7
183.01306	4.2
185.02966	13.6
186.33778	3.3
187.00894	18.2
187.04442	5.3
189.00842	5.9
189.02440	32.8
189.15996	7.5
190.98785	3.5
191.00404	7.7
191.03983	11.6
193.00197	11.7
193.01895	6.0
199.00842	24.5
201.02383	11.0
203.04028	13.5
205.01762	9.4
205.03539	6.7
207.01656	7.4
207.03534	6.8
210.02548	3.7
212.02606	3.4
215.00366	14.8
215.03883	5.1
216.94908	3.8
217.00160	3.2
217.01952	79.8
219.03508	6.7
223.04527	13.5
226.02292	12.6
229.01961	10.6
231.03510	10.6
235.03012	33.0
235.06688	12.4
241.01927	5.2
242.03636	11.4
242.99829	9.4
245.01581	6.0
247.02699	15.8
253.07747	10.2
259.04691	5.1
261.92673	6.1
273.01041	5.8
273.04385	4.1
275.04135	4.5
283.06616	4.8
287.02420	5.0
290.35181	3.4
291.05551	8.0
301.04056	12.8
303.02045	15.3
303.05716	17.1
304.05707	3.5
313.00372	3.4
315.02100	4.8
319.05142	11.1
329.40497	3.2
331.01376	3.4
331.05075	43.7
345.03052	9.2
363.03613	9.7
363.07632	15.7
363.10818	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	362.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.4
62.06077	21.6
67.05494	14.6
69.07050	13.1
70.06587	17.8
70.79482	7.5
70.79824	11.9
71.08628	9.0
72.08145	7.6
73.02427	5.0
74.06055	6.6
79.05473	21.4
81.07050	36.9
83.06087	14.7
83.08611	6.9
84.04476	12.2
84.08163	6.6
85.02917	5.7
86.00636	8.1
86.09734	6.9
91.05471	18.6
93.07030	21.3
95.04940	8.8
95.08597	19.5
97.06523	27.0
98.21262	8.0
105.07027	13.1
107.08580	25.5
109.06467	7.5
109.10163	7.5
119.08560	18.9
121.06471	20.4
121.10136	11.5
127.07624	5.8
129.06573	33.4
130.06523	10.8
131.08565	8.9
132.95833	7.8
133.10115	9.9
147.11684	11.1
149.13295	9.3
159.09140	7.1
169.65282	6.4
177.05563	6.7
181.12225	15.5
195.13788	15.5
203.11122	8.8
223.13280	100.0
244.77995	6.6
362.09518	13.2
362.19656	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	362.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78046	1.0
55.01869	2.1
55.05499	1.3
62.06062	2.0
64.64037	1.2
67.05507	2.8
68.68369	1.2
69.07063	2.6
69.24415	6.3
69.24838	5.8
70.06583	2.6
78.30796	1.1
79.05106	1.7
79.05492	15.8
81.03423	8.4
81.07063	2.0
84.04500	1.3
84.08147	2.1
85.60625	1.1
91.05495	5.5
93.07035	5.0
95.04980	6.4
98.21105	6.6
100.11246	1.2
100.25316	1.2
100.34396	1.3
102.02750	1.2
105.07021	6.8
107.08603	11.9
108.95823	1.1
117.07047	2.3
119.08586	2.1
121.02878	2.8
121.06481	7.8
123.16628	1.1
123.20343	1.1
129.06972	1.7
130.06517	4.4
131.08575	4.0
132.04451	1.4
132.08092	2.3
133.06517	1.6
133.10130	4.5
143.08556	3.5
145.10127	3.7
147.04391	1.2
149.05984	3.3
154.22925	1.1
155.08524	1.4
157.10117	3.6
158.06009	1.7
158.47824	1.3
159.08060	4.1
159.11703	1.8
161.05975	14.3
161.09624	24.2
167.08549	4.2
169.10147	2.2
171.07980	1.9
173.09578	1.5
174.82462	1.5
175.08672	2.3
178.08620	1.8
180.37846	1.3
183.11719	1.7
185.09622	5.8
195.08051	1.3
197.13211	1.3
200.16466	3.3
207.11700	2.8
211.11192	1.3
225.12712	4.5
230.15393	1.5
231.10065	1.6
232.07826	1.2
235.11128	3.8
237.12764	2.9
248.16086	1.2
249.11203	5.3
253.12302	6.7
271.13266	12.1
281.11725	4.5
299.12796	18.6
317.13861	100.0
345.13321	1.8
362.15964	23.7
362.23395	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	361.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65723	2.8
52.05053	2.6
53.31864	2.2
55.05510	9.9
57.07074	3.2
58.99585	4.2
59.99092	3.2
61.01144	10.0
66.02622	2.5
67.05476	4.4
68.05032	19.3
69.05809	30.5
69.07082	4.6
70.04346	13.7
70.06584	5.2
73.01129	3.6
74.00639	2.7
74.15987	2.4
77.25551	2.3
79.05487	7.8
81.07071	17.8
83.08618	7.6
85.01132	25.0
86.01936	5.0
86.82927	2.6
87.02710	13.9
90.96741	2.8
91.05453	4.1
93.07053	7.2
95.04984	3.2
95.08637	2.7
99.02677	8.0
99.72507	2.9
100.02215	8.1
101.04296	2.7
102.03756	3.4
105.07062	4.4
107.08605	4.4
112.02180	2.9
115.05783	4.2
116.05317	100.0
117.03741	3.4
120.81845	3.1
121.10158	3.1
126.24513	2.5
130.06516	6.8
131.06854	4.5
131.08917	4.2
133.01428	18.5
135.08080	3.8
141.07333	13.9
156.08389	2.8
158.09995	60.5
163.98355	3.5
168.49673	2.8
175.03650	8.9
176.01967	4.5
184.07826	3.8
186.09630	2.8
187.07881	6.2
202.08955	34.8
213.07014	3.1
215.08795	2.8
220.09834	2.5
246.06248	6.6
266.07101	3.1
313.10062	3.3
334.45874	3.1
343.19446	3.4
361.10657	28.6
361.14487	5.1
361.19943	3.5
361.24072	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	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	46.9
63.08283	12.6
67.05509	62.5
67.68260	14.5
69.07057	31.0
70.27132	34.4
70.27532	28.6
71.05000	67.7
75.18909	11.7
79.05491	77.6
81.07059	39.9
83.08618	19.2
84.08144	15.1
86.09701	18.8
87.08141	12.6
91.05473	46.0
93.07043	80.4
95.08581	22.1
97.06518	20.7
98.20789	16.0
107.08588	43.6
107.50415	11.7
109.10144	57.8
121.10157	44.8
130.06517	22.4
135.12756	12.4
153.12752	39.8
155.10600	17.5
156.08113	27.9
173.11752	100.0
189.11215	21.1
275.19989	42.5
290.21439	13.5
332.50128	13.6
360.14212	16.9
360.22162	20.2
360.28809	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	360.2127
Annotation	Leu Ile Asp
Peak:m/z	Relative Intensity
55.57998	0.6
56.96561	1.7
69.07072	4.6
69.73329	0.6
70.06586	4.0
71.36683	0.8
71.37004	0.5
72.08160	3.5
72.85229	0.5
80.05010	0.8
84.04505	2.3
84.08142	4.8
85.02895	1.7
86.09705	100.0
87.10032	1.6
88.03986	1.0
91.05492	0.8
98.21178	0.7
103.05458	1.3
110.07188	1.6
120.08118	0.8
129.10216	3.7
130.06554	0.9
130.10567	1.1
131.04930	4.0
135.04471	1.1
145.02831	1.2
151.07506	1.3
163.03914	5.8
163.07594	1.8
180.01941	0.8
181.04977	1.8
183.10272	0.8
189.26060	0.6
199.18063	28.5
200.18324	1.0
211.25500	0.5
223.07562	0.9
226.02510	0.7
227.17532	8.9
228.17891	0.7
239.02336	1.8
247.12894	3.7
257.03372	1.5
292.02933	0.5
360.20218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1916
Annotation	CHEMBL1807682
Peak:m/z	Relative Intensity
69.07060	3.8
69.94899	3.1
73.34366	0.7
79.05485	2.4
80.54485	0.7
81.07064	1.1
83.05036	0.8
86.09707	34.5
86.10241	1.8
91.05478	2.4
93.07053	4.6
95.08657	0.8
105.07034	7.5
107.08574	6.9
115.05447	1.1
117.07011	1.5
118.06532	14.7
119.08582	2.1
121.06503	3.5
121.10128	2.5
128.10716	19.0
130.06548	1.4
132.08107	5.4
135.08041	2.1
135.11673	1.6
142.06535	2.2
143.07280	1.4
144.08095	9.5
145.10138	6.1
146.06003	48.3
147.11716	0.9
149.09621	1.9
155.06024	1.0
156.10190	2.0
159.09187	13.3
160.07503	1.2
163.11201	13.6
170.06032	3.5
181.12224	1.9
188.07066	100.0
191.10648	13.3
201.41588	0.8
202.08652	1.7
205.09723	32.4
209.11803	3.7
227.12665	1.1
342.20602	3.2
360.21695	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	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	2.2
61.01136	1.8
69.03431	1.0
70.06590	23.9
71.23086	1.7
72.08158	3.5
79.05450	1.0
81.03391	1.0
81.07066	1.0
83.82995	0.9
84.04484	3.0
84.08115	3.1
85.02888	3.3
86.09689	8.7
95.04958	1.4
97.02885	1.9
104.05347	2.7
116.07079	1.2
118.97288	0.9
120.08108	2.5
121.02872	2.7
132.10164	1.0
133.02893	1.4
135.04457	2.0
137.05971	2.4
138.06339	1.6
144.06683	1.0
145.05005	1.1
149.02344	100.0
160.33693	0.9
163.03906	67.9
167.03233	1.2
176.15228	0.9
180.08594	1.4
181.04953	29.1
213.12335	1.7
215.64684	1.0
229.11859	1.8
229.15501	8.0
258.15347	1.1
316.86798	1.0
342.18860	1.0
360.19730	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01859	1.0
55.05502	2.7
55.96020	0.7
56.05029	3.1
56.96550	1.7
57.03437	1.0
58.02679	0.7
61.02909	1.2
66.32540	0.7
67.05495	4.4
68.05043	0.9
69.03421	1.7
69.07064	1.3
70.02942	0.9
70.06593	27.1
71.57843	1.4
72.08145	5.4
76.04012	6.3
79.05493	3.3
80.05014	0.8
81.03418	19.8
81.07050	3.0
83.04951	1.1
83.08601	3.9
84.04508	4.2
84.08139	3.0
85.02905	5.1
86.09703	7.8
87.93066	0.8
88.03959	1.0
91.05476	4.4
93.07052	2.8
94.06568	1.1
95.04968	6.0
95.08598	1.7
97.02880	2.7
98.06050	1.4
102.05515	1.2
103.02052	0.6
105.07014	3.2
107.04941	3.0
107.08569	1.1
109.06503	0.8
110.07124	1.0
111.08080	2.0
112.02176	0.9
113.78602	0.7
114.05540	0.8
115.05437	0.8
116.07090	4.5
117.06999	1.8
119.04913	0.8
119.08591	2.4
120.08103	6.6
121.10146	2.4
123.04431	100.0
124.04766	1.2
127.03915	1.1
128.06233	0.8
128.98627	0.7
129.06999	2.2
129.10254	1.0
130.04990	1.1
130.99304	0.6
131.04904	0.8
131.08577	2.0
133.10165	0.8
135.08084	2.9
137.05977	0.8
145.04996	0.9
145.06519	2.7
147.04492	0.7
147.11719	1.6
149.09660	1.6
150.12758	1.3
157.10153	2.1
163.07541	28.8
168.13818	0.9
175.11221	2.6
181.08604	6.1
193.12250	22.8
196.13354	5.0
211.13266	2.1
213.04254	0.8
213.12361	4.5
217.13388	4.6
224.12996	1.1
229.11887	1.2
231.13382	1.1
239.02232	1.5
240.16127	1.0
245.12761	3.5
247.11150	1.4
249.14847	0.8
257.03345	1.0
267.15948	10.1
273.53110	0.7
285.16919	8.2
298.16452	1.4
316.17566	1.4
342.19177	1.3
360.15256	1.4
360.20078	4.2
380.05276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1051
Annotation	4-ADNT glucoside
Peak:m/z	Relative Intensity
69.07035	1.2
69.81668	2.5
69.82060	1.9
70.06586	2.6
72.08133	1.8
77.72964	0.9
79.05515	0.9
81.07050	2.2
84.08151	1.0
86.09704	8.8
91.05476	1.4
95.08649	1.2
98.21120	3.3
105.07053	1.6
114.05524	1.0
120.08106	1.6
126.15945	0.9
130.04959	1.0
130.06523	7.2
132.10220	1.1
174.92590	1.0
177.05826	1.0
193.12268	1.2
195.02686	2.8
199.02150	7.8
201.12378	4.3
211.13385	1.6
213.03734	8.0
229.03201	3.5
231.04752	29.2
250.98181	1.0
252.19601	2.6
270.20731	6.2
276.70685	0.9
280.18246	1.0
284.18655	1.4
300.08411	2.6
316.21252	3.9
332.19775	1.4
342.05643	1.6
342.09525	19.4
360.10513	100.0
361.10760	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	360.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	2.6
56.58506	2.4
56.93228	2.2
56.96561	20.6
62.09285	2.5
65.02253	2.6
70.06591	15.7
71.57839	2.7
72.08147	9.9
75.98733	2.4
81.07072	2.8
82.06583	3.7
84.04460	2.4
84.08142	21.1
86.09705	29.0
87.05595	3.1
88.03981	4.8
89.03901	6.9
98.97585	9.4
102.05522	2.3
107.04938	3.1
110.07166	4.3
110.97585	3.8
116.07026	3.0
116.98601	5.9
117.03384	9.6
128.98570	3.8
129.10205	8.4
131.01857	3.2
133.06030	3.2
134.36069	2.8
134.99681	4.8
135.04399	24.7
141.10191	3.2
145.01773	3.3
145.02811	14.0
146.99692	6.9
147.04396	8.4
147.11255	2.7
149.06540	3.8
155.11755	3.0
163.03911	100.0
164.04135	3.7
166.07251	7.5
175.11992	3.4
183.11275	2.9
190.95386	2.4
193.03491	8.6
195.03302	2.8
200.13956	11.5
202.09299	5.0
209.02892	3.2
211.04568	2.7
213.04347	3.6
214.21957	3.4
220.10257	6.3
221.02982	72.6
221.05092	4.1
223.92960	3.4
224.93747	3.3
227.04149	3.6
239.01918	14.4
239.04057	11.9
247.04546	5.9
257.03149	13.5
258.01273	3.0
260.09927	11.7
261.02945	3.8
275.04056	24.7
293.05429	15.9
311.06067	7.8
337.04074	5.5
355.02432	3.5
360.19913	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	359.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.6
55.69766	0.5
56.05033	1.6
57.05820	0.5
66.33881	0.4
66.63477	0.5
69.07059	0.9
69.53568	3.7
70.06591	3.3
72.08160	42.2
81.03397	0.6
83.06111	10.9
84.04511	11.4
84.08149	2.3
86.09711	100.0
88.04003	0.4
101.07149	2.7
103.05447	0.4
112.08772	0.7
115.08720	0.6
116.07076	0.6
118.08663	3.3
120.08076	0.6
129.06641	1.7
129.10248	4.8
131.04945	1.0
132.10211	9.7
133.02853	0.6
134.03627	1.1
137.06009	1.0
138.09142	4.4
141.30460	0.6
143.11804	14.6
151.03964	1.0
155.11812	1.5
157.09731	5.5
157.13358	0.7
162.03143	7.6
163.03850	0.8
171.11282	8.0
179.01544	0.7
179.06895	0.6
182.12912	8.3
183.11307	9.7
185.12859	0.9
196.14485	2.2
197.08072	0.6
197.12903	1.7
199.18077	0.6
200.13976	4.6
203.13933	11.8
210.12340	3.2
211.10815	1.4
214.15569	1.2
224.13979	1.1
225.02295	1.3
225.12411	0.7
225.15964	2.6
228.13503	1.9
229.11583	0.6
242.15021	1.2
242.18703	0.7
247.86061	0.5
260.16098	3.5
270.18158	6.6
275.77362	0.5
341.21841	8.2
342.20074	0.5
359.23138	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81030	1.2
55.05515	6.4
56.05028	1.8
56.96556	2.4
60.08176	1.1
69.03410	1.8
70.06592	12.4
71.57504	1.6
72.04508	1.4
72.08155	65.8
74.09988	0.9
79.05465	1.2
82.06572	1.4
83.06129	1.2
84.04504	39.5
84.08115	5.7
85.02899	1.7
86.09708	69.7
89.03873	1.0
98.97525	1.1
101.07141	6.1
110.07149	3.7
113.78732	1.0
116.07107	1.3
128.53975	1.0
129.10255	2.5
130.05003	68.8
130.08606	1.5
133.02841	2.3
135.04422	2.0
147.07645	100.0
152.07057	1.2
161.02324	2.4
162.77409	1.1
163.03914	6.5
175.11909	1.7
179.03600	1.5
181.07339	1.5
182.29890	1.0
185.16487	27.7
196.03764	2.4
197.04060	1.9
213.16022	9.4
214.05309	1.9
215.14000	1.9
221.02975	4.9
242.96310	1.9
257.03235	1.2
258.75156	1.1
260.16061	14.4
260.97485	4.4
261.12695	4.2
282.63565	1.1
286.98950	1.5
310.04675	1.4
334.72946	1.1
341.17596	1.2
346.68497	1.0
359.09235	4.8
359.19244	2.1
359.23691	5.5
360.08981	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2286
Annotation	Asn Ile Leu
Peak:m/z	Relative Intensity
52.07819	0.9
55.05500	1.0
60.05624	0.8
67.59255	0.8
69.07076	5.4
70.00433	1.2
70.00834	3.2
70.02953	3.7
70.06588	3.1
72.04526	0.8
72.08163	1.1
81.07053	1.0
82.83691	0.8
84.04500	2.9
84.08140	1.8
85.04023	1.8
86.09707	100.0
87.04465	1.4
87.05603	10.3
87.10047	1.1
88.03983	4.0
91.05476	1.3
96.04510	1.1
96.08147	5.1
98.02432	6.4
98.20871	1.2
98.21423	1.0
99.05595	1.8
110.02393	3.7
110.09771	0.9
113.10793	4.6
115.05058	1.1
132.10204	6.6
137.05988	5.9
138.06306	2.6
138.09140	9.1
139.06487	1.3
140.10716	1.2
141.10236	13.8
143.11768	1.5
155.11790	20.8
166.08672	3.6
171.11322	2.5
172.72716	1.0
173.43300	0.9
183.11288	18.1
189.12357	1.4
200.13945	81.7
201.14252	1.4
228.13464	21.4
228.15755	0.8
234.14893	1.2
245.18730	4.0
255.17046	2.5
279.17178	1.7
280.15222	1.0
283.16678	1.4
293.09509	0.8
300.19257	1.1
315.19031	1.4
325.17548	4.8
341.21524	1.7
359.07593	1.6
359.13809	1.1
359.22974	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2283
Annotation	Asn Ile Leu
Peak:m/z	Relative Intensity
55.01894	0.7
55.05511	1.3
56.05026	1.1
67.05510	1.4
69.03423	1.1
69.07072	6.5
70.02953	2.8
70.06593	5.0
71.04977	0.9
71.58201	0.7
72.04516	1.1
72.08150	2.3
79.05488	1.0
81.03449	0.8
81.07060	1.8
84.04514	2.6
84.08146	4.5
85.02903	1.7
85.04023	2.6
86.09708	100.0
87.04473	1.9
87.05599	8.4
88.04004	2.8
88.32193	0.6
91.05476	2.3
93.07050	1.4
95.04971	1.2
95.08619	1.2
96.08138	4.8
97.02905	0.8
98.02417	6.6
98.21024	0.9
99.05597	2.0
105.07026	1.2
107.08604	1.5
107.27628	0.7
108.08150	0.5
109.10177	0.9
110.02412	4.7
110.07172	0.7
110.09700	0.9
112.11219	1.7
113.10787	5.2
115.05035	1.1
119.04942	1.2
119.08493	0.8
120.08097	0.6
121.06483	0.6
122.03650	0.7
124.04045	1.4
124.07604	0.8
127.05127	0.7
129.10262	2.5
130.05011	1.4
130.06583	0.8
132.10214	6.9
133.10164	1.1
137.05994	8.5
138.06325	5.4
138.09140	9.4
139.06544	2.3
141.10234	12.6
143.11810	1.6
147.04443	1.5
148.04716	1.0
149.05856	0.6
149.09497	0.7
151.03885	1.5
155.11800	20.1
161.05934	1.1
166.08617	3.7
171.11325	1.6
175.03970	1.3
176.04242	2.1
182.12915	1.2
183.11311	16.3
187.07501	0.7
187.11023	0.7
189.12317	0.9
200.13951	76.5
201.12408	1.0
201.14259	1.1
207.00314	0.6
207.06580	1.2
208.06859	2.3
209.16557	0.6
211.10831	1.0
212.07396	0.9
213.07590	0.7
219.08292	0.8
228.13446	20.2
229.11818	0.9
234.14877	1.3
245.18639	3.9
247.12796	0.7
255.16986	2.4
258.33347	0.6
279.10184	1.1
279.17035	1.2
280.15402	0.7
283.16498	1.9
296.19727	1.1
297.11548	0.7
300.19244	0.7
311.12695	1.3
312.92105	0.6
313.07120	1.0
315.13422	0.8
315.19330	0.7
325.17587	4.5
329.12885	1.6
341.21838	1.7
342.20322	1.1
359.07681	1.4
359.13629	3.2
359.23492	0.8
359.28705	0.8
360.15344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01858	0.7
55.05489	0.7
57.03424	0.6
61.02916	1.4
66.27937	0.8
67.05482	1.1
68.05021	0.9
69.03423	3.3
69.05784	0.9
69.07073	1.7
69.42181	0.8
69.95058	3.1
70.02950	0.7
70.06573	2.1
71.04970	0.7
71.15156	0.6
72.08149	1.0
73.02912	0.9
79.05481	2.1
81.03420	0.8
81.07035	2.7
84.04485	1.0
84.08131	2.0
85.02904	8.1
86.09707	51.3
87.04459	1.2
87.05576	2.1
91.05468	4.5
93.07047	6.2
95.08621	1.7
95.80170	0.6
97.02856	1.4
98.02400	1.1
98.06091	0.7
104.50325	0.6
105.07043	7.6
107.04988	0.7
107.08599	33.4
108.70670	0.7
109.02887	0.9
109.06511	1.7
109.10153	1.5
110.07166	0.9
112.51611	0.7
113.10815	1.1
115.05039	0.8
116.05267	0.7
117.95746	0.7
118.04920	1.1
119.04955	1.1
119.08597	4.7
121.06516	0.9
121.10142	5.8
123.08048	0.8
123.11659	0.9
127.03893	1.1
129.10190	0.8
131.08482	0.9
132.10196	2.2
133.10135	18.6
135.11729	1.0
136.07542	1.2
137.05946	3.6
137.09604	0.9
138.06306	1.6
138.09132	1.5
141.10257	1.9
143.08554	1.0
143.11794	6.4
149.09641	3.8
151.03877	1.2
151.07549	1.3
151.11200	7.0
155.11816	2.2
160.58887	0.7
161.09628	6.0
167.10677	12.6
171.11281	2.4
179.10678	17.5
179.89507	0.7
183.11285	3.2
184.13277	1.5
189.12375	3.4
197.11740	100.0
197.96989	0.7
198.12097	2.0
200.13939	12.0
201.12343	1.8
208.06764	0.8
228.13434	4.3
323.80289	0.7
341.21942	0.9
359.07382	1.0
359.16965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41936	1.4
53.03909	1.4
55.01873	1.8
55.05497	2.2
55.54510	1.5
56.05030	2.5
56.49364	1.4
57.03408	1.7
61.00516	1.5
69.03434	1.9
69.07039	1.8
70.06593	19.6
71.51955	1.9
72.08159	27.8
74.00654	2.6
76.04006	2.7
79.05482	1.6
81.07045	1.6
84.04509	13.0
84.08143	14.9
85.02888	1.8
86.09699	18.9
91.05471	7.7
93.07041	2.2
95.04954	3.7
95.08648	1.7
100.11207	1.5
103.05469	58.4
105.07003	3.7
107.04870	1.9
110.07156	2.0
119.04964	7.0
120.08065	1.6
122.03648	3.2
123.04387	1.8
129.10219	7.3
130.05006	5.7
130.06516	2.1
131.04929	100.0
133.06517	2.1
135.09175	4.2
137.05963	24.2
140.33682	1.8
143.11861	1.4
145.44513	1.4
147.04419	7.7
147.07729	2.0
149.05980	2.4
151.03896	3.8
151.04994	1.6
161.05988	4.7
163.07550	22.2
170.05992	3.8
173.09187	2.3
175.07532	2.7
179.07008	4.5
184.04295	4.4
187.07516	2.7
193.08702	1.7
197.16499	5.0
205.08495	2.6
219.08083	1.7
359.16891	1.6
380.87631	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01916	2.0
55.05509	7.3
56.05025	2.7
69.68320	13.8
70.06591	12.1
72.08156	53.4
73.02897	4.5
74.06042	2.3
83.06145	11.3
84.04507	12.3
84.08145	10.7
86.09706	100.0
92.10216	2.1
98.20801	2.3
118.08677	3.7
119.04925	2.3
120.08099	5.1
125.06004	5.1
129.10220	14.8
131.04950	2.5
132.10178	7.9
134.03618	3.2
134.10564	2.1
137.05983	7.7
138.09116	3.3
143.11824	12.4
145.02826	2.3
151.03947	18.5
157.09712	4.8
162.03123	23.5
163.07507	2.6
171.11241	6.2
175.07558	4.0
175.10735	3.8
179.01657	4.3
179.07069	6.3
182.12885	7.2
183.11230	7.1
185.12938	2.7
188.54456	2.7
197.08018	10.9
200.13908	5.0
203.13939	8.5
210.12360	2.7
225.02142	5.0
260.16150	3.0
269.65250	2.8
270.18124	4.2
335.37762	2.4
341.21893	6.2
359.22592	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	359.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29794	1.9
52.70953	1.9
53.03947	21.3
53.79317	2.2
55.05515	5.9
57.52621	1.9
58.99586	3.5
61.01130	4.8
65.03929	5.6
67.05495	4.4
68.05025	6.5
69.60144	8.9
69.60567	5.0
70.06590	13.8
70.59655	1.8
71.04980	4.2
76.02256	2.3
79.05496	27.3
80.05012	4.2
81.07056	63.6
83.99083	11.5
85.00636	3.7
85.01129	45.2
86.00651	7.3
87.02699	22.9
91.05480	4.3
93.05772	3.1
93.07047	7.3
94.06572	6.3
95.08625	5.8
96.04485	6.7
97.01136	8.8
98.20922	6.8
99.02665	6.7
100.00940	4.6
100.03476	2.6
101.01724	4.6
101.04234	10.9
105.07025	7.6
107.08542	2.7
109.10162	2.6
109.71307	2.3
110.00645	5.0
111.98570	2.1
112.02191	17.1
113.04213	9.0
115.71633	1.9
116.05313	3.6
117.03716	100.0
118.97173	2.0
121.10136	3.5
122.09665	4.8
129.01210	3.2
129.04787	4.2
131.08601	3.2
139.05782	6.6
143.89275	2.1
147.05493	2.4
151.03275	5.5
153.04802	6.2
154.05568	3.8
154.06747	2.5
156.08403	3.1
169.04300	5.2
169.10048	2.2
174.57674	2.3
179.02737	6.4
181.04295	55.3
183.06096	2.4
185.02126	5.2
186.05705	2.6
187.03630	6.3
194.60869	1.9
199.03694	2.3
207.04262	2.1
209.07404	7.6
213.01552	6.3
215.03036	26.2
227.03105	23.6
243.06227	6.5
245.04121	11.8
248.43549	2.1
261.01843	15.9
261.10547	13.8
267.09750	11.7
279.02878	10.4
290.94904	2.8
293.07797	2.9
295.09305	87.4
307.09210	3.1
325.10336	28.3
341.08084	17.2
359.09174	14.8
359.22006	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	358.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06618	18.3
71.57434	23.3
78.25400	17.1
81.07062	25.2
91.05465	22.7
93.07047	22.8
95.08626	20.4
97.06524	37.7
103.68230	15.3
105.07112	21.0
130.06540	76.0
131.01141	17.2
132.28175	17.7
192.31929	20.3
203.58115	21.7
232.13322	100.0
335.55582	28.6
358.23773	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	358.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59131	4.2
54.14018	3.7
56.96547	14.6
61.84909	3.7
62.82120	4.3
71.57425	6.5
77.62425	4.2
83.72353	4.1
85.75523	4.0
98.21175	5.0
98.97588	77.1
99.53610	4.3
104.39161	3.9
116.98628	66.8
119.01913	8.9
134.99670	31.7
153.00768	7.3
153.19547	4.2
159.20667	4.1
172.94371	14.5
174.97649	10.4
176.70822	4.7
177.00931	11.7
179.00728	7.7
181.80089	4.8
187.52551	4.5
190.95413	14.4
192.98712	10.0
198.91380	3.8
208.96539	7.6
214.95506	11.5
216.98740	37.3
219.01974	16.3
220.02022	4.9
221.01729	7.3
232.96542	55.1
234.96082	7.9
234.99736	62.8
250.93988	4.8
250.97597	30.5
252.97191	8.4
256.96555	24.9
258.99744	17.6
260.99759	4.0
261.03091	21.8
262.03186	13.3
263.03061	17.9
264.03159	7.6
268.94904	6.5
274.97638	75.8
277.00775	30.8
283.00186	5.7
284.99863	6.4
292.95203	8.6
292.98648	16.3
293.95673	7.8
298.97754	63.9
301.01062	5.6
303.00876	11.8
316.94958	37.1
316.98801	100.0
317.02496	6.6
334.96115	34.9
340.98788	46.8
341.02533	6.0
358.96133	6.7
358.99866	98.0
359.03815	8.9
359.99854	7.8
376.97256	16.4
377.01227	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	358.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14448	2.7
55.05488	3.8
58.99582	4.6
67.05500	9.7
69.03423	3.8
69.07069	30.7
70.06573	3.1
71.04988	6.1
71.57827	4.9
73.01134	5.0
76.02203	6.3
77.29395	2.2
79.05477	10.3
81.07065	24.8
84.04527	2.9
85.11703	2.4
86.09737	2.3
86.99039	3.4
87.04474	17.8
88.02230	3.8
88.03983	3.3
91.02165	9.0
91.05475	9.4
93.07066	13.5
93.07558	2.3
95.04983	15.8
95.08594	10.1
97.06529	3.6
100.02171	3.6
101.00574	6.4
101.04268	3.9
105.00058	3.8
105.07021	5.9
107.08607	12.3
109.06494	6.8
109.10175	9.2
115.75375	2.3
117.07024	2.7
119.01639	100.0
119.08575	7.8
120.16930	2.2
121.06469	4.8
121.10112	5.8
122.02731	53.1
123.08070	4.9
123.11686	6.3
130.06474	2.9
131.08595	3.2
133.10161	3.9
135.08055	3.4
135.11674	7.6
137.06000	2.5
143.07028	3.0
144.04761	3.5
145.03151	4.7
145.10083	6.3
145.91740	2.2
146.02631	2.9
147.11664	3.8
149.09557	2.7
149.13214	5.0
159.11656	6.5
161.13231	2.6
163.11165	2.4
166.79372	2.2
172.04254	6.2
173.13197	2.3
177.12639	2.8
190.05359	8.2
191.03757	14.1
201.16402	8.2
208.06352	42.2
219.17439	20.9
251.84766	2.4
322.18350	4.2
340.19272	3.7
341.42670	2.3
358.20404	7.1
359.22031	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	358.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.7
53.87638	4.3
55.01860	9.0
55.05503	20.5
56.05030	11.2
56.90087	4.4
57.03429	12.8
57.07054	4.4
59.03709	4.9
61.01131	8.1
65.03940	6.5
67.05507	54.1
69.03423	16.2
69.07071	28.2
70.06575	16.2
71.04994	51.8
71.58031	7.0
72.08148	14.1
74.06071	20.2
79.05122	4.8
79.05496	58.6
80.05003	17.7
81.03404	17.2
81.07066	68.2
82.06574	7.7
83.04974	8.8
83.08604	7.2
84.04494	13.6
84.08134	11.9
85.06537	9.0
86.09677	19.8
87.04454	7.0
91.05476	67.4
93.05750	5.3
93.07047	49.3
94.06551	19.2
95.04980	22.8
95.08609	23.7
96.04498	4.3
96.08143	5.0
97.06525	16.4
99.04466	31.4
99.08089	5.9
103.05482	10.1
105.07034	90.4
106.06581	6.8
106.08388	4.7
107.04932	11.8
107.08585	29.1
108.08092	9.5
109.06488	15.2
109.10094	6.5
110.06041	5.9
113.06013	8.9
117.07004	14.3
118.06523	11.2
119.08578	65.6
120.08078	17.9
120.08868	7.4
121.06474	10.8
121.10162	8.0
122.06076	6.7
123.08057	29.5
124.02151	8.8
124.07572	5.0
127.07529	6.4
129.06998	18.0
129.55217	4.7
130.06509	7.4
131.08563	31.3
132.08020	5.6
133.06519	6.0
133.10135	68.7
134.06009	4.9
134.09645	5.3
134.13312	4.7
135.07996	10.7
137.05989	16.6
137.09622	5.8
138.06377	11.6
142.07698	6.1
142.08669	7.2
143.07054	6.2
143.08536	23.5
145.10104	13.0
146.11690	5.7
147.08041	37.1
147.11710	23.1
148.11230	11.1
149.09647	6.9
157.10115	12.2
159.08260	14.2
160.11200	5.7
161.09627	100.0
163.11148	12.0
166.12386	7.9
171.11514	6.1
172.13359	8.5
175.11195	17.2
176.10681	13.3
177.09068	9.8
179.10657	13.5
189.09084	17.1
190.12242	10.7
192.13817	7.8
193.12186	14.8
194.08142	10.1
194.11739	16.1
195.10091	9.0
207.10191	54.4
208.13297	12.1
210.14885	15.6
219.95540	4.9
234.09393	7.3
236.12749	23.9
244.17076	7.3
252.10562	14.4
259.06802	5.2
262.18149	12.0
263.16431	7.2
270.11450	5.6
280.11804	88.7
280.19055	21.7
298.12756	12.7
304.13654	6.0
322.14780	9.6
333.44431	4.7
358.15335	23.5
359.19882	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	358.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.8
56.96576	5.1
67.05508	11.2
69.07061	9.1
70.06596	12.7
70.88769	10.2
71.04993	11.8
72.08131	7.1
79.05495	21.5
81.07059	17.0
84.08137	7.6
86.09708	13.6
91.05489	10.5
93.07035	12.8
95.08598	9.5
98.20947	4.5
99.04452	19.9
103.05436	7.6
105.07030	100.0
107.04953	6.0
107.08592	17.3
108.08168	4.8
119.08602	11.3
121.06527	10.5
123.08069	5.6
123.11712	5.2
131.08565	7.1
133.06583	6.2
133.10129	79.8
137.06003	12.3
145.10133	5.8
149.09647	5.5
161.09633	43.3
163.11197	32.8
179.10663	70.4
179.46118	4.2
189.09117	9.5
219.01836	4.0
257.02679	4.6
285.07687	32.7
286.07916	30.9
314.17511	14.1
346.92523	5.6
358.20053	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	357.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.3
55.05515	49.1
56.05846	3.1
57.03445	7.3
57.06828	1.9
57.07080	22.9
59.04998	1.5
65.03930	1.6
67.05176	2.9
67.05512	49.9
69.07075	55.6
69.94805	7.8
70.06596	7.4
71.04987	2.5
71.08633	16.8
75.04490	2.5
79.05495	32.4
81.07063	53.0
83.04967	1.6
83.08625	38.7
85.10195	7.3
88.07638	11.6
89.07943	2.1
91.05481	8.4
93.06470	2.3
93.07050	44.3
95.08614	47.6
97.06541	19.7
97.10175	28.1
98.07992	1.4
98.18755	1.3
99.08070	2.8
102.09195	4.1
103.03914	2.0
105.07033	2.2
106.08662	5.6
107.08593	28.4
109.10162	26.5
111.08083	8.2
111.11739	9.2
118.06541	13.3
119.08569	3.2
121.09310	3.1
121.10153	52.3
123.11733	10.3
125.09645	4.5
125.13240	1.7
129.05511	1.6
129.09087	1.6
130.06535	40.1
131.06839	2.0
133.10158	2.5
135.11696	40.1
137.06006	10.5
137.13255	3.6
139.11148	3.5
139.14796	1.7
143.56776	1.8
147.08208	1.5
149.13266	19.2
151.03940	2.2
151.14818	6.3
153.12747	3.9
161.22606	1.5
163.14836	7.6
165.16411	5.7
167.14429	1.5
177.16405	3.9
191.17967	3.2
195.17386	1.5
226.12234	1.7
228.13875	10.1
247.24240	47.7
265.25272	35.3
327.12344	1.8
339.28958	28.5
339.34558	4.5
357.24484	3.1
357.35556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01859	1.3
55.05265	2.0
55.05513	26.8
56.06846	1.1
57.03421	3.9
57.06816	1.9
57.07077	14.7
62.50652	1.1
64.59115	1.3
65.03921	1.4
67.05170	1.7
67.05505	25.7
69.03415	1.7
69.07066	37.4
70.06599	8.5
70.07385	2.5
70.88158	2.0
70.88470	1.3
71.06942	1.8
71.08634	11.7
73.02876	1.4
79.05127	1.3
79.05495	15.9
80.93784	1.2
81.07058	31.6
83.08214	1.8
83.08629	21.1
85.06532	1.9
85.10172	4.8
88.07642	14.1
89.07939	3.6
91.05464	3.3
93.07045	19.2
95.04937	1.9
95.08061	2.3
95.08617	30.0
97.06538	10.5
97.10172	14.4
98.21304	1.9
99.08122	1.2
102.09185	2.5
103.03953	1.7
103.09534	1.3
105.07030	3.5
106.08658	5.0
107.08572	14.8
109.06513	1.3
109.10158	16.0
111.08123	3.1
111.11700	5.2
121.10151	30.7
123.11693	5.2
125.09620	2.4
130.06534	48.8
133.56081	1.2
135.11699	19.7
137.13237	3.4
139.11220	2.3
144.08032	2.3
145.10149	2.0
149.13281	13.1
151.14835	3.3
153.12766	2.0
163.14844	6.0
165.16379	3.3
171.11647	1.2
177.12758	1.8
177.16397	2.5
181.15900	1.6
191.17972	3.1
221.15338	1.5
240.13887	3.9
247.24231	25.6
259.12265	4.1
265.25256	21.5
332.68448	1.2
339.28940	14.0
339.34415	6.7
357.25809	4.6
357.35559	100.0
358.36304	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05516	69.1
57.03438	10.4
57.07079	37.0
61.33305	5.7
61.38770	4.2
64.37508	4.4
67.05169	6.0
67.05503	74.1
69.07074	77.9
71.08646	30.6
79.05490	47.7
81.07063	83.2
83.08624	66.9
85.10180	12.2
91.05479	9.1
93.07047	58.3
95.08617	75.6
97.06516	25.2
97.10168	39.6
98.21001	27.6
99.08097	7.6
105.07013	5.3
107.08599	53.4
109.10168	37.5
111.08096	13.7
111.11726	12.1
116.11557	5.0
121.10146	100.0
123.11720	13.5
125.09659	5.1
135.11711	58.1
139.11171	4.7
149.13283	20.3
151.14812	8.0
163.14757	11.4
165.16429	5.3
177.16422	6.7
191.18117	4.4
194.10938	4.8
247.24237	56.2
265.25287	45.4
283.26251	5.5
339.29135	34.7
356.11481	11.1
357.11667	31.8
357.35403	9.6
358.12811	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03948	2.9
55.01873	13.7
65.03931	4.4
67.05518	2.6
70.06593	4.3
70.17673	5.1
79.05471	5.1
81.07057	3.0
84.08175	2.3
86.09715	5.0
89.79067	2.0
91.05474	7.6
93.03367	1.9
94.04176	5.6
95.04974	2.0
95.08594	3.6
98.20870	2.5
98.21425	2.3
103.05447	5.3
105.07023	3.5
107.04932	3.0
107.24022	1.6
109.06506	3.2
111.04418	5.9
115.05443	7.4
117.03314	1.6
121.06499	2.1
122.03653	12.3
125.05991	4.9
131.04924	5.4
132.05698	2.4
133.06499	2.2
135.04420	2.0
137.05983	100.0
143.04919	7.8
144.05779	3.0
145.02901	1.9
146.03648	4.0
147.04425	2.9
149.05969	5.6
151.03900	7.3
153.05470	3.9
155.04913	3.3
161.05969	20.2
162.06720	3.5
163.07536	3.3
165.05521	22.6
165.06902	3.3
171.04388	4.7
172.05161	2.7
175.07585	7.8
177.05484	10.2
178.06325	1.6
178.07816	4.1
179.08565	3.6
183.04449	2.3
187.07521	6.0
189.07030	6.3
190.07787	6.6
191.07144	2.0
191.08606	12.1
201.05421	2.1
202.07715	2.7
203.07053	7.6
205.06558	2.9
207.08002	7.8
208.08919	3.3
209.05890	1.9
215.06970	8.0
217.06519	4.6
218.07259	16.9
219.08069	19.8
220.08759	3.1
221.06052	2.6
223.07512	3.9
229.06519	5.5
231.08046	3.2
234.06700	9.9
235.07545	13.6
236.08278	6.4
237.08987	1.6
245.05936	2.7
246.06784	14.8
247.07535	24.9
248.08334	4.2
249.05408	2.3
249.09077	9.8
250.06503	2.2
251.06992	5.0
251.10727	3.6
253.08611	3.5
257.05991	5.1
259.07385	2.2
261.09125	24.3
262.06244	3.5
263.07037	14.4
264.07776	13.0
265.08545	7.0
267.06732	1.7
267.10004	3.8
268.07098	1.7
269.08127	2.4
274.06329	10.1
275.07028	12.2
276.07809	2.7
277.05814	2.2
277.08557	15.2
278.09372	3.2
279.07181	3.3
279.10205	13.6
281.08157	2.2
289.08609	32.1
290.09286	5.6
291.06589	4.8
292.07391	4.0
293.11737	4.2
294.08780	6.9
295.09698	4.5
306.08783	9.3
307.09637	63.6
308.10107	3.8
309.07709	3.9
309.11093	18.1
311.12601	2.7
315.04416	1.7
321.11237	43.4
322.11337	1.9
324.10239	2.0
327.12280	23.9
339.12314	31.9
357.13565	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	357.133
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
51.02378	0.2
51.11480	0.2
53.03938	0.3
55.01868	0.4
65.03942	0.5
67.05500	0.5
68.05029	0.7
69.05810	0.7
69.34860	1.6
70.06594	0.5
79.05486	0.5
81.03414	0.4
81.07088	0.4
84.04526	0.3
84.08146	0.2
85.02903	0.2
86.09698	1.0
87.02704	0.4
91.05457	1.0
94.04183	2.5
95.04974	0.5
97.06507	0.2
98.21198	1.0
102.81966	0.2
107.04962	0.6
108.02098	0.4
109.06499	0.4
111.04472	0.2
115.05457	1.4
116.05336	1.5
117.07018	0.7
119.04998	0.5
119.08646	0.3
122.03659	6.7
123.04340	0.3
128.06223	0.4
129.07069	0.5
131.04924	0.5
132.10191	0.2
133.00427	0.2
136.07578	0.9
137.05980	100.0
138.06323	1.3
141.05457	0.8
143.04922	6.2
145.06497	0.5
149.06027	0.3
151.03912	21.8
151.05006	1.6
153.05457	0.3
157.06512	0.7
161.05992	0.3
165.05487	0.9
171.04453	0.2
175.07536	1.7
179.95885	0.2
182.08159	0.3
189.09103	0.5
191.07048	0.3
203.07039	2.6
205.06696	0.4
205.08606	2.3
207.06470	0.3
215.07079	0.4
219.08080	0.5
233.08121	0.2
234.14412	0.2
237.09328	0.2
247.07448	0.3
261.09109	0.3
267.67944	0.2
279.10010	0.4
289.08527	0.3
295.09753	0.3
307.09634	0.7
312.09970	0.3
321.11261	1.3
327.12274	11.1
328.12601	0.4
339.12302	0.8
357.13330	19.6
358.13657	0.8
358.87125	0.2
370.52759	0.2
376.63397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
56.05032	0.8
56.96567	5.0
57.03424	1.0
60.04522	1.3
61.02924	1.0
65.03906	0.8
65.14838	0.6
69.03429	3.8
69.97595	3.1
70.06590	2.7
71.04975	0.9
72.08159	1.4
73.04753	0.8
79.05486	3.1
82.06572	2.1
83.06085	2.3
83.08489	0.6
83.44365	0.7
84.04502	2.3
84.08152	4.4
85.02894	3.8
86.09704	1.5
87.04522	0.7
91.05413	5.4
93.04458	1.1
95.03680	0.9
95.04971	0.8
95.06080	1.1
97.02892	2.2
98.97572	2.4
99.04436	0.8
102.05499	0.7
103.05479	3.2
105.07025	5.7
110.07167	12.1
112.03955	1.3
112.07607	3.0
115.05488	1.0
116.98612	2.1
117.03383	0.9
117.05762	13.5
119.04938	1.1
120.08104	4.7
122.06006	0.8
129.10245	2.2
129.13763	0.7
130.05031	1.0
130.06525	2.7
131.04910	1.1
131.07280	2.0
132.08096	18.7
132.09111	1.0
133.05220	6.0
134.99715	1.2
135.04425	2.1
136.06168	1.6
136.07610	0.8
137.08345	3.1
138.05489	1.3
145.02811	1.0
146.02713	2.2
147.04416	1.5
147.06805	3.9
148.07571	46.3
150.05519	7.9
150.09161	1.6
156.03348	3.0
156.07669	3.3
158.06682	0.8
160.07570	9.5
163.02675	1.2
163.03920	9.9
164.04268	0.8
164.07077	2.3
166.08646	11.7
174.04367	3.3
176.07066	48.4
177.07498	1.1
178.08647	1.2
186.04384	5.8
194.03098	1.3
194.08124	46.5
204.05437	5.3
213.00800	1.0
213.07898	1.3
225.09813	1.2
228.05423	2.2
237.02745	1.3
246.06549	1.6
279.10092	1.2
286.00934	0.9
297.11234	1.2
310.17795	1.6
338.12460	1.2
356.13403	100.0
357.13724	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	356.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.8
56.96567	28.5
57.03438	10.3
61.02926	71.8
66.09660	1.9
69.51597	2.0
70.26065	8.4
70.98122	6.9
72.08143	9.1
73.02900	3.6
78.95636	2.5
84.96021	4.1
85.02898	13.8
86.83221	1.9
87.00816	2.2
88.99133	3.6
89.00756	6.3
94.93008	3.4
97.00508	3.0
98.01295	5.2
98.21192	4.8
98.97118	1.8
98.97604	19.2
109.00501	2.5
110.01272	3.2
110.07233	3.0
113.02381	5.1
116.98666	10.1
118.01013	4.1
118.08639	5.1
119.01785	8.4
120.00816	4.5
124.95460	8.1
127.01573	5.4
127.03918	6.4
128.98520	4.2
132.00754	8.7
134.02245	2.4
140.00414	2.4
141.00352	3.0
141.01273	25.0
142.96573	11.4
142.97563	2.0
143.02853	3.6
144.99706	2.9
146.99651	8.4
147.01266	2.8
150.01801	63.0
150.51982	4.3
154.00252	4.0
156.98062	2.7
157.02580	4.2
158.99658	5.1
159.02306	6.7
160.97609	6.9
161.01083	6.4
163.03975	3.1
166.00241	2.6
170.01558	3.5
170.95950	4.9
173.01086	2.1
174.01639	2.1
174.99138	11.7
175.00780	10.7
176.95642	3.4
177.00826	2.8
177.02240	4.8
179.01973	3.0
182.01546	8.1
183.02261	3.5
184.01289	9.9
184.97606	3.6
186.99211	3.9
188.97113	12.9
189.00655	6.1
190.98619	5.0
191.02057	9.1
192.93022	5.2
193.00211	10.7
195.02325	3.5
196.01266	15.0
201.00729	4.5
202.98695	6.6
203.02119	4.0
204.02905	3.5
205.00243	3.2
205.01834	42.7
205.03603	3.5
205.52040	3.4
206.98070	4.9
207.01678	5.0
212.02618	3.3
214.02344	19.9
214.98566	5.2
216.52631	4.7
217.00124	3.0
219.01691	5.8
220.99672	8.2
223.01051	2.8
226.02330	78.8
226.52496	7.0
228.04169	2.5
232.99628	5.9
235.02884	100.0
235.53082	11.1
240.96548	10.2
240.98738	5.0
242.98233	2.4
244.03386	22.0
244.53618	3.7
246.53806	3.1
263.00696	6.9
270.97464	3.8
281.01849	3.3
288.98587	5.7
304.23309	2.0
306.99780	3.6
321.01218	2.8
327.84717	2.2
356.99835	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	355.2843
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
51.41856	2.1
53.03950	2.6
54.33687	2.3
55.01859	4.3
55.05510	36.6
56.39137	2.4
57.03427	9.5
57.07066	14.2
65.03945	2.6
67.05505	77.0
69.07067	46.3
69.79117	5.0
69.79520	9.2
70.06580	7.3
71.06921	2.4
71.08622	5.4
79.05491	28.8
81.07058	100.0
83.05005	3.1
83.08614	31.9
85.06536	4.2
85.10177	2.7
88.07621	10.9
91.05441	19.2
93.07037	36.8
95.04959	5.2
95.08604	86.7
97.06518	10.0
97.10170	22.3
99.08094	2.3
102.09193	3.0
105.07024	16.9
106.08664	5.1
107.08582	20.2
109.10157	46.5
111.08093	3.2
111.11733	7.2
116.52898	2.4
119.08583	22.8
121.10146	28.8
123.08141	3.1
123.11694	21.5
127.87238	2.2
128.31361	2.2
131.08562	3.0
133.10124	20.9
135.11700	17.4
137.13277	7.5
141.12746	4.6
145.10120	4.7
147.11685	13.1
149.13243	13.6
151.11255	2.6
151.14813	2.3
161.13258	16.6
163.14842	13.9
165.16402	6.6
175.14868	11.3
177.16484	2.6
179.17972	3.4
180.17542	2.3
189.16393	6.5
203.17838	2.4
213.85315	2.8
245.22641	48.4
263.23694	45.8
313.19437	2.7
337.27350	25.2
337.33130	3.7
355.24326	24.2
355.28604	7.1
355.34000	66.3
377.50104	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21904	4.8
55.05509	33.7
57.03431	9.1
57.07055	11.3
60.91339	3.9
67.05499	78.5
69.07068	33.9
71.08620	7.3
73.04745	4.2
75.28428	5.0
79.05482	38.9
81.07059	100.0
82.07377	4.5
83.08611	24.4
91.05470	13.7
93.07047	34.2
95.08608	89.9
97.06536	10.5
97.10159	14.2
99.08096	5.1
105.07011	12.2
107.08588	25.4
109.10155	42.6
111.11692	8.0
119.08577	13.8
121.10134	31.1
123.11719	23.6
133.10098	13.2
135.11732	22.3
137.13228	9.8
147.11623	14.6
149.13248	19.4
152.14314	24.6
161.13269	17.3
163.14824	23.3
165.16377	13.5
175.14810	15.1
179.17960	8.6
181.15965	4.6
183.21532	5.3
189.16359	8.9
195.79373	4.3
196.16975	14.5
245.22690	59.5
263.23709	50.8
282.11453	4.5
320.90543	4.2
337.27484	29.3
355.28644	7.4
355.33942	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	355.2841
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
53.03941	2.2
55.01886	3.2
55.05508	35.3
56.77483	2.3
57.03434	9.5
57.07079	15.6
58.99174	2.1
60.18119	2.0
67.05507	69.2
69.07072	41.7
69.89999	11.3
71.04996	6.0
71.08656	5.1
79.05484	26.1
81.07058	100.0
83.04974	3.1
83.08616	30.6
85.06562	3.1
85.10190	2.8
89.34507	2.2
91.05457	17.9
93.07043	29.5
95.04967	2.3
95.08610	82.7
96.08982	2.2
97.06530	12.5
97.10175	21.4
98.20727	2.8
98.21315	6.0
105.07034	20.0
107.08594	19.5
109.10158	43.2
111.08077	5.6
111.11732	5.8
119.08584	15.0
121.10141	25.5
123.08040	2.6
123.11714	22.3
125.09618	2.7
125.13348	2.5
129.05458	6.7
133.10123	18.7
135.11696	14.6
137.09619	4.1
137.13290	8.5
147.11682	14.7
149.13277	15.8
151.14803	8.0
161.13226	14.1
163.14867	13.3
165.16441	7.9
175.14853	11.7
177.16339	2.6
179.17816	3.5
181.15895	2.7
189.16393	3.9
245.22633	38.7
263.23691	45.4
286.63358	2.2
292.64444	2.3
312.88354	2.6
337.27359	27.8
355.24042	3.9
355.28256	50.8
358.38284	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	355.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61854	1.1
53.03938	2.5
55.01862	5.5
55.05518	5.4
57.03439	36.1
57.38868	1.0
63.76271	1.1
65.03951	2.1
65.09669	1.2
67.05507	13.5
69.03412	1.7
69.07070	16.3
69.89082	2.7
69.89471	2.2
70.06586	4.9
71.05005	6.3
72.08167	2.3
73.02905	1.2
73.04741	2.6
73.06560	1.3
79.05499	19.4
81.03427	3.8
81.07067	18.5
83.04981	3.1
83.06102	2.0
83.08598	2.7
84.04506	4.0
84.08151	4.3
85.02908	3.5
85.06525	5.2
85.48907	1.0
86.09711	13.1
91.05436	21.4
93.07039	14.6
95.04977	9.4
95.08611	9.1
97.02887	2.0
97.06533	11.5
99.08096	100.0
100.07617	1.2
100.11260	2.2
102.04677	1.5
103.05469	2.6
105.03387	1.5
105.07033	9.8
107.04953	14.3
107.08604	8.0
109.06506	6.5
109.10130	2.6
110.07172	1.5
111.04435	2.7
113.06006	2.9
114.09091	1.2
115.05446	5.4
115.07564	9.2
117.06995	5.2
119.04934	8.8
119.08582	10.2
120.08108	2.4
121.06482	7.8
121.10145	5.8
122.03699	2.5
123.08089	4.0
124.05241	2.3
125.09643	1.1
127.07554	44.0
128.07108	1.6
129.07005	5.0
130.05040	1.8
130.06532	11.5
131.04932	1.6
131.08565	10.1
133.06496	3.3
133.10164	6.6
135.04459	2.0
135.08035	5.4
135.11696	1.4
137.05983	26.9
137.09596	5.7
143.04857	1.6
143.08551	2.4
143.11797	1.2
145.06491	4.2
145.10147	8.8
147.04420	7.0
147.08086	5.2
147.11687	3.5
149.05960	2.5
149.09604	4.6
150.06786	1.8
151.07507	1.7
157.10136	2.6
158.03653	4.9
160.05260	1.3
160.07570	3.4
161.05997	2.2
161.09639	4.8
161.13345	1.9
162.06757	1.7
163.03947	2.4
163.11201	3.6
165.05443	1.2
165.09081	6.4
167.10680	1.8
171.11652	4.7
173.06012	7.7
173.09601	6.5
175.03915	7.9
175.11209	2.8
176.94879	1.3
177.09143	3.5
178.07800	1.8
179.10669	9.0
180.07854	2.2
182.15396	4.0
185.13289	1.5
186.03073	5.7
189.07036	2.4
189.12758	3.9
191.10672	5.0
193.05000	1.1
193.12047	1.8
194.07236	1.4
196.14459	1.4
199.14819	4.9
201.05467	63.1
202.05797	2.6
203.07068	2.1
203.14253	1.5
205.06456	4.1
206.07231	3.9
209.13341	1.7
210.14861	5.1
213.05524	1.6
217.06564	2.1
217.15927	4.7
221.05942	1.4
222.06725	2.7
227.14285	4.2
233.05957	5.3
234.06714	9.3
235.07513	3.0
237.09091	2.6
245.05937	1.6
245.15341	14.3
247.07518	1.7
249.09196	3.5
250.06351	2.3
250.09390	1.4
251.06995	2.2
261.05511	2.3
262.06235	6.9
263.16464	5.0
264.07962	1.5
265.08618	4.2
268.97845	1.8
269.13892	2.4
273.05481	2.0
274.10776	2.2
277.08615	7.2
278.05930	1.1
279.06537	1.7
285.01001	1.8
290.05710	4.9
293.08035	2.8
295.09555	1.3
305.08105	12.7
306.08463	1.5
307.09619	3.1
309.11212	2.0
311.08923	1.1
322.08255	1.4
323.09088	2.9
325.10657	3.1
337.10580	8.0
337.20074	6.5
355.07877	2.2
355.11932	4.8
355.17105	8.4
355.21246	15.5
377.74411	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01876	12.3
55.05514	16.3
55.81440	1.1
57.03149	1.3
57.03437	38.0
65.03928	3.8
67.05504	45.2
69.03427	7.4
69.07069	66.9
69.55703	8.4
70.06584	1.9
71.04991	6.4
72.93769	1.2
73.06552	2.0
79.05494	59.1
80.05036	1.1
81.03417	49.7
81.07057	79.3
83.04998	9.4
83.08595	4.1
85.02425	2.4
85.02908	36.5
85.06522	2.0
91.05479	100.0
93.07047	56.2
93.07914	1.4
94.04219	1.4
95.04971	11.2
95.08607	46.5
97.02852	3.5
97.06529	15.4
98.20736	2.0
99.04449	1.3
99.08078	10.4
100.07609	2.3
100.11225	2.9
101.02381	1.6
103.03920	4.4
103.05466	1.2
105.04500	1.7
105.07031	18.4
107.04958	6.9
107.08597	26.9
109.02838	1.1
109.06506	9.6
109.09444	1.8
109.10161	23.1
109.52892	1.1
111.04427	6.2
111.08080	3.3
113.05991	1.1
115.05420	1.2
115.07539	2.8
117.07006	9.6
119.03461	5.9
119.08585	96.1
120.08095	1.5
121.06523	8.2
121.10146	28.9
123.04451	2.2
123.08073	24.8
125.05984	5.0
125.09647	10.7
127.07527	1.2
128.06224	1.7
128.07106	1.7
129.05478	1.5
129.07019	6.0
130.06552	6.1
131.08571	13.9
133.06488	3.0
133.10126	8.8
135.07156	1.8
135.08040	8.4
135.11673	2.1
136.06198	3.0
137.06032	5.8
137.09621	60.9
139.07513	2.8
139.11177	2.0
140.01906	1.3
140.07013	1.7
143.07037	20.5
143.08553	4.6
145.05042	1.5
145.06645	1.0
145.10101	5.5
147.08038	16.4
147.11688	2.8
149.09656	9.4
149.13200	1.2
151.07533	3.5
153.09117	9.7
157.10127	4.6
159.06538	3.3
159.08026	1.7
159.11694	4.6
161.08087	5.2
161.09644	3.2
161.13225	2.3
163.11143	1.4
165.09122	53.2
171.11618	2.7
173.05945	1.6
173.09544	1.3
173.13277	3.3
175.03996	1.4
175.07533	1.8
175.11186	3.2
175.14815	3.6
177.09106	1.4
178.04900	1.2
181.06474	1.2
181.08578	2.0
182.15436	3.7
183.10197	13.5
189.12833	2.0
189.16373	3.9
191.50980	1.1
193.08478	1.5
195.10254	2.3
199.14784	8.7
201.05493	2.3
201.16335	3.7
209.13239	1.6
210.14870	9.0
217.15877	9.8
221.11700	2.3
227.14369	3.0
239.03606	2.0
239.12823	9.0
240.88055	1.2
245.15381	9.2
257.04785	2.9
257.13870	3.8
262.06311	1.3
263.16422	8.1
319.18994	1.9
337.10614	1.4
337.20581	10.1
355.21204	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	355.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13894	1.7
53.03939	7.2
55.01880	9.1
55.05512	15.7
56.05020	1.9
57.03438	34.1
65.03943	3.1
67.05505	40.2
69.03423	5.4
69.07072	71.1
69.95916	4.3
69.96318	5.8
70.06596	5.5
71.04990	2.9
73.06556	2.6
79.05495	64.8
79.05962	3.3
81.03423	49.4
81.06577	3.8
81.07058	76.9
83.04973	7.7
83.06100	2.0
83.08618	4.3
84.04511	9.4
85.02909	30.9
86.09704	3.2
90.58174	1.8
91.05474	98.5
93.07046	53.0
95.04974	15.2
95.08034	3.8
95.08612	40.7
97.02892	4.8
97.06519	17.9
98.20829	4.2
98.21379	4.4
99.04470	3.6
99.08099	11.2
101.02398	2.3
103.03940	5.0
103.05518	2.7
103.84009	2.0
105.07037	20.6
107.04958	9.3
107.08590	32.3
109.06527	7.3
109.10167	22.6
111.04463	5.0
111.08082	3.9
115.05486	2.1
115.07601	2.8
117.07006	12.0
119.03423	5.7
119.08583	100.0
120.08092	2.0
121.06515	6.7
121.10138	28.4
123.08076	25.6
123.11656	2.0
125.06039	7.9
125.09664	10.6
129.06935	5.7
130.05022	7.1
131.08546	14.6
132.04454	1.9
133.06470	2.1
133.10132	12.0
135.08063	6.4
135.11728	4.3
136.06186	14.1
137.05988	6.0
137.09624	60.4
139.11246	2.0
141.09317	2.1
143.07043	21.9
143.08565	5.4
145.10126	9.3
147.08058	16.4
147.11784	2.6
149.09625	13.7
151.07539	2.8
153.09120	9.4
155.07228	2.2
157.10219	4.2
159.06474	2.8
159.11737	4.2
161.08128	4.1
161.09633	5.8
161.13300	2.7
163.11208	5.4
165.09126	49.8
171.11644	2.5
173.05960	3.1
175.14828	2.4
179.10710	5.4
183.10194	14.8
189.12984	1.7
189.16389	4.9
191.10754	3.0
199.09680	2.5
199.14821	10.5
201.05568	9.4
201.16386	2.3
217.15892	12.0
219.13895	2.7
221.11804	2.9
227.14339	2.5
234.06686	3.7
239.12654	10.1
245.15408	6.7
257.13892	3.0
262.06311	3.9
263.16461	9.4
276.07944	2.0
285.00931	3.3
290.05646	3.2
305.08087	6.2
323.09210	2.2
337.10751	8.0
337.20062	6.1
355.06845	3.1
355.11511	4.7
355.16959	3.1
355.21173	32.0
355.27759	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31039	1.3
53.03952	5.1
55.01876	11.3
55.05518	18.3
57.03442	19.7
64.80791	1.8
65.03937	2.6
67.05507	51.5
69.03431	5.2
69.07066	18.3
71.01328	3.3
71.04996	4.6
71.07366	3.4
73.02927	3.6
73.04743	2.3
79.05052	3.1
79.05498	58.8
81.03428	12.7
81.07060	100.0
81.13061	1.6
82.07378	1.6
83.04981	3.5
83.08622	10.1
84.04500	2.8
84.08170	1.8
85.02903	9.3
85.06557	1.9
86.09733	1.7
87.04470	2.6
90.43569	1.6
91.05452	49.2
93.07052	42.6
95.04967	12.6
95.08611	92.1
97.02920	5.8
97.06520	8.9
97.10144	4.1
98.20953	2.5
99.04438	4.0
99.08094	8.2
103.05466	3.2
105.07030	23.1
107.04965	9.7
107.08579	10.1
109.06538	9.6
109.10159	17.4
111.08064	9.7
112.07227	1.6
115.05433	2.4
117.07034	6.7
119.08588	43.8
120.08118	7.7
121.06543	9.2
121.10140	8.1
123.04445	2.1
123.08076	64.5
124.74393	1.5
125.09669	5.9
128.06136	1.8
129.07008	4.9
130.05028	3.1
130.06573	3.3
131.08557	4.3
133.06516	6.9
133.10153	4.9
135.08066	7.0
136.06172	3.0
137.06024	3.9
137.09625	47.6
139.11169	1.8
141.07056	1.7
141.09123	3.7
145.10117	3.8
147.08064	11.1
147.11687	3.0
149.09648	5.2
151.07544	26.2
155.10721	1.9
157.10170	3.3
158.03436	1.7
161.09608	4.1
163.03905	2.3
165.09128	54.5
167.10660	11.5
173.06010	1.8
181.06459	2.0
183.10182	30.9
183.11758	2.7
185.05908	2.1
185.09531	2.1
189.09067	2.0
195.10185	3.8
197.06046	3.0
197.11768	2.7
199.03934	2.9
199.14861	3.8
200.04582	2.2
201.05537	4.2
213.05487	18.0
217.04976	2.7
217.15948	3.2
225.05434	1.9
227.06943	2.1
227.14375	3.5
235.16956	3.2
245.15431	5.6
252.07610	1.6
257.13889	9.8
263.16452	15.8
267.13757	2.7
270.60229	1.9
285.00986	2.5
309.93829	1.5
311.12851	2.5
337.10751	3.0
337.14404	9.7
337.20386	2.3
355.07135	2.6
355.11761	1.9
355.15741	9.4
355.21213	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	355.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88564	2.2
53.03936	4.6
55.01858	10.1
55.05513	18.7
57.03429	10.5
57.07068	2.9
67.05506	52.5
69.03422	6.8
69.07061	16.4
70.06609	2.2
70.24477	7.1
71.01377	2.8
71.04980	4.0
73.04755	3.7
79.05492	32.5
81.03413	30.2
81.07057	41.1
83.05011	4.5
83.08620	8.4
84.04461	2.5
85.06489	2.4
91.05417	25.7
93.07040	32.1
95.04975	19.3
95.08609	29.7
97.02892	7.3
97.06525	9.5
97.10167	4.5
98.20839	3.5
99.08102	2.7
103.05465	4.0
105.07027	32.1
107.04917	2.4
107.08591	21.3
109.06497	7.8
109.10181	15.5
111.04451	14.4
111.08085	2.5
117.06995	5.9
119.04982	2.6
119.08588	26.5
120.04504	3.5
121.06477	6.9
121.10130	18.2
123.04427	100.0
123.08028	5.5
123.11740	3.3
125.05923	2.6
129.06999	7.4
130.06517	2.9
131.08549	10.0
133.02847	2.5
133.06490	8.7
133.10121	28.3
135.08044	14.9
135.11696	8.8
137.05974	6.9
137.09616	4.0
137.13213	2.8
143.08536	8.0
145.06502	2.4
145.10114	3.1
147.04425	5.2
147.08064	18.1
147.11708	17.1
149.09584	13.9
151.07469	3.6
153.09131	3.4
157.06528	3.1
157.10130	7.9
159.04402	6.7
161.02301	4.6
161.09622	15.8
161.13261	6.3
163.03925	22.7
163.11156	4.4
165.09117	5.0
165.12807	4.7
173.02364	9.3
173.05975	6.1
173.13205	3.1
175.11198	5.2
175.14854	5.0
179.10713	3.1
185.05965	3.8
185.13263	2.9
187.03870	8.2
189.16382	24.6
193.10214	2.9
193.12247	4.6
199.03886	9.7
199.07553	3.7
199.14761	6.0
201.05510	4.5
207.17545	4.1
211.07451	3.4
213.05492	15.0
217.15862	16.4
231.12262	2.5
235.16949	18.1
245.15199	2.2
263.16437	42.4
264.16940	2.3
267.13776	23.4
281.17477	77.5
293.11499	3.1
294.10187	4.3
303.10788	15.4
303.60922	3.2
311.12933	4.1
311.16467	2.7
327.15854	3.2
337.14389	3.0
337.19916	11.3
355.15494	9.0
355.21198	15.8
355.25031	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	355.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49668	0.9
53.03948	1.5
55.05511	1.3
56.05036	2.2
56.87108	1.0
57.03427	2.6
58.06593	1.4
58.99585	1.5
60.04510	1.1
61.01145	1.0
67.05500	1.3
68.05022	2.5
69.03426	5.9
69.05807	1.5
69.07067	2.4
70.06591	6.8
70.97542	1.1
70.97875	2.1
71.04992	2.2
72.08148	2.4
73.04751	4.8
76.02227	3.5
79.05493	3.2
79.42155	1.0
80.05006	1.7
81.03406	6.1
81.07066	2.4
83.05024	1.0
84.04521	2.5
84.08134	7.7
86.09698	2.5
87.02691	4.7
88.03006	1.1
91.05826	13.3
94.06549	2.1
96.08141	2.0
97.02892	1.9
98.06051	1.2
98.21175	1.6
99.04446	2.1
106.06567	2.8
108.00794	1.1
108.08140	4.1
109.06528	1.3
110.07167	2.4
116.05357	1.4
116.07037	1.1
117.03666	4.0
118.04057	2.2
119.04959	2.9
120.08088	1.3
122.06011	1.4
124.07601	14.4
129.10245	2.0
129.17918	1.0
130.05014	2.4
133.07578	7.5
134.06160	4.3
134.08105	1.6
135.04396	2.4
135.09195	1.2
136.06206	2.9
136.07607	4.4
137.05994	4.6
141.04138	1.1
145.02869	1.6
146.06059	1.1
146.99574	1.1
147.04401	6.5
150.05446	1.2
151.08678	2.0
152.07089	7.0
152.09154	1.2
153.04051	1.2
154.08557	1.2
161.07047	9.1
162.02167	1.9
163.03902	11.3
163.08650	1.0
164.07106	1.2
173.07220	1.3
174.10303	1.8
176.02000	1.3
178.09755	1.5
180.06505	2.3
185.02037	1.7
186.02299	2.5
187.01642	1.6
190.09747	2.7
192.10130	2.0
193.04980	8.6
201.05432	2.3
202.09798	1.2
203.05711	2.5
204.07707	2.5
216.07744	1.9
221.10364	3.9
233.10352	3.7
234.08778	1.4
234.98840	1.8
238.10695	1.4
249.12236	1.1
256.97580	1.6
263.05569	1.9
268.97928	3.1
277.11792	1.8
278.99371	1.0
285.00851	4.8
289.04947	3.7
294.14468	2.4
295.12936	2.5
312.15530	1.8
315.91226	1.1
327.12833	1.1
337.10913	1.3
337.15021	4.2
338.13605	2.0
355.01099	4.2
355.07275	5.2
355.16113	100.0
356.16687	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01854	6.3
55.05520	9.6
57.03431	3.1
66.44917	2.2
67.05505	19.4
69.03413	5.5
69.07054	12.0
70.02129	3.7
70.02541	7.5
70.06588	2.3
71.01328	2.4
71.04933	2.7
73.04756	4.3
74.34755	2.0
79.05486	12.4
81.03409	10.4
81.07061	20.6
83.08600	3.4
84.04491	5.0
84.08132	2.0
85.02853	2.9
85.06498	2.6
87.02653	2.1
91.05424	7.2
93.07028	12.0
94.06529	2.6
95.04968	3.9
95.08572	9.7
97.02873	2.4
97.06503	5.6
97.10149	5.0
98.21042	4.7
103.05475	2.9
105.07011	17.4
107.08575	5.9
109.02894	2.1
109.06506	5.0
109.10135	7.3
111.08075	3.2
115.05444	9.1
115.98832	1.7
119.08547	5.4
120.08054	2.1
121.10139	4.7
121.12264	1.9
123.08031	4.5
123.11743	3.1
128.06245	3.5
129.06969	9.1
130.04953	4.3
130.06483	4.9
131.06812	3.1
131.08540	5.6
133.06491	4.3
133.10110	7.7
135.11629	4.5
136.06184	17.5
137.05943	5.2
137.09615	16.0
139.05360	3.5
139.11160	2.3
141.06923	5.9
142.61646	1.9
143.04883	3.4
143.08490	3.1
145.06514	3.9
145.07649	1.9
146.03596	1.9
147.04367	2.9
152.06235	11.2
153.06999	50.2
155.04892	2.6
155.08516	2.8
157.10037	2.8
159.11652	2.8
160.04208	3.7
161.05978	25.2
163.03854	2.6
163.11203	2.2
165.06993	4.7
165.09068	2.6
167.08508	6.5
169.06567	2.7
171.07979	5.7
173.05956	20.6
173.47360	2.0
175.14885	2.4
179.08578	3.8
180.05820	2.2
181.06488	47.8
185.05966	6.2
187.07568	4.1
189.05466	11.3
189.06877	2.4
193.15872	17.3
195.07985	8.1
197.06015	16.3
198.06758	4.9
199.03836	6.7
199.07515	40.2
201.05457	13.0
203.07019	3.0
205.06543	2.6
206.07242	2.7
207.07996	2.6
209.05933	2.2
211.07581	10.7
213.05400	5.7
213.08807	2.8
215.07014	2.8
217.04955	100.0
219.07936	3.2
223.07408	3.8
225.05516	18.3
225.09042	3.2
227.06940	4.4
229.77242	2.0
231.06233	2.9
234.06619	3.6
235.07471	3.3
236.73663	1.9
239.06924	6.7
240.27919	1.9
243.06479	8.3
245.05933	3.3
249.09064	5.8
251.06882	3.7
262.06186	5.4
263.07004	4.2
267.13513	2.3
277.08560	9.0
282.11182	4.6
285.00861	4.2
290.05685	6.1
291.13840	9.4
301.12457	3.1
305.08005	7.5
309.14816	8.0
319.13190	8.2
323.09070	11.6
337.10529	9.5
337.14276	44.5
355.07172	4.0
355.11682	6.8
355.15317	64.8
355.21469	4.1
356.15308	3.7
373.16354	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	355.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
55.05501	2.1
57.03427	4.7
66.28448	1.2
67.05514	1.6
70.06586	2.3
70.17305	4.9
70.74638	1.1
71.04971	1.3
71.99104	1.7
72.08168	2.0
72.95277	1.2
79.05519	2.5
81.03386	1.7
81.07062	2.3
85.02888	4.7
86.09717	2.0
87.00839	1.6
90.97128	1.1
91.05436	2.7
93.07034	1.4
97.02903	2.5
97.06518	1.1
98.20798	1.5
101.40308	1.1
105.01897	2.4
105.07013	1.3
107.04977	1.3
109.06474	1.5
114.03762	3.0
117.07035	1.3
119.08604	2.6
121.06472	1.3
130.06528	100.0
131.06905	1.8
137.05963	3.2
142.07822	1.3
145.10118	2.1
147.07996	1.7
161.05995	1.5
161.09575	1.4
171.11642	1.8
178.03535	2.8
182.06026	2.3
189.12805	1.7
191.10687	1.3
198.05515	2.4
201.05405	7.4
216.06526	2.1
231.06366	1.3
234.07324	1.4
242.08083	2.2
245.15413	1.8
262.06317	1.7
263.16409	1.8
305.07932	1.7
355.07425	1.3
355.21152	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	355.1177
Annotation	(+)-EI 1507-1
Peak:m/z	Relative Intensity
55.01856	4.0
55.05502	3.8
55.09367	1.4
57.03432	6.0
65.03938	2.8
67.05514	7.5
69.03420	5.1
69.07070	13.2
69.87360	7.8
70.06601	2.8
71.04977	2.4
71.71024	1.5
79.05499	11.2
81.03401	5.7
81.07055	15.4
83.04992	2.9
83.08598	1.8
84.04501	2.0
84.08147	2.1
85.06523	3.0
86.09669	2.2
87.75155	1.9
91.05460	11.2
93.07037	8.4
94.04150	3.5
95.04955	6.9
95.08600	12.3
97.06534	7.9
99.04445	2.5
99.08079	2.4
100.11254	1.7
103.03960	1.6
103.05431	2.4
105.07023	10.6
107.04944	3.3
107.08610	7.5
109.02831	1.9
109.06503	5.3
109.10179	8.2
111.04387	1.7
115.05415	3.7
117.06989	3.4
119.08574	8.0
121.06481	3.3
121.10145	7.0
122.03663	9.5
123.08044	4.5
125.05988	2.1
125.09632	7.5
128.06223	1.9
129.06964	3.1
130.04124	2.7
131.08566	4.6
133.06435	1.9
133.10117	5.8
135.08061	5.0
135.11629	2.0
136.06160	2.9
137.05972	100.0
137.09628	6.1
139.11150	1.7
143.04918	2.1
143.07010	3.9
143.08595	1.7
145.06470	5.0
145.10104	2.6
146.03581	1.5
147.04391	2.4
147.08014	3.7
151.03896	7.2
158.03635	6.5
160.05151	2.2
161.05945	7.2
161.09563	1.7
161.13307	1.6
162.03212	1.7
162.06787	2.1
165.09132	3.9
167.08507	1.9
168.13745	1.6
173.05974	14.2
175.07652	1.9
176.06389	1.6
178.07785	5.7
181.06360	1.7
185.13252	1.7
186.03197	8.3
189.05508	2.5
189.07007	7.3
190.07793	1.6
193.12225	1.9
199.14804	4.1
201.05467	97.6
202.07713	2.0
203.06920	2.6
203.14401	1.8
205.06483	15.6
206.07286	12.2
207.06477	2.7
213.05479	6.9
217.06438	4.9
217.15775	2.7
218.07256	4.0
220.05318	2.8
221.06023	2.9
222.06783	4.6
223.07549	3.1
231.06470	6.7
233.05963	8.1
234.06747	37.0
235.07436	8.3
237.09003	3.7
244.05405	2.2
245.05907	7.2
245.15382	3.0
246.06851	2.9
247.07597	2.6
248.04724	1.9
248.08272	3.4
249.05562	2.6
249.09094	9.7
250.06294	3.7
251.06990	7.4
259.07593	1.6
261.05447	6.1
262.06253	34.3
263.06998	9.9
264.07700	3.4
265.05450	1.6
265.08591	6.0
266.09372	5.6
273.05508	9.8
274.06189	4.2
276.07718	2.8
277.05194	1.9
277.08594	32.1
278.05716	3.5
279.06512	5.4
279.09866	1.6
280.07343	3.6
281.11911	1.6
285.00677	2.2
287.06998	5.7
289.04840	3.3
290.05728	44.2
291.06308	3.0
292.07123	2.7
293.07895	7.7
294.08841	7.0
295.09631	7.6
304.07321	3.9
305.08069	82.3
306.08493	3.0
307.06369	2.3
307.09579	9.3
309.11136	9.3
319.09573	10.1
322.08380	9.5
323.09055	3.8
325.10703	15.6
333.29544	1.6
337.10678	90.2
337.19589	3.1
337.23593	2.0
354.44568	1.5
355.11746	11.7
355.15829	2.8
355.21088	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	354.3367
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05513	11.6
57.07088	12.6
58.06601	11.0
60.04514	4.4
66.81413	2.1
67.05497	7.4
69.07082	14.0
70.06528	11.2
71.08620	7.8
72.04513	3.0
81.07051	11.8
82.13928	1.9
83.08627	11.0
84.08134	6.2
85.10169	4.6
86.06055	2.7
89.83897	1.9
91.05812	4.0
93.07011	3.9
95.08624	14.1
97.10170	7.2
107.08598	2.6
107.52107	2.0
109.10149	8.8
123.11712	4.5
137.09846	2.2
171.68980	2.4
199.96631	2.4
268.29971	2.2
268.97638	2.3
294.31519	3.8
306.31598	2.5
318.14856	2.2
326.34119	4.3
336.32556	13.7
354.33655	100.0
355.33841	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	355.1026
Annotation	ST077074
Peak:m/z	Relative Intensity
55.01879	0.2
56.05021	0.3
69.03418	0.3
70.06596	1.9
71.06893	0.2
71.56611	0.3
72.08150	0.6
73.04752	0.5
81.07030	0.2
83.06096	0.3
84.04498	0.9
84.08138	1.8
85.02894	0.5
86.09715	1.0
89.03939	0.3
89.51241	0.2
91.05373	0.3
91.05801	1.0
94.04169	0.3
95.04942	0.4
97.02889	0.5
98.21360	0.2
103.05416	0.2
105.03393	1.3
106.98605	0.3
107.99422	0.2
109.06522	0.3
110.07182	1.2
116.75390	0.2
117.03423	0.3
119.04947	0.6
120.08118	1.0
121.08411	0.2
122.03673	1.1
129.10236	0.6
130.04997	0.5
133.02858	17.1
135.04408	0.4
136.07602	0.8
137.05988	4.5
145.06120	0.3
147.04436	0.8
149.05971	0.8
150.03087	0.7
156.07712	0.4
161.05995	0.3
163.03937	1.1
165.05476	1.9
175.03940	0.4
177.03400	0.3
178.02615	9.8
186.03206	0.3
193.04973	100.0
194.05302	1.4
194.06813	0.2
195.08760	0.2
199.07130	0.3
201.05458	3.0
234.06885	0.4
256.97668	0.2
265.08359	0.3
268.97855	0.4
277.08563	0.5
285.00983	1.1
305.08179	0.6
337.10696	0.3
355.06625	0.5
355.10443	1.7
362.18958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11052	7.7
55.05495	17.1
55.57682	8.3
57.51105	7.9
62.06093	100.0
67.05498	29.7
69.07068	23.0
70.06555	8.3
70.65961	7.5
71.04984	10.8
71.18896	9.3
79.05495	23.5
81.07056	47.9
91.05447	39.3
93.07039	28.5
95.04971	10.5
95.08617	28.8
97.06540	12.1
105.07056	22.7
107.08594	23.5
109.06519	11.6
109.10166	11.5
117.06992	13.7
118.13092	6.9
119.08585	18.8
120.08173	8.6
121.10152	14.0
130.06567	13.9
131.08569	14.9
133.10127	14.5
143.08553	10.8
145.10117	22.1
147.11760	7.9
150.38841	7.3
159.11751	12.7
162.43460	7.6
186.24771	8.0
210.30063	8.4
240.19527	12.3
250.09448	10.2
250.17995	16.0
268.18976	11.9
273.18451	16.6
286.20010	8.4
291.19504	20.3
318.24255	34.0
326.14639	17.4
336.25372	24.3
354.26343	21.7
354.33490	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	354.264
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
55.01867	3.9
55.05502	11.2
57.03433	6.0
62.06094	100.0
62.87687	2.6
65.03892	3.1
67.05505	18.4
69.07063	13.7
69.28131	13.7
69.28561	13.1
71.04993	6.0
73.04729	2.5
74.06598	3.4
76.18086	3.1
79.05499	23.8
80.77928	2.5
81.03423	5.0
81.07062	21.1
83.04964	2.7
84.08198	3.1
91.05488	12.0
93.07048	21.8
95.04986	3.2
95.08616	11.4
97.06537	10.9
98.06033	3.4
105.07050	14.4
107.08590	11.2
109.06510	7.8
109.10163	4.2
111.08111	5.5
117.07026	5.0
119.08582	10.2
120.13450	2.8
120.85355	3.2
121.10136	8.6
128.80980	2.8
130.06499	5.8
131.08554	6.8
133.10130	7.7
135.08006	3.2
138.12802	8.0
139.11203	4.4
143.08656	3.7
145.10129	3.6
147.11702	3.3
159.11772	5.5
173.13159	4.0
199.07620	2.9
210.14967	14.5
215.17966	3.3
226.18166	3.5
228.15984	10.8
266.21219	3.8
275.20038	11.0
280.22739	2.9
318.24234	15.7
336.25348	99.6
354.22748	5.5
354.26822	20.1
355.06708	5.0
355.14963	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02020	2.6
53.03946	4.0
55.01873	6.3
55.05506	4.8
57.03435	7.2
61.02929	8.0
64.76389	2.7
67.05505	3.3
68.99796	3.3
69.03426	35.0
69.07050	3.2
70.06572	6.5
70.77238	7.2
70.77573	2.4
71.04993	7.6
72.08150	5.6
73.02907	2.7
73.24013	2.2
79.05505	6.3
80.05005	3.2
81.03413	18.1
81.07035	5.0
82.91142	2.3
83.01363	2.8
84.04485	8.7
84.08142	3.2
85.02905	100.0
86.09703	5.9
87.00827	40.3
91.05474	7.8
93.07043	5.9
95.08588	3.0
97.02901	29.7
99.04457	18.1
105.01868	63.8
105.07043	10.4
106.07338	4.4
109.02895	26.3
109.06494	4.7
110.06037	3.0
119.08579	9.7
120.08097	7.1
124.03993	3.2
127.03923	65.7
129.01797	2.6
130.06567	12.9
133.10175	8.1
134.10492	4.4
136.06190	2.7
137.05992	2.9
145.04973	29.1
145.10107	3.8
146.06097	2.7
152.07120	3.4
159.02898	10.9
161.09586	6.5
161.13304	5.3
162.09961	3.5
174.04028	3.1
177.05577	2.8
179.10628	3.6
185.55766	2.3
189.03917	2.8
231.04968	19.0
236.12831	3.5
249.14793	2.7
336.14597	2.7
336.18066	13.9
354.11072	3.8
354.15335	7.1
354.19406	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	354.1482
Annotation	Gly Phe Met
Peak:m/z	Relative Intensity
56.05035	6.1
61.01150	2.9
69.07059	0.7
70.06587	1.8
70.38006	1.4
72.08150	0.7
74.06048	0.9
84.04506	1.3
84.08145	0.9
85.02904	1.0
86.09706	0.5
91.05483	1.2
93.07039	0.9
95.04950	0.4
97.02900	0.6
98.20895	0.5
102.05542	1.0
103.05485	2.3
104.05331	9.3
105.06996	0.7
107.08563	0.4
119.08601	0.6
120.08107	100.0
121.08470	0.5
121.10133	0.4
130.05031	0.5
130.06519	0.6
131.07300	0.8
133.03195	7.2
133.10153	0.5
134.10559	0.4
136.06227	0.5
137.05963	0.6
146.06003	0.6
147.04410	0.6
150.05846	16.7
152.05678	1.1
158.09657	0.4
174.13699	0.5
176.15109	0.5
177.10234	42.2
178.10654	0.5
191.14331	0.6
192.04768	5.3
192.14676	1.3
200.28160	0.5
201.05449	0.5
205.09735	7.0
225.06894	0.6
280.06766	0.4
293.18585	1.0
297.12668	1.1
310.21414	0.5
337.21210	0.9
354.19189	1.0
354.23288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25660	1.9
53.03959	9.1
55.01869	2.7
58.99587	20.8
61.01152	4.6
68.05034	25.4
69.05465	2.2
69.05817	30.2
69.08170	1.6
70.06589	3.4
71.23107	3.6
71.51948	1.8
73.01104	2.3
74.00668	19.3
75.70027	1.8
76.02231	57.4
76.03992	6.2
78.96780	1.9
84.04514	14.7
85.01127	18.7
85.04037	2.9
86.99065	4.8
87.02698	100.0
88.02200	3.1
89.05627	1.8
96.04468	3.8
99.05582	11.7
100.02203	6.6
101.01722	9.8
112.02193	7.5
112.03983	4.3
113.01706	6.5
116.01688	25.0
116.05315	23.9
117.03722	90.8
117.97807	7.4
117.99058	3.0
120.07464	1.9
122.00949	15.4
130.05011	20.2
131.04497	2.5
133.01425	6.7
134.06357	90.5
144.01155	9.9
145.06085	5.6
146.00911	2.8
151.03204	6.4
152.04012	3.0
153.04776	3.9
159.66492	2.0
162.02217	24.6
170.00940	8.9
170.03807	2.3
176.02000	21.8
177.03302	11.9
179.04836	28.0
185.00375	3.5
185.02042	73.7
204.04352	12.2
208.00986	5.3
214.20343	1.9
216.04358	6.8
221.00542	7.5
225.03674	9.3
234.00710	2.7
254.12657	1.9
279.02652	2.0
288.04703	64.5
289.05038	1.9
336.05133	3.3
337.03418	5.1
354.06235	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	4.1
55.01865	5.0
55.05512	43.2
57.03428	14.5
57.07066	9.3
62.20086	3.9
64.79489	3.0
65.03937	3.7
67.05506	90.7
67.05864	4.7
69.03419	6.4
69.07072	48.0
71.05003	3.6
71.08283	4.1
71.08636	60.4
71.57726	3.5
71.68896	3.3
79.05491	48.7
81.07061	100.0
83.04994	7.5
83.08620	20.7
85.06547	8.7
85.10197	4.0
91.05491	29.3
93.07053	47.8
95.04950	7.6
95.08614	65.7
95.09169	6.9
97.06537	11.0
97.10178	20.5
99.08098	44.0
99.54674	3.2
105.07024	22.5
107.08587	41.7
109.06487	4.1
109.10157	39.1
111.08105	6.7
117.06984	6.3
119.08569	13.1
121.10143	25.1
123.08046	3.8
123.11711	15.7
125.09637	12.4
131.08597	18.6
133.10121	7.4
135.11659	22.2
137.09509	4.0
137.13223	11.1
145.10132	10.6
147.11685	23.7
149.13266	13.2
151.14763	5.0
153.12772	6.2
159.11720	8.4
161.13223	5.8
163.14833	14.0
165.12813	9.8
173.11844	5.0
173.13251	12.4
177.16403	6.2
181.15855	8.6
187.14839	5.1
189.11259	4.8
233.22574	6.1
243.21077	17.2
243.69038	4.2
261.22147	51.2
265.38120	3.5
269.44418	3.7
279.23270	29.7
335.25781	5.1
345.16541	3.3
353.26804	78.0
354.33633	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
54.40834	2.3
55.05508	14.8
57.03427	4.6
57.07067	4.6
65.03935	3.9
67.05505	90.0
69.07057	10.0
70.76903	4.4
71.05000	4.4
79.05492	45.7
81.07056	100.0
83.08604	6.2
91.05476	20.1
93.07047	59.3
95.04931	2.9
95.08607	75.7
97.06520	3.1
97.10157	2.3
99.08095	3.1
105.07030	14.8
107.08590	38.5
109.10165	38.6
111.08054	4.0
117.07003	6.6
119.08569	15.7
121.10143	33.8
121.91985	2.7
123.11717	25.2
131.08560	21.0
133.10106	13.3
135.11687	32.0
137.13228	7.1
143.00174	2.4
145.10133	18.5
147.11700	12.4
149.13257	25.7
154.25786	2.2
159.11674	14.1
161.13301	12.4
163.14854	14.5
165.12688	2.4
171.37561	2.6
173.13261	18.2
175.14799	3.7
177.16403	5.9
187.14790	10.6
195.27464	2.4
201.16338	4.8
205.15910	2.6
215.91672	2.5
233.22623	4.1
243.21107	24.5
261.22150	99.7
262.22501	3.3
279.23199	2.5
335.25729	8.2
353.26910	26.7
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	9,11-methane-epoxy PGF1alpha
Peak:m/z	Relative Intensity
50.68841	2.8
53.03928	5.7
55.05515	14.9
56.73242	3.4
57.03434	6.7
57.07067	4.8
65.03933	5.7
67.05175	5.8
67.05511	90.7
69.07076	15.2
71.03708	6.9
71.04062	3.1
71.05007	3.4
73.85642	3.4
77.31272	2.6
79.05499	50.1
81.07063	100.0
83.08614	6.7
91.05474	21.1
93.07054	56.5
95.08616	69.1
97.06536	3.8
99.81454	3.2
105.07035	16.1
107.08591	39.2
108.08891	3.1
109.10163	45.8
117.07034	9.0
119.08586	9.8
121.10157	33.5
123.11703	21.2
131.08568	23.1
133.10112	14.1
135.11678	25.1
137.13243	10.4
145.10123	16.8
147.11688	12.3
149.13290	18.5
159.11740	15.2
161.13324	9.6
162.93636	3.3
163.14816	12.9
173.13274	11.7
177.16415	4.9
187.14870	11.5
200.48393	3.0
233.22627	3.4
243.21135	18.6
261.22168	87.7
276.63651	3.9
279.23206	5.7
335.25961	11.6
353.26807	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	353.2686
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
55.05507	13.5
57.07065	8.5
67.05511	18.4
67.78012	2.5
69.03434	3.6
69.07074	25.0
69.98170	6.5
69.98564	6.3
71.08633	20.1
79.05479	9.2
81.07058	34.7
83.08613	6.5
83.10951	2.9
91.05496	8.6
92.68333	2.5
93.07061	18.1
95.04964	9.0
95.08607	20.8
97.06512	4.6
98.21251	5.4
99.08111	18.0
105.07040	11.0
107.08604	11.7
109.06518	24.7
109.10169	9.3
117.07040	3.4
119.08563	15.1
121.06496	6.3
121.10075	5.5
123.11705	4.8
131.08614	4.4
133.10152	9.4
135.08069	5.0
135.11653	4.3
139.11157	5.5
145.10121	4.8
147.11681	4.2
149.09669	3.4
151.11258	3.2
161.13321	4.2
163.11252	4.3
165.12779	55.1
172.84183	3.2
175.14848	4.3
177.12738	5.4
179.14310	2.9
209.19092	14.9
262.92792	2.7
279.19534	3.1
279.38043	2.8
289.25146	25.4
307.26385	4.3
317.21069	4.5
317.24774	74.1
335.25787	100.0
336.26050	4.0
340.28772	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	2.7
55.05508	16.1
55.12352	1.7
57.07071	2.6
60.41788	1.6
65.03943	2.9
67.05509	87.9
69.07072	14.2
70.21001	7.2
71.04980	1.7
73.17302	1.9
79.05049	3.6
79.05496	45.7
81.07059	91.4
83.08607	7.5
85.06544	4.2
91.05473	20.1
93.07050	58.2
93.07628	3.6
95.04976	3.4
95.08612	65.9
97.06549	2.0
97.10182	2.2
98.20831	3.5
98.21387	3.2
99.08125	2.8
105.07051	14.9
107.08600	39.2
109.10162	33.9
113.09573	2.6
117.07021	9.8
119.08575	18.1
121.10146	33.2
123.11703	16.7
123.25944	1.7
131.08566	22.1
133.10153	11.5
135.11700	28.9
137.13231	7.2
145.10094	14.3
147.11702	9.9
149.13264	21.1
151.14815	3.5
159.11702	14.9
161.13260	7.2
163.14810	13.9
173.13272	16.9
175.14807	4.3
177.16409	3.9
187.14830	11.1
201.16476	4.0
233.18878	1.7
233.22647	5.0
242.67982	1.7
243.21049	20.7
261.22162	100.0
262.22461	3.5
279.23218	1.9
335.25787	6.5
353.26871	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03934	3.0
54.29160	1.4
55.05517	10.6
57.03426	5.8
57.07059	3.9
65.03940	2.7
67.05508	90.3
67.95628	1.5
69.07065	11.5
69.85580	2.7
69.85973	4.1
71.04982	2.2
71.08611	2.2
79.05058	2.5
79.05495	43.0
81.07059	89.0
83.08612	6.2
84.32520	1.5
85.06560	2.2
91.05484	21.9
93.06470	3.1
93.07047	61.2
95.04965	3.2
95.08611	71.1
97.06528	2.6
97.10140	1.7
98.21505	1.6
105.07028	17.9
107.08602	39.6
109.10162	38.9
109.43230	1.8
111.08093	1.8
117.07013	8.4
119.08561	16.2
121.09309	2.2
121.10143	33.4
123.11698	17.9
125.09655	1.4
129.41106	1.7
131.08568	19.2
133.10146	14.2
135.11705	22.9
135.58107	1.5
137.13261	7.2
139.11139	1.8
145.10138	19.4
147.11671	7.9
149.13272	20.9
151.14763	3.1
159.11725	13.1
161.13284	8.2
163.14821	14.1
173.13258	14.3
175.14824	3.6
177.16423	4.5
187.14861	9.2
189.16338	2.4
219.17447	2.2
233.22647	5.0
243.21106	22.5
261.22159	100.0
262.22586	3.0
279.23209	3.3
310.01978	1.5
335.25867	7.3
353.26877	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.6
57.03441	6.4
57.07068	6.0
65.03959	3.8
67.05508	94.8
67.05866	6.8
69.07059	16.0
75.04485	3.3
79.05500	45.8
81.07063	100.0
82.81976	2.7
83.08613	6.6
84.13686	3.6
91.05473	23.3
93.07049	60.1
95.04975	3.6
95.08611	78.8
97.06548	2.8
98.20850	11.8
98.21526	6.7
105.07043	16.4
107.08596	38.7
109.10168	40.4
111.07986	2.7
117.07017	8.7
119.08565	15.3
121.10147	29.3
121.33398	2.8
123.11691	24.2
125.23424	2.8
127.03854	2.6
131.08575	22.4
133.10135	12.2
135.11697	29.2
137.13240	6.8
145.10132	14.2
147.11699	11.3
149.13287	19.8
159.11703	16.2
161.13284	10.9
163.14822	11.0
173.13284	14.6
175.14787	3.5
177.16414	6.2
184.93602	2.8
187.14864	11.0
189.46051	2.6
195.61563	2.8
233.22826	3.0
243.21066	25.7
261.22153	94.9
279.23206	9.9
309.24597	2.8
335.25726	12.3
353.26947	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.05510	13.6
57.03429	5.2
57.07069	5.0
59.21672	1.5
65.03933	2.0
67.05505	82.0
69.07075	14.9
70.02579	4.1
70.02992	2.8
71.05003	2.2
71.08630	2.1
79.05057	2.9
79.05495	39.1
81.07056	100.0
83.08606	7.5
85.06535	3.6
91.05478	20.8
93.07044	52.7
95.04993	2.5
95.08610	67.1
97.06533	3.9
97.10142	2.2
98.20799	1.7
99.08071	2.2
102.25187	1.5
105.07037	15.9
107.08597	32.9
109.06493	1.8
109.10162	39.6
111.08079	2.7
117.07014	8.7
119.08578	13.9
121.10147	29.2
123.11719	17.4
131.08562	18.1
133.10106	11.0
135.10071	1.6
135.11691	24.8
137.13258	7.5
139.11249	2.1
145.10097	11.7
147.11691	8.3
149.13261	17.7
151.14789	3.7
159.11703	12.3
160.14883	1.6
161.13310	7.9
163.14804	11.8
171.45961	1.4
173.13271	16.3
177.16386	4.7
179.14262	1.3
187.14752	8.4
201.16307	2.3
205.15907	2.1
233.22681	3.9
243.21054	19.6
261.22137	85.3
262.22580	2.9
279.23157	7.9
291.22565	1.5
317.25110	1.7
335.25912	10.0
353.26788	25.2
379.58890	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
53.03942	1.5
55.01866	2.4
55.05512	10.9
57.03445	1.2
57.07076	5.3
67.05512	10.0
69.03416	1.7
69.07064	10.5
69.26991	7.3
69.27415	2.9
71.04971	1.1
71.08622	5.4
76.63110	1.2
77.37282	0.9
79.05488	6.6
81.07063	14.0
83.01345	1.3
83.04971	1.0
83.08633	7.7
85.06470	1.1
91.05483	3.3
93.07048	7.0
95.04974	2.5
95.08612	12.0
96.85524	1.0
97.06525	3.5
97.10167	1.9
99.08086	3.7
99.33769	1.1
105.07016	4.0
107.08599	6.5
109.06526	6.2
109.10164	5.9
111.04470	1.0
111.08081	3.8
113.39256	0.9
119.08583	3.4
121.06582	1.4
121.10143	4.5
123.08043	1.4
123.11733	2.8
125.06028	1.8
127.11249	1.2
133.10129	2.7
135.08061	2.2
135.11711	2.7
139.11209	2.5
145.10133	2.9
149.02367	1.4
149.09641	1.2
149.13269	1.5
159.11691	1.7
161.13177	1.2
163.11128	1.5
165.12785	4.5
166.33348	0.9
167.10696	1.9
175.14711	1.0
181.12166	2.2
193.05099	2.0
193.15892	3.8
209.19034	1.4
289.25244	3.7
307.26227	6.2
317.24719	8.1
335.25809	100.0
336.26151	2.9
353.26443	3.0
353.29739	2.0
353.79422	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78173	8.6
55.05502	24.5
57.07067	13.0
67.05498	31.2
69.07067	72.4
71.59273	12.7
79.05507	21.8
81.07050	52.4
83.08636	14.4
86.09703	13.3
91.05469	52.9
93.07047	60.6
95.04974	30.8
95.08606	91.9
97.06517	11.0
105.07025	66.4
107.08597	62.7
109.10173	36.1
111.08093	48.4
116.35301	7.2
117.07022	13.4
119.08586	100.0
121.06541	7.9
121.10150	70.2
123.11710	18.9
129.07048	8.7
130.35991	7.2
131.08577	48.9
133.10146	62.7
135.08061	18.3
135.11664	19.8
137.05971	91.6
142.07790	9.7
143.08563	20.1
145.10143	47.3
147.08080	27.6
147.11671	30.4
149.09648	23.0
157.10147	34.4
158.10921	9.1
159.08049	18.0
159.11700	31.8
161.09637	13.6
161.13283	12.3
171.11734	32.2
173.13301	14.5
175.14827	20.7
177.09023	18.2
177.16422	45.7
183.11700	28.9
185.13277	15.5
187.14922	13.2
189.16393	48.7
195.11711	10.4
196.12454	10.5
197.13298	14.4
199.14848	10.5
201.16444	15.2
209.13187	14.0
211.14832	15.8
213.16258	8.2
232.32344	7.1
239.18153	9.3
254.20354	9.4
267.21088	12.9
353.24744	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.9
67.05494	1.5
67.97044	0.8
69.07072	1.2
70.05924	3.5
70.06591	1.2
79.05477	1.4
81.07045	2.6
87.02680	0.8
91.05490	1.7
93.07047	2.3
95.04928	0.9
95.08611	1.7
97.06526	2.6
98.20940	1.7
98.21496	1.1
101.04256	1.9
105.07030	1.0
107.04926	1.1
107.08545	1.0
107.72352	0.8
119.08602	1.6
121.10109	1.2
130.06476	0.8
131.06960	0.7
131.08548	1.2
133.10153	1.1
133.96700	0.9
137.09634	0.9
145.10066	1.2
167.06371	0.8
176.02016	2.9
177.12837	1.5
178.03197	2.7
213.49509	1.0
215.11374	1.3
245.17381	0.8
248.24374	1.0
248.74065	0.9
324.27335	0.7
325.14243	1.8
335.21609	1.2
353.22980	100.0
354.23193	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01868	2.6
55.05511	3.0
56.05003	1.3
57.03429	1.9
67.05505	6.3
69.03428	4.2
69.07060	3.9
69.41602	8.4
70.06587	3.3
71.04995	7.3
72.08139	1.7
74.00630	1.2
77.70610	1.1
79.05490	8.9
81.03407	3.1
81.07072	6.1
83.04958	2.5
83.06094	9.9
84.04018	1.6
84.04502	12.9
84.08136	2.3
85.06561	1.1
86.09691	2.8
90.45367	1.2
91.05479	13.9
93.07053	10.8
95.04961	3.3
95.08611	9.3
97.06538	3.6
97.10159	1.0
98.21399	3.0
99.04459	12.8
101.07131	4.9
103.05481	1.9
105.07036	100.0
105.38413	1.0
106.07347	1.6
107.04931	3.1
107.08597	10.1
108.08969	1.2
109.02879	1.9
109.06509	3.4
109.10149	4.3
113.05988	1.0
117.07001	5.2
119.08591	11.8
120.08112	2.6
121.06516	6.4
121.10139	3.2
123.08076	13.3
123.11677	2.2
125.06014	1.4
125.09656	1.6
127.03876	1.0
128.06194	2.4
129.06595	37.3
130.05009	10.2
131.08562	8.6
132.86368	1.4
133.06490	3.0
133.10136	70.7
134.10521	1.4
135.08049	1.5
135.11671	3.3
136.06194	1.7
137.05975	2.3
137.09598	3.2
137.52977	1.0
141.07019	1.5
143.08641	2.4
143.44400	1.1
145.06520	1.6
145.10133	10.0
146.07262	2.2
147.07664	13.6
147.11702	1.2
149.09668	1.5
149.13362	1.1
151.07568	3.0
151.11143	4.6
155.08551	1.9
157.10107	1.8
159.08044	1.6
159.11719	1.9
161.09621	32.9
163.07607	1.2
163.11182	37.3
167.10759	1.6
169.10184	1.3
171.11618	1.5
173.09708	1.5
173.13260	1.8
175.11191	1.4
177.09082	1.1
179.10687	58.1
187.14803	2.5
189.09109	5.2
191.06935	1.4
191.10704	1.6
191.14185	1.2
197.13260	2.0
199.11172	3.0
201.12715	1.2
204.04729	5.5
207.10179	3.2
215.14394	1.8
224.12985	1.6
243.13710	2.6
247.07549	1.3
261.09158	1.4
261.14822	2.6
263.07254	1.6
271.06174	1.2
279.10498	1.2
290.13803	1.7
293.07855	1.5
321.07477	3.3
321.11038	1.4
327.32428	1.1
335.18549	1.9
353.06387	2.4
353.10144	3.2
353.13931	2.8
353.19614	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96297	2.9
56.96564	55.3
71.14748	2.4
74.97598	2.2
84.96011	4.3
96.48550	1.2
98.97594	26.1
100.98534	2.4
100.99152	35.8
101.04576	1.6
110.97548	21.1
115.13545	1.3
116.98598	10.5
119.00213	10.4
119.00923	2.0
119.01917	1.7
126.97056	4.4
128.98607	30.1
129.39561	1.2
131.00145	4.3
131.01862	1.5
134.99667	2.0
143.00175	3.3
144.98074	18.4
146.99661	26.3
149.01195	7.7
154.96437	4.0
158.99637	4.1
161.01195	1.7
161.04697	1.5
162.99139	15.0
163.03888	8.4
165.00714	20.7
167.02321	1.4
170.99655	4.5
172.97562	27.4
177.00673	4.1
179.02188	1.5
183.01747	4.7
189.00739	9.1
190.98634	67.5
203.02165	2.7
207.01724	3.1
208.99698	85.0
214.00319	1.7
214.98642	21.5
219.01718	2.9
221.03098	3.5
223.01100	1.6
225.01366	1.6
227.00685	7.2
232.01349	2.4
232.99689	100.0
237.02798	5.9
244.99651	11.5
251.00760	47.2
252.91898	2.2
255.01671	1.7
255.03938	3.7
263.00751	24.6
273.02896	1.7
274.02435	2.7
281.04950	2.1
293.01694	6.5
293.05408	6.3
311.06479	4.6
335.02710	5.5
352.98724	2.8
353.03836	9.7
353.08121	19.4
353.12527	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02855	0.5
55.05513	4.2
55.93484	0.6
60.04526	22.0
64.90439	0.5
69.07063	1.0
70.02930	1.2
70.06593	5.9
71.57030	0.8
72.08157	62.6
73.08497	0.7
74.83294	0.6
79.05481	1.1
81.07047	0.8
83.04984	0.8
84.04512	3.0
84.08161	3.3
85.06547	0.7
85.14459	0.6
86.09705	7.5
87.05598	13.4
88.03990	0.9
91.05466	1.6
93.07030	0.9
94.06563	1.5
95.08599	0.8
96.08126	2.0
103.05477	1.3
107.04981	0.9
109.10177	0.8
110.07195	1.0
114.09168	19.1
116.05296	1.1
119.04922	1.4
120.08108	26.6
121.08450	1.0
121.10205	0.9
129.09143	0.6
129.10220	2.9
130.04997	1.5
130.06502	0.7
131.08548	0.7
132.10191	1.1
136.06187	0.9
136.07568	5.5
138.09003	0.6
147.04402	2.3
147.07967	0.8
148.06180	0.7
150.09013	0.7
151.90143	0.7
155.10674	0.9
158.00938	1.9
159.11293	100.0
160.02510	0.9
160.11624	0.7
166.08638	13.7
176.01973	1.2
177.05406	0.7
187.10788	28.8
193.09761	2.2
207.11475	0.9
217.05060	1.0
218.02676	1.1
220.11917	2.1
264.15955	0.7
265.15552	1.1
320.04297	0.8
352.06540	1.5
352.17242	0.6
352.25845	0.8
353.20355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1615
Annotation	trans-Zeatin-riboside
Peak:m/z	Relative Intensity
55.01857	0.4
57.03428	0.4
57.07066	0.6
62.45027	0.3
67.05500	1.7
68.05032	0.3
69.03438	0.4
70.06598	2.2
70.16940	1.4
72.08162	1.5
79.05480	0.4
81.03404	0.6
81.86308	0.3
82.06541	0.4
84.04516	0.7
84.08136	1.3
85.10582	0.3
86.06076	0.3
86.09708	1.9
87.05586	0.4
91.05492	0.9
96.40129	0.3
98.20972	0.6
106.06560	0.5
119.03523	0.9
119.04956	0.8
119.08557	0.4
120.08125	1.1
129.10260	0.6
130.06558	0.4
136.06187	100.0
137.04555	0.9
137.06560	0.7
145.10139	0.4
146.06117	0.4
147.04384	0.5
148.06155	2.8
152.05681	2.9
153.03951	0.4
159.06635	1.4
162.05540	0.4
166.58409	0.3
173.08237	0.4
175.09808	0.6
176.07063	4.1
183.14897	0.3
185.08241	6.0
193.09764	1.3
202.10870	8.6
202.12729	0.4
219.71864	0.3
220.11932	92.9
221.12230	1.0
266.60394	0.4
267.07007	0.3
308.54724	0.3
334.09116	0.4
341.87457	0.4
352.16196	9.8
352.20908	0.9
352.25592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.8
54.70855	3.7
55.01864	6.2
55.05508	4.7
57.03423	6.5
61.02919	5.4
61.98133	4.9
67.05493	5.3
69.03429	43.0
69.07068	100.0
70.06580	9.7
70.88859	8.5
71.04996	5.7
72.08144	15.8
73.02908	5.0
81.03421	27.3
81.07043	10.1
84.04514	5.1
84.08127	8.6
85.02416	6.9
85.02905	98.3
86.09696	16.0
87.00825	44.2
87.04444	4.8
91.05460	5.6
93.07054	9.3
97.02891	62.4
98.21108	5.9
99.04453	22.6
105.01868	89.0
107.08612	6.2
108.48631	3.9
109.02885	30.3
111.08082	6.9
120.08124	8.4
127.03931	95.5
140.05441	4.0
145.04959	70.5
159.02905	15.5
159.11305	16.4
177.05511	7.0
187.10794	5.0
195.10190	8.1
213.14804	7.0
217.04977	5.8
223.04143	3.9
223.72604	4.3
225.45816	3.9
231.05025	28.4
242.63811	4.0
249.06015	14.9
273.81259	4.1
334.12668	4.5
334.16632	5.2
352.17465	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.05516	42.2
57.07068	13.1
67.05513	41.3
69.07069	60.4
69.39052	40.9
71.04980	8.5
79.05499	38.1
81.07057	71.3
83.04968	7.9
83.08608	18.2
91.05482	52.2
93.07053	97.1
93.59105	4.7
94.70779	5.1
95.04984	34.6
95.08608	76.2
97.06531	20.9
105.07031	96.7
107.08595	59.8
109.06483	11.0
109.10179	56.8
117.06997	18.7
119.08580	100.0
121.06519	9.5
121.10141	64.3
123.08067	9.2
123.11690	14.3
128.06219	12.0
129.07027	9.7
131.08574	48.4
133.10123	55.0
135.08124	14.6
135.11679	17.0
137.13203	6.6
142.07753	24.3
143.08569	32.1
145.10139	59.7
146.07266	6.2
147.08051	7.7
147.11705	30.0
149.09616	18.1
155.08559	6.9
156.09375	13.6
157.10146	54.3
159.11700	29.6
161.09654	47.3
161.13260	16.2
169.10077	12.7
170.10910	6.2
171.11688	32.0
173.13258	22.6
175.11143	11.7
175.14822	20.7
177.16365	11.7
183.11673	10.1
185.13303	15.9
187.14883	9.1
194.11023	7.2
195.11623	5.8
197.13298	8.8
199.14815	12.7
209.13286	12.2
215.18111	6.0
227.14326	6.8
255.21231	8.0
259.20511	8.1
281.31757	7.0
351.26718	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	3alpha,20alpha,21-Trihydroxy-5beta-pregnan-11-one
Peak:m/z	Relative Intensity
53.03939	1.8
55.01868	10.0
55.05259	1.4
55.05514	11.9
57.03428	2.3
57.07058	3.4
58.60844	1.1
61.56144	0.9
61.97799	1.1
62.58207	1.0
63.25864	1.2
64.36524	1.0
65.03941	1.2
67.05508	20.4
68.18713	1.1
69.03430	2.7
69.06714	1.4
69.07069	16.4
69.56067	2.4
69.56461	7.6
71.04962	2.0
71.08619	4.1
79.05495	14.5
81.07060	29.6
83.04976	4.5
83.08613	3.9
85.06537	2.4
91.05482	10.7
93.07046	22.3
95.04968	18.6
95.08613	21.5
97.06528	10.3
97.10156	2.3
97.20329	1.2
98.21231	4.4
99.08091	3.2
105.07003	13.7
107.04984	1.5
107.08593	10.3
109.06519	64.1
109.10168	6.1
111.08099	2.2
117.07027	2.6
119.08580	13.3
121.06503	13.1
121.10155	7.7
123.08078	5.1
123.11698	2.7
125.09683	1.2
126.43784	1.0
129.07053	2.0
131.08572	8.1
133.10106	5.7
135.08043	6.0
135.11711	3.1
137.09579	5.9
143.08540	2.8
143.10724	1.4
145.10112	10.5
147.11679	5.1
149.09599	4.5
149.13286	1.5
157.10120	1.7
159.11682	5.8
161.09624	1.2
161.13281	2.5
163.11176	10.9
165.12764	47.5
169.10103	1.2
171.11681	1.1
173.13248	5.7
175.11226	2.2
187.14844	1.9
191.14278	8.5
197.13252	2.0
215.14355	1.4
221.15349	3.4
229.14406	3.0
233.15385	3.2
243.21095	1.8
261.22198	6.5
271.20514	3.3
289.21622	64.5
290.21841	1.9
295.18939	6.5
307.22641	1.4
333.24295	4.0
351.25320	100.0
352.25650	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.7
55.01867	6.5
55.05511	34.5
56.33372	2.9
57.03178	4.5
57.03440	50.1
57.07071	3.9
67.05503	69.4
69.06756	3.6
69.07071	31.2
69.38721	25.9
71.04969	3.0
79.05051	5.2
79.05492	65.6
81.07057	94.8
83.08630	28.5
85.06532	4.9
85.39400	3.2
91.05479	56.4
93.06472	4.9
93.07047	100.0
95.04955	7.3
95.08054	4.8
95.08611	67.2
97.06507	4.5
97.10139	10.4
98.05367	3.5
98.64558	3.4
99.08086	5.1
102.81044	3.6
105.07027	64.4
107.08595	66.5
109.06528	8.9
109.10152	21.9
111.08076	4.5
117.06995	17.1
119.08587	41.7
121.10143	50.3
122.39079	3.6
123.08018	4.2
123.11701	5.6
129.06961	6.3
131.08577	20.9
133.10127	49.5
135.11703	46.4
137.09599	5.0
143.08527	6.3
145.10097	21.5
147.11690	49.1
149.09630	3.8
149.13249	30.6
157.10077	11.3
159.11731	21.2
161.13251	23.8
163.14824	6.4
171.11729	7.5
173.13258	10.0
175.14828	10.6
185.13289	13.5
187.14824	13.3
199.14815	4.5
205.15826	5.6
217.15637	3.5
221.18929	4.5
231.21091	8.0
239.25801	3.2
241.19458	18.9
259.20584	65.6
277.21667	28.5
278.25330	3.5
333.24176	11.4
351.25305	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05675	4.4
53.03954	12.3
55.01863	6.0
55.05511	32.7
57.03423	19.1
57.07074	10.4
57.25991	3.9
65.03915	5.7
66.61900	4.4
67.05504	100.0
69.07063	31.9
71.04993	7.4
71.08635	49.7
71.58134	9.6
79.05499	85.5
81.03411	12.0
81.07056	97.4
83.04978	13.7
83.08619	19.3
85.06561	8.5
91.05484	75.8
93.07050	93.3
95.04967	14.3
95.08608	43.3
97.06537	9.2
97.10168	10.5
99.08095	44.6
102.57885	4.5
105.07036	69.5
106.36303	5.7
107.04939	5.7
107.08585	57.4
109.06545	9.8
109.10163	19.3
111.08112	8.0
117.07018	19.4
119.08595	55.8
121.10136	32.2
123.11701	7.8
125.09641	13.5
129.07013	11.5
131.08580	23.5
133.06482	7.0
133.10133	41.8
135.11693	38.7
137.20183	5.2
143.08542	11.4
143.83699	4.1
145.10150	23.1
147.11676	49.9
149.13287	23.2
151.11198	23.3
157.10107	5.8
159.11682	21.5
161.13246	45.3
163.11183	11.8
163.14798	9.4
165.12805	8.4
171.11748	17.9
173.13303	13.4
175.14824	16.8
177.12772	4.8
177.73692	4.4
179.14301	29.5
185.13266	12.1
189.12703	6.0
199.14857	6.3
206.49792	4.6
229.87238	4.8
231.21057	15.3
239.51096	4.2
241.19508	35.4
259.20602	81.6
263.44031	4.6
264.45807	4.6
270.87054	4.9
277.21774	39.8
333.84970	4.5
351.21387	12.5
351.25363	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one
Peak:m/z	Relative Intensity
50.46363	3.0
53.03939	6.2
55.01870	8.0
55.05513	37.7
57.03448	32.1
65.03938	3.3
67.05170	5.5
67.05505	81.0
68.15521	2.7
69.07075	43.3
71.02673	5.7
71.08626	13.1
79.05495	77.6
81.03427	3.4
81.07060	94.5
83.04984	8.7
83.08622	27.5
85.06529	7.2
91.05483	61.7
93.07050	100.0
95.04971	13.5
95.08042	4.8
95.08607	58.9
97.06529	13.6
97.10189	6.2
99.08089	6.6
105.06377	5.5
105.07036	63.6
107.08595	55.0
109.06512	5.4
109.10152	29.1
111.08060	6.5
117.07046	16.4
119.08590	50.9
121.10149	53.6
123.08040	4.7
123.11671	8.8
129.07004	10.3
131.08578	22.5
133.10136	48.1
135.11697	41.7
137.09630	5.1
139.11153	5.0
143.08594	7.1
145.10109	21.5
147.11700	45.4
149.09660	4.2
149.13248	23.4
151.11154	10.6
157.10179	9.5
159.11702	14.7
161.13237	27.1
163.11147	3.9
163.14836	8.7
165.12720	5.9
171.11668	12.4
173.13333	6.7
175.14777	16.2
177.12756	6.0
179.14282	15.9
185.13237	11.8
187.14867	8.7
189.12714	3.7
199.14816	6.2
202.34535	3.5
216.84302	3.7
219.03336	3.5
231.21005	6.3
241.19495	20.3
241.85495	3.0
259.20578	79.2
277.21619	33.5
351.25360	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01867	3.1
55.05515	17.9
57.03429	5.5
57.07082	3.1
67.05510	42.6
69.07064	14.7
69.68300	12.9
71.04986	3.3
71.08620	2.6
78.60715	2.0
79.05495	59.1
81.07059	49.6
82.17879	2.3
83.05000	2.9
83.08624	6.2
85.06554	2.5
91.05489	60.7
93.07045	77.8
93.07626	4.4
95.04959	6.1
95.08603	31.5
97.06516	3.4
97.10157	3.1
98.21446	4.0
99.08101	4.0
105.07032	61.8
106.07365	1.9
107.08595	46.1
107.09287	3.1
109.06545	10.4
109.10180	11.2
113.09642	3.1
117.07024	14.7
119.08583	53.7
121.06475	2.9
121.10149	30.5
123.11761	4.0
128.06247	3.4
129.07025	8.3
131.08591	19.6
133.10133	47.9
135.11693	32.0
137.09657	2.8
143.08559	7.1
144.20613	2.0
145.10120	22.9
147.11697	51.1
149.09630	2.8
149.13254	23.4
151.11163	2.2
157.10136	8.8
159.11696	18.2
161.13268	36.4
163.11177	3.4
163.14847	4.8
165.12723	8.0
171.11690	13.5
173.13264	8.2
175.14828	13.6
177.12796	3.3
185.13301	13.0
187.14845	4.3
189.12741	2.0
199.14856	7.6
213.16409	4.6
221.13380	2.2
231.17519	3.6
231.21107	6.9
241.19502	30.5
259.20581	100.0
277.21555	4.7
289.21664	9.0
291.29193	2.2
300.13959	2.1
333.24472	2.9
351.25333	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.6
55.05510	17.3
57.03438	10.9
57.07092	2.8
65.03952	3.3
67.05505	57.7
69.07063	15.4
69.70554	6.4
71.05003	2.9
71.08634	1.9
75.04488	3.1
77.03940	1.6
79.05494	71.8
81.07059	57.4
83.05002	3.0
83.08627	9.1
85.06550	3.0
91.05482	55.8
93.07047	100.0
95.04971	9.5
95.08604	40.3
97.06525	3.8
97.10216	3.1
98.20758	3.1
99.08091	4.1
105.04559	2.7
105.07029	57.2
107.08601	62.5
109.06564	5.5
109.10157	15.7
111.08080	2.5
113.09663	2.9
117.06995	9.9
119.08585	46.3
119.09453	2.8
121.10147	45.1
123.11790	5.4
125.09692	2.7
128.06284	2.1
129.07045	5.9
131.08575	21.0
133.10136	47.8
135.11694	50.2
135.12683	3.0
143.08607	9.8
145.10130	26.0
147.11691	47.5
149.09676	3.4
149.13261	31.2
149.14343	2.2
157.10110	10.0
159.11728	18.5
161.13271	33.5
163.11235	4.6
163.14893	5.7
165.12764	5.4
167.08543	2.1
171.11705	14.7
173.13255	9.9
175.11221	1.6
175.14842	12.8
175.16183	1.9
177.12808	3.8
185.13330	10.9
187.14952	2.5
189.12674	1.9
191.14621	1.5
193.10239	1.7
199.14807	10.1
213.16505	4.2
221.13162	2.1
231.17415	2.9
231.21043	7.5
241.19490	27.3
249.18633	3.1
259.20584	87.5
261.22122	4.0
277.21686	16.9
289.21915	3.0
333.24277	9.5
351.25458	72.9
352.25830	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.05517	16.8
57.03430	8.2
57.07071	2.4
62.68257	2.0
67.05160	3.4
67.05503	42.2
69.07072	16.4
71.04991	2.5
71.18701	2.8
71.19034	3.1
75.04462	3.1
76.86346	2.3
79.05061	3.4
79.05497	60.8
81.07060	61.1
83.08612	6.9
91.05482	48.8
93.07055	90.5
95.04955	6.8
95.08608	39.9
97.06499	6.4
99.08085	2.9
105.07037	57.9
106.07368	2.0
107.07869	2.9
107.08600	58.5
109.06525	6.0
109.10174	13.6
113.09669	2.5
117.07027	11.3
119.08588	60.0
121.10142	46.2
123.08055	2.6
123.11732	2.7
128.06210	2.6
129.06998	7.6
131.08577	21.0
133.10144	51.1
135.08061	3.2
135.11703	47.9
143.08592	12.0
145.10107	23.0
147.11691	60.1
149.09654	3.7
149.13263	26.1
157.10121	8.7
159.11714	20.6
161.09749	2.9
161.13263	35.9
163.11217	2.2
163.14799	10.0
165.12717	3.8
171.11714	14.0
173.13274	10.8
175.14847	13.2
177.12709	4.4
178.66788	2.1
181.12112	2.1
185.13286	17.5
187.14807	2.9
189.12694	2.4
191.14339	2.2
199.14857	8.6
213.16394	5.7
217.19415	3.3
218.88919	2.1
231.17418	3.6
231.21126	5.9
241.19528	34.3
259.20593	100.0
261.22028	2.4
277.21594	12.0
289.21558	3.8
294.95221	2.3
333.24213	8.1
334.92816	2.0
351.25339	65.5
352.25616	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
59.73032	0.6
62.39804	0.6
70.01832	3.3
81.07069	0.9
88.06978	0.6
90.66407	0.7
98.21040	1.3
120.97926	0.6
130.16937	0.6
142.96741	0.6
159.24696	0.6
215.11310	0.7
351.21411	100.0
352.21735	2.3
369.90634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55499	5.0
69.03426	16.6
69.61510	34.1
70.06583	18.0
72.08152	16.8
77.75690	4.8
79.05489	12.0
81.07064	7.0
81.17039	5.5
84.04508	12.8
84.08155	8.4
85.02898	7.5
86.09713	20.3
91.05502	7.3
93.03334	6.0
93.07007	7.3
97.02926	6.7
97.06490	6.0
98.20749	9.6
101.42740	4.9
105.07024	14.4
106.73882	5.0
108.08176	5.3
120.08097	15.1
130.06540	58.4
131.08530	8.0
133.06468	37.8
133.10144	6.0
136.06209	23.9
141.06958	5.9
147.33264	5.7
158.54208	4.8
159.08034	10.2
161.06000	6.2
161.09683	7.2
171.11356	6.8
177.06572	8.5
187.94708	4.9
189.09109	100.0
231.08676	5.2
237.07364	11.4
246.67221	6.0
308.06915	6.2
333.13855	9.9
351.08563	10.8
351.14511	11.4
351.18829	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	351.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
53.76998	1.2
55.01875	8.3
55.05508	9.5
55.84103	0.9
57.03428	2.4
57.95002	0.9
65.03951	3.1
67.05510	9.1
69.03426	2.2
69.07066	3.3
69.56065	6.6
70.06596	1.6
70.30975	1.0
71.04994	1.2
78.20200	1.0
79.05492	13.9
81.03423	4.8
81.07066	9.9
83.01353	1.2
83.04996	1.9
83.08626	3.6
84.04514	1.0
84.08126	1.0
85.02881	1.4
91.05484	15.6
93.03412	2.4
93.07027	5.9
95.01336	3.1
95.04967	4.6
95.08627	3.8
97.02890	2.6
97.06539	4.6
97.10168	2.2
98.21154	3.8
103.05482	3.8
105.03397	2.9
105.07037	11.3
107.01304	1.1
107.04961	7.0
107.08592	3.9
109.02882	5.5
109.06504	2.3
109.10168	2.7
111.04399	1.8
115.05468	3.4
116.06218	1.3
117.07012	7.5
119.04951	4.1
119.08590	5.4
121.02869	3.9
121.06501	2.3
121.10162	1.9
123.04459	2.6
123.08139	1.1
125.02344	2.5
125.09534	1.4
128.06212	2.8
129.07036	6.5
130.06561	2.2
131.04951	6.4
131.08530	6.1
133.02879	1.6
133.06508	5.2
133.10146	4.0
135.04439	5.4
135.08073	1.8
137.05991	2.2
137.09625	1.3
139.03923	1.5
141.07007	3.9
142.07791	1.7
143.08568	4.5
145.06523	6.5
145.10141	2.7
147.04425	5.9
147.07996	2.7
149.02356	6.7
149.06027	1.3
149.55240	1.2
151.03944	3.4
153.06966	1.4
154.07805	1.4
155.03447	1.1
155.08591	3.7
157.06508	2.9
157.10182	2.5
159.04425	2.5
159.08060	2.2
159.11757	1.6
161.02391	1.7
161.06012	5.2
161.09622	3.0
163.03906	5.3
163.11226	1.3
163.16496	0.9
165.01915	2.0
165.05661	1.3
165.07043	2.7
167.08604	1.9
169.10117	2.2
171.04434	1.6
171.08044	3.0
171.11771	2.7
173.02327	1.2
173.06029	6.2
173.09686	3.8
175.03902	6.5
175.07556	1.9
175.11194	1.9
177.05487	2.7
179.03448	3.0
179.08621	1.5
181.04973	1.5
181.06546	1.3
181.10104	2.5
183.08121	2.7
183.11658	1.2
185.05983	2.3
185.09671	2.3
185.13339	1.5
187.03944	3.4
187.11240	2.6
189.05466	9.4
189.07079	1.3
189.09088	1.7
191.03383	2.5
191.07079	1.4
195.08147	1.5
195.11711	1.5
197.04523	1.1
197.09674	1.5
199.11296	2.0
201.05507	2.7
201.12799	1.2
203.03363	1.1
203.07037	1.7
203.10687	2.5
205.05020	1.7
205.12201	1.7
208.01981	1.1
211.11183	1.1
213.05562	1.8
213.12770	4.2
215.10696	3.0
217.05020	3.7
217.12273	1.1
221.04459	12.1
223.05974	1.5
223.11241	4.0
225.09132	1.5
227.10748	3.1
231.10208	1.2
231.13820	2.9
233.11700	7.4
235.06023	3.3
239.10672	1.4
241.08536	1.1
241.12274	5.8
243.10281	2.9
243.13751	1.6
245.11702	2.0
251.10725	3.1
255.10228	2.6
259.13312	6.9
261.11298	1.6
267.10120	1.3
269.11819	7.0
271.13452	1.6
277.10916	5.0
279.10193	3.7
287.12848	14.0
289.10699	1.6
297.11252	6.4
303.12329	1.2
305.13931	6.3
315.12292	21.3
333.13324	100.0
334.13489	2.0
351.14139	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.1
53.03947	3.2
55.01876	8.1
55.05518	9.4
57.03424	2.6
64.81029	1.0
65.03934	3.2
67.05500	10.4
69.03419	3.8
69.07056	2.6
70.06594	2.4
71.04972	1.6
72.78034	0.9
79.05495	12.8
81.03418	6.6
81.07049	9.8
83.04960	2.5
83.08607	2.7
84.04517	6.4
84.08154	1.6
85.02911	4.8
91.05484	13.4
93.03380	1.6
93.07050	9.6
95.01334	2.4
95.04977	6.1
95.08621	3.7
97.02887	2.4
97.06516	1.8
97.10169	3.0
99.04449	1.1
103.05486	3.3
105.03388	2.8
105.07032	15.8
107.04950	7.1
107.08557	5.1
109.02901	3.3
109.06577	1.4
109.10172	2.5
109.40620	0.9
110.03035	1.0
114.09146	1.1
115.05474	2.7
117.07021	8.4
119.04943	2.8
119.08568	6.1
121.02871	2.8
121.06502	3.7
123.04417	2.2
123.08095	2.2
125.02404	2.6
125.06040	1.3
127.03938	2.2
128.06229	3.4
128.07104	1.6
129.07056	6.0
130.04993	4.3
130.07825	1.1
131.04941	4.7
131.08565	4.7
133.02882	1.7
133.06497	6.1
133.10123	8.0
135.04417	5.7
135.08087	1.2
135.11731	1.3
137.05943	1.9
139.03918	1.1
141.07018	3.5
143.08533	4.7
145.06494	6.6
145.10110	3.4
146.11826	1.1
147.04382	6.2
147.08025	1.7
149.02335	6.3
149.05978	1.8
149.09653	1.8
151.03902	3.3
151.07515	1.4
153.07018	1.9
154.07901	1.1
155.03447	1.6
155.08559	3.5
157.06462	3.0
157.10132	2.7
159.04411	2.4
159.08067	1.3
159.11694	1.5
161.02432	1.4
161.06001	4.4
161.09648	6.5
163.03902	4.5
163.11218	2.6
165.01830	3.2
165.05536	2.1
165.06944	2.3
166.07780	1.3
167.03473	2.0
167.08582	2.6
169.10214	2.6
171.08069	2.6
173.02435	1.7
173.06047	5.8
175.03911	6.2
175.07388	1.2
177.05544	3.0
179.03354	2.1
179.08598	1.7
181.04948	1.0
181.06448	1.8
181.10121	1.8
183.08092	1.9
183.11711	2.6
184.08852	1.3
185.06000	1.4
185.09685	2.9
187.03842	1.6
187.07536	2.3
187.11159	2.6
189.05522	7.7
189.09097	2.1
191.03429	2.7
195.11690	2.5
197.04451	1.8
197.06107	1.5
197.09634	1.5
199.03880	1.7
199.07524	1.3
199.11232	2.9
201.05576	2.1
201.09087	1.4
203.07106	1.8
205.04951	2.0
205.12225	1.8
207.02887	1.5
207.08167	1.0
207.11868	1.2
209.09698	1.4
211.11212	1.0
213.09084	1.7
213.12733	2.2
215.10733	2.3
217.04977	3.1
217.12248	2.2
221.04491	11.7
223.11157	2.5
225.09053	1.6
227.07104	1.5
227.10678	3.2
229.12370	1.4
233.11717	7.3
235.05952	2.3
237.09117	1.3
238.18051	2.7
241.08704	1.6
241.12263	6.4
243.10155	2.9
244.22784	2.2
245.23070	3.3
251.10730	4.3
253.08437	1.4
255.10240	2.2
259.13272	6.1
261.11237	2.6
265.09567	1.1
269.11777	7.9
277.10727	3.7
279.10117	3.2
287.12762	12.9
289.10928	1.5
297.11258	6.8
303.12274	2.7
305.13849	6.7
315.12241	22.4
333.13315	100.0
334.13629	3.3
350.29047	3.0
351.14136	6.0
351.17953	1.3
351.29303	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28395	1.0
53.03934	3.3
55.01869	8.9
55.05499	9.7
57.03433	3.6
60.16658	1.2
63.86273	1.2
65.03946	2.7
67.05507	10.0
69.03420	5.4
69.07058	5.4
70.06590	2.0
70.24477	4.5
71.04987	2.3
72.08131	1.1
79.05483	15.5
80.99007	1.2
81.03401	9.1
81.07058	14.3
83.01334	1.6
83.04985	1.8
83.08626	3.2
84.04505	5.3
84.08141	1.7
85.02900	4.0
85.06542	1.3
86.09708	1.4
86.44144	1.1
86.69801	1.1
87.04501	1.6
91.05483	20.2
91.06007	2.1
93.03402	3.0
93.07043	12.0
95.01305	2.0
95.04959	6.3
95.08614	4.1
97.02891	4.8
97.06502	1.7
97.10180	2.5
99.04456	2.2
101.48453	1.2
103.01795	1.1
103.05469	4.6
105.03381	2.4
105.07034	35.9
107.04942	7.5
107.08597	6.5
109.02872	5.4
109.06505	2.5
109.10168	2.5
111.04430	2.0
115.05460	4.1
117.07030	10.5
119.04946	5.3
119.08584	9.0
121.02877	2.7
121.06494	5.2
121.10143	3.2
123.04412	3.6
123.08054	1.5
125.02336	2.7
125.09673	1.6
127.03921	4.4
128.06223	4.8
129.07013	9.1
130.05002	3.6
131.04926	4.6
131.08569	7.6
133.02844	2.1
133.06464	6.6
133.10132	19.2
135.04419	7.8
135.08073	2.3
135.11707	1.2
137.02214	1.2
137.05956	2.4
137.09525	1.6
139.03920	1.4
141.06987	4.5
142.07857	1.5
143.04941	1.9
143.08557	5.1
145.02824	1.5
145.06516	6.3
145.10071	7.4
147.04388	5.7
147.08044	1.8
147.11711	2.1
149.02354	3.4
149.05986	2.2
151.03882	2.6
153.06969	2.4
154.07762	2.5
155.08557	3.7
157.06470	3.7
157.10133	4.5
158.07271	1.3
159.04482	3.0
159.08080	2.8
159.11714	1.7
161.02344	3.2
161.06001	7.2
161.09624	15.2
161.13255	1.6
163.03891	4.2
163.11188	5.7
165.01843	2.6
165.05550	1.7
165.06998	2.7
166.07800	2.0
167.08562	3.5
169.10149	2.9
171.04446	1.2
171.08060	5.0
171.11624	1.6
173.02328	2.0
173.06007	6.3
173.09641	3.5
175.03912	7.3
175.07539	3.9
175.11201	2.7
177.05461	2.5
178.07700	1.4
179.03407	2.2
179.08545	2.5
179.10614	1.8
180.09206	1.3
181.10120	2.0
183.08028	2.2
183.11736	1.7
185.06018	2.9
185.09569	2.5
185.13173	1.9
187.03891	3.7
187.07567	2.6
187.11212	2.9
189.05463	7.0
189.09134	5.3
189.12749	2.7
191.03378	1.9
193.05013	1.5
195.08037	1.6
195.11775	2.3
197.09673	2.3
199.07625	1.5
199.11235	1.9
201.05421	2.9
201.09186	1.4
203.10696	2.0
205.04936	3.0
205.10284	1.2
207.02870	1.5
213.05496	1.3
213.09215	1.7
213.12717	4.4
215.10735	2.1
217.04878	4.1
217.12186	2.1
221.04456	15.8
223.11203	2.3
225.09108	2.6
227.10760	2.6
231.13747	2.2
233.11739	7.3
235.05936	1.9
238.18042	1.3
241.12215	6.4
243.10284	3.7
243.13646	1.4
245.11684	1.9
251.10687	4.7
253.12309	1.4
255.10226	2.5
259.13254	5.6
269.11722	10.1
277.10690	3.1
279.10229	1.7
287.12735	13.3
297.11252	8.8
303.12299	1.9
305.13788	8.1
308.06805	1.1
315.12256	24.2
323.14746	2.0
333.13315	100.0
334.13739	1.4
351.14502	11.0
351.23050	2.7
359.34467	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01873	10.4
55.05500	8.9
65.03943	2.8
67.05505	11.4
67.29652	1.8
69.03427	4.6
69.07050	6.7
70.06586	3.0
71.05036	1.8
71.58363	2.1
77.36505	1.8
79.05495	19.5
81.03425	9.1
81.07056	17.2
83.04974	2.3
83.08617	4.6
84.04515	2.3
84.08166	2.7
85.02924	3.8
91.05487	20.6
93.03401	2.6
93.07054	11.8
95.01292	3.1
95.04971	8.5
95.08595	6.7
97.02885	3.1
97.06513	7.1
97.10148	4.6
99.08133	2.0
103.05444	5.7
105.07038	28.5
107.04934	7.1
107.08591	6.9
109.02867	5.6
109.06535	3.1
109.10136	2.5
115.05450	5.6
117.07009	12.2
119.04929	3.7
119.08582	10.4
121.02864	3.3
121.06511	2.6
121.10140	2.2
123.04447	2.3
125.02341	2.2
125.06001	3.5
127.03920	4.2
128.06265	3.9
129.07002	8.3
131.04947	5.3
131.08551	6.7
133.06480	7.6
133.10161	13.0
135.04407	5.6
135.08026	5.4
137.09644	2.3
141.06955	3.0
143.07216	2.3
143.08553	7.4
145.06497	8.6
145.10124	4.8
147.04390	6.1
149.02367	5.2
149.06007	3.5
153.06926	2.3
155.08566	3.7
157.06480	3.5
157.10130	4.5
159.08113	2.5
161.02408	2.5
161.05974	7.1
161.09555	11.4
163.03912	4.1
163.11208	3.2
165.01909	2.6
165.05521	1.9
165.06998	2.1
167.08560	4.0
169.06453	2.4
169.10106	5.5
171.08096	4.7
173.05983	5.6
173.09512	2.2
175.03873	6.1
177.05463	3.9
179.03375	2.5
183.08005	2.7
185.06033	2.2
185.09602	3.4
185.13261	2.8
187.03896	3.9
189.05513	8.2
189.09102	3.2
193.10374	2.2
195.08031	3.2
197.09633	3.1
199.11220	2.4
204.02348	2.7
207.10132	2.0
213.05434	2.1
213.12691	4.6
215.10599	3.3
217.04984	3.5
217.12210	3.0
221.04384	9.6
223.05983	1.9
223.11217	5.6
225.08920	2.3
225.12816	2.5
227.10698	3.8
231.13597	2.1
233.11722	7.8
235.05872	2.5
241.12178	5.5
243.10265	3.7
245.11755	3.0
251.10721	2.0
259.13193	4.7
261.50241	2.0
269.11679	9.8
277.10666	4.4
277.14050	2.4
279.10129	2.2
287.12842	12.6
297.11313	8.2
298.44324	2.3
305.13843	7.0
315.12289	24.8
320.49622	2.0
333.13336	100.0
334.13531	2.9
351.14038	8.9
351.21387	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	351.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	44.1
61.95069	1.1
69.03435	1.2
70.06611	5.6
70.98154	1.2
71.56623	1.8
72.08158	2.3
72.96030	1.1
74.97607	1.6
81.03426	1.9
81.07064	1.1
84.04499	3.3
84.08153	14.1
84.96034	6.8
85.02915	1.4
86.09692	1.5
89.03918	1.3
98.97592	99.3
100.99146	1.8
101.00903	1.2
110.07178	3.1
110.97594	11.2
112.99129	2.4
116.07008	1.1
116.98632	50.8
119.00198	1.5
119.01936	2.6
120.08118	13.4
124.99122	1.8
126.97102	1.4
127.08629	1.1
128.98621	19.2
129.02284	1.5
129.10255	7.8
130.08670	3.6
131.00179	3.6
131.01881	1.6
134.99660	21.4
135.04430	3.4
136.06184	2.1
136.07529	1.1
139.19261	1.3
140.00185	1.9
140.98567	1.9
143.00198	5.0
144.98102	4.4
145.01741	3.9
145.02805	2.5
146.99684	15.4
147.03290	8.1
147.04417	2.9
147.11290	3.8
149.01210	2.7
152.98636	3.5
153.00745	1.2
158.99680	31.6
159.00993	1.8
160.30432	1.2
161.01204	5.8
162.99174	5.5
163.02744	4.8
163.03951	10.9
165.00758	3.5
165.04387	7.3
170.99664	4.1
171.03224	1.4
172.97562	1.4
173.02939	1.5
175.02771	1.7
177.00719	41.6
177.10281	1.8
186.12415	1.2
189.00711	4.8
189.02782	1.7
189.04318	10.0
190.98669	3.2
193.00223	2.3
193.03752	3.2
193.07529	1.1
195.01794	4.7
195.05281	1.4
200.02390	2.3
201.00739	2.3
201.04321	1.8
204.13527	1.2
207.05403	4.3
208.99634	3.4
209.01367	1.9
209.03024	1.3
216.95944	1.5
219.01790	21.9
219.05312	2.1
221.03004	2.3
225.00798	2.2
227.02318	1.4
231.05455	5.0
234.96921	13.5
237.00659	1.9
237.02834	42.5
239.04030	1.5
243.05447	1.4
248.94868	2.3
249.06458	3.8
251.04434	2.4
252.97969	21.8
253.00259	7.2
255.01662	2.8
255.03961	4.2
257.98651	1.4
260.98471	4.8
271.01294	1.9
273.02902	2.8
278.99487	3.8
290.96100	1.2
291.07538	38.3
293.01578	1.4
307.01331	1.6
309.04697	4.2
309.08563	100.0
310.08960	2.3
332.10144	5.3
350.98126	2.4
351.09689	36.5
351.20245	2.5
354.23785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81084	2.7
55.05505	15.7
57.03408	4.1
59.04987	3.7
67.05491	9.8
69.07056	11.5
70.06589	17.6
70.94241	6.7
70.94609	3.9
71.04983	9.1
72.08141	7.7
79.05466	9.6
81.03401	8.9
81.07058	24.1
83.04970	4.5
83.08601	13.5
83.09049	3.6
84.04514	5.4
84.08122	10.4
85.02904	17.9
86.09699	20.4
91.05476	9.8
93.07045	48.9
95.08611	37.2
97.02911	3.3
97.06548	19.6
101.09635	5.5
103.05556	3.1
105.07008	6.1
107.08597	67.9
109.02839	3.1
109.10159	29.8
110.07146	5.6
110.40587	2.9
119.08576	4.1
120.08088	13.2
121.09945	3.0
122.02728	4.1
123.04440	31.3
123.11707	13.5
124.07592	22.6
127.03884	5.7
128.03442	7.3
130.03186	10.6
130.05002	4.9
130.06505	4.2
135.11699	100.0
135.12698	7.1
136.06204	5.0
142.74562	3.6
145.04979	3.1
153.12741	45.2
157.07574	4.2
157.10068	3.5
161.09636	3.5
171.13809	47.3
174.04074	17.4
174.05290	3.5
211.13261	9.6
246.11270	26.5
264.12283	5.8
316.96259	3.0
350.19559	3.8
351.08392	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.7
57.03434	6.6
57.07070	13.2
67.05511	43.2
69.03429	7.9
69.07069	28.6
71.04987	6.8
71.58113	7.8
71.58475	7.1
79.05499	39.6
81.07059	45.1
83.08632	10.2
89.05997	10.1
91.05489	58.9
93.07037	71.2
95.04972	39.7
95.08647	31.1
97.06532	20.7
98.21081	6.1
103.20839	5.7
105.07025	100.0
107.08600	58.2
109.06506	12.5
109.10145	35.3
115.05452	6.4
117.06992	17.0
117.20142	5.3
119.07793	7.4
119.08591	92.3
121.06535	12.4
121.10158	86.1
121.56441	5.9
123.08012	6.8
123.11729	10.7
128.06264	12.4
129.07014	15.9
131.08569	51.5
133.10144	57.4
135.07994	13.4
135.11670	16.4
142.07732	18.9
143.08554	28.1
145.10118	55.3
147.08037	13.1
147.11703	14.6
149.09633	14.3
155.08498	11.5
156.09235	8.2
157.10179	51.1
159.11705	27.9
161.09589	18.7
161.13190	9.7
169.10127	25.0
171.11708	12.8
173.13234	22.6
175.14784	12.4
179.08464	8.6
181.10103	17.1
183.11687	18.3
185.13278	12.2
187.14780	15.3
194.10770	7.1
195.11629	13.1
197.13229	22.1
199.14883	15.2
209.13252	17.1
211.14774	10.9
213.43526	6.0
225.16316	8.7
227.14284	8.1
265.19278	9.8
275.20038	10.8
324.23886	6.5
349.25232	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50296	3.6
53.03955	4.2
55.05510	19.2
57.07066	9.3
58.34076	3.4
64.00191	4.2
67.05509	41.0
69.07066	19.5
71.04997	4.6
79.05502	33.1
81.07065	58.5
83.08600	4.6
89.05999	5.0
91.05472	49.5
93.07057	60.0
95.04984	32.2
95.08054	4.5
95.08615	55.8
97.06507	11.7
98.20718	11.1
98.21449	14.7
103.51561	3.5
105.06476	5.0
105.07037	100.0
107.08603	47.9
109.06500	10.4
109.10164	45.5
115.05462	4.2
117.07047	19.8
117.36384	4.0
119.08587	82.0
121.06509	9.2
121.10158	75.8
123.08046	8.9
123.11756	21.3
123.12452	4.5
128.06226	7.0
129.07010	13.1
130.07782	7.4
131.08592	42.2
133.10146	51.8
135.08022	12.9
135.11713	19.5
141.06996	7.2
142.07774	15.4
143.07620	4.3
143.08563	28.5
144.09280	6.5
145.10136	60.8
147.08101	4.5
147.11687	23.1
149.09596	5.5
149.13223	4.5
154.07852	4.5
155.08556	16.1
156.09314	11.6
157.10139	52.4
158.10957	6.4
159.11674	26.5
161.09639	17.6
161.13226	12.2
167.08566	10.1
169.10187	19.9
170.10941	6.9
171.11708	23.8
173.09625	4.8
173.13266	18.3
175.11159	6.1
175.14845	14.6
179.08545	15.6
181.10115	12.7
183.11708	15.6
185.13275	13.6
187.14821	16.3
194.10858	11.5
195.11803	19.1
196.12431	6.2
197.13197	21.5
199.14812	12.0
200.15596	5.7
201.16345	5.4
207.11697	4.7
209.13257	21.1
210.14063	5.3
211.14818	11.7
213.16443	6.4
219.11626	6.7
221.13298	5.8
223.14859	7.7
225.16393	6.2
227.14265	14.3
235.14760	5.9
237.16327	5.6
239.18034	7.8
251.18211	4.9
253.19440	4.1
255.17245	4.6
265.19650	5.6
291.21005	5.2
331.24106	5.6
349.25250	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.5
55.01867	14.5
55.05514	29.7
57.03442	19.2
65.03929	6.0
67.05509	74.1
67.05867	3.6
69.03423	3.6
69.07071	46.2
69.56610	18.7
70.41982	2.2
71.04989	5.3
77.78311	2.2
79.05056	4.3
79.05494	61.7
81.03426	12.1
81.07061	87.9
83.04967	7.0
83.08609	10.1
85.06535	2.8
91.05483	74.8
93.07044	67.2
93.18913	2.5
95.01356	11.5
95.04982	14.4
95.08041	3.9
95.08613	54.4
97.06528	14.4
97.10169	6.3
103.05463	3.7
104.06242	3.2
105.07033	96.9
107.04964	19.2
107.08592	31.6
109.06541	12.0
109.10159	17.8
117.07001	25.8
119.08590	63.4
121.06516	9.1
121.10126	21.3
123.08067	7.2
123.11689	4.1
125.09560	3.6
129.07010	4.4
131.08553	36.5
133.06497	2.4
133.10139	58.2
135.08008	5.3
135.11690	14.3
137.09636	6.9
137.87811	2.2
143.08549	5.4
145.06425	5.6
145.10123	33.9
147.08038	2.6
147.11714	27.1
149.09622	12.3
149.13249	8.1
151.11176	3.0
155.08542	4.6
157.10085	6.4
159.07983	3.1
159.11671	20.0
161.13252	8.0
163.11188	8.2
165.06863	2.3
169.10143	3.6
171.11662	3.4
173.13255	9.1
177.12781	4.0
179.14313	15.8
183.11717	4.8
185.13217	4.3
187.11183	7.0
187.14870	2.8
197.13251	5.3
229.19481	6.7
233.15396	2.6
239.17966	4.5
247.20566	7.7
251.12605	19.5
257.18967	13.0
275.20068	71.1
280.66388	2.3
349.19800	100.0
349.23795	41.1
349.31015	4.4
350.20258	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.6
55.01872	16.1
55.05262	3.7
55.05511	52.1
57.03434	16.7
65.03930	4.0
67.05508	61.2
67.53195	2.2
69.03421	3.7
69.07068	25.7
71.04980	6.7
71.31470	3.5
79.05496	100.0
81.03439	9.8
81.07059	55.2
83.04981	19.5
83.08620	9.8
85.06538	3.3
91.05482	48.8
93.07046	60.5
95.01315	6.3
95.04966	16.7
95.08603	29.3
96.04652	1.7
97.06530	11.9
97.10166	11.9
98.21220	2.8
105.07032	50.2
107.04960	29.4
107.08596	56.8
109.06527	7.8
109.10157	24.8
111.08067	4.5
117.07017	19.9
119.06077	2.0
119.08577	32.2
121.06535	4.3
121.10136	21.0
123.08078	6.3
123.11722	4.8
124.78014	2.0
125.09632	12.6
129.06996	4.8
131.08562	21.0
133.10136	30.2
135.08075	11.4
135.11685	11.2
137.09644	3.5
137.76357	2.1
139.07570	2.0
139.55528	1.7
142.92795	2.0
143.08612	3.2
145.06479	2.4
145.10133	19.4
147.07971	2.7
147.11678	18.9
149.09621	43.5
149.13219	3.0
153.09088	2.0
159.07941	2.1
159.11678	9.2
161.02853	2.1
161.09679	2.1
161.13243	5.4
163.11188	5.7
163.14874	3.3
169.10098	3.1
169.12259	3.3
171.11620	2.2
173.11708	4.6
173.13248	5.2
177.12737	3.8
179.14308	3.8
181.85211	2.1
187.11162	4.4
189.11197	5.4
189.12711	2.4
191.14369	2.9
196.22237	1.8
197.13165	3.7
209.15379	3.7
229.19479	4.8
239.18106	1.9
247.20476	3.7
257.19101	8.9
275.20084	45.6
349.12839	4.6
349.23761	33.7
361.17743	1.9
363.57968	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	15.6
53.88429	2.6
55.01876	17.0
55.05510	27.7
56.85902	2.4
57.03438	21.8
61.01144	6.2
63.02687	8.1
65.03911	3.7
67.05171	4.4
67.05503	69.8
69.03384	3.2
69.07071	53.0
70.14511	10.0
71.04981	4.5
72.12084	2.4
73.60641	2.4
79.05059	3.8
79.05492	59.1
81.03425	26.8
81.07060	85.7
82.07414	2.6
83.04967	9.4
83.08598	7.1
85.06532	6.7
91.02180	100.0
91.05481	71.2
93.07046	61.1
95.01321	21.8
95.04980	20.7
95.08606	54.6
97.06547	20.1
97.10144	4.9
98.20885	2.8
98.21391	3.7
99.04419	3.5
101.04221	7.8
104.40299	2.4
105.07034	78.5
106.99873	14.9
107.04958	35.1
107.08590	32.7
109.06498	10.9
109.10142	13.9
110.36177	2.5
111.08075	3.3
115.05399	3.4
117.06999	19.4
119.08590	44.8
121.06494	9.2
121.10123	10.5
123.04436	5.0
123.08082	11.9
123.08844	2.5
123.11728	3.0
125.09660	4.0
129.07028	5.0
131.08575	36.7
133.10132	52.8
135.08054	3.4
135.11673	10.6
137.09583	3.4
139.49481	2.2
141.07045	4.3
143.08574	6.3
145.06410	5.6
145.10147	24.2
147.11696	24.4
149.09584	8.4
149.13229	9.9
155.08440	2.4
157.10114	4.0
159.08002	3.0
159.11679	20.9
161.13220	7.0
163.11176	4.5
169.10103	5.7
171.11700	3.9
173.13298	7.0
177.12775	8.7
179.06406	3.8
179.14273	22.3
183.11613	3.2
185.13310	5.0
187.11186	7.4
187.14749	2.7
190.05478	3.8
195.13855	2.9
207.05814	7.3
211.09042	31.4
219.17451	24.1
221.07402	7.8
221.76653	3.2
222.08183	5.9
223.03612	7.3
227.06735	5.4
238.05762	4.4
253.09993	11.7
257.18991	9.8
269.07797	17.7
273.10797	6.0
275.17230	4.3
275.20065	45.5
285.05515	8.0
301.10367	5.8
317.07974	7.6
347.37006	2.9
349.10553	3.5
349.23703	33.9
357.33218	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01873	3.7
55.05515	13.7
57.03439	37.0
57.07076	2.1
63.36723	1.4
65.03945	2.1
67.05508	29.1
67.49412	1.5
69.07065	5.9
70.50691	5.3
72.21098	1.3
79.05494	26.7
81.03458	1.7
81.07061	29.0
83.04983	1.6
83.08624	4.9
85.06554	9.2
91.05487	40.6
93.07050	33.9
95.04977	5.1
95.08613	21.2
95.40383	1.4
97.06538	3.9
97.10175	2.3
98.21181	2.3
99.04459	5.4
103.05521	1.9
103.66120	1.6
105.07030	26.6
107.04956	4.3
107.08594	17.1
109.06517	11.6
109.10169	8.2
111.08102	2.4
112.60043	1.4
117.07027	13.9
119.08584	21.8
119.66024	1.4
121.06517	3.6
121.10175	10.6
123.08080	5.5
128.34961	1.5
129.07014	3.5
131.08580	17.9
133.10149	14.5
135.08080	4.9
135.11732	7.9
137.09601	2.2
143.08624	3.5
145.10161	12.1
147.11699	9.0
149.09601	2.7
149.13321	1.6
153.12732	4.6
157.10211	2.2
159.11693	8.3
161.13257	4.4
163.62262	1.4
169.10152	1.4
173.13283	5.3
175.14877	2.2
180.40073	1.5
185.13245	4.3
201.16418	7.3
203.14336	2.5
219.17448	100.0
220.17763	2.0
255.31317	1.3
265.68674	1.5
275.20071	18.6
276.54843	1.8
349.23846	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01861	4.3
55.05513	14.3
56.96554	3.3
57.03442	11.9
57.07068	1.9
67.05508	28.4
69.03412	2.2
69.07072	16.8
69.78362	7.3
70.30819	1.2
71.05003	1.9
79.05053	1.9
79.05498	23.8
81.07059	31.6
83.04978	8.7
83.08610	4.6
85.06573	1.2
91.05482	22.6
93.07050	32.9
93.13589	1.3
94.98477	1.2
95.04971	8.3
95.08601	21.2
97.06514	5.0
97.10201	2.9
98.21093	3.5
105.06374	2.5
105.07037	26.6
107.04970	13.1
107.08600	19.2
107.21597	1.1
109.06516	8.4
109.10175	10.2
111.08115	2.0
113.76981	1.3
117.07016	9.2
119.08590	14.1
121.06527	12.6
121.10169	8.7
123.08085	6.1
123.11676	2.2
129.07025	2.9
131.08575	18.7
133.06496	3.6
133.10130	18.0
135.08093	6.5
135.11699	7.0
137.09581	1.7
143.08543	2.9
145.06488	2.5
145.10146	12.9
147.08067	3.7
147.11656	13.0
149.09595	7.3
149.13245	3.8
151.11168	5.5
155.08524	2.2
157.10152	4.1
159.08051	2.7
159.11710	11.1
161.09592	3.9
161.13297	3.0
163.11174	6.4
169.10098	1.4
171.11748	4.6
173.09671	3.1
173.13257	5.8
175.11223	3.6
177.12753	2.5
183.11697	3.3
187.11221	1.8
187.14906	1.5
191.14383	1.9
193.12154	1.2
197.13269	1.4
201.12787	3.1
207.13826	2.3
215.17955	2.2
219.13837	4.8
229.19504	5.1
239.17918	4.6
247.20555	4.6
257.19019	13.7
267.09167	1.6
269.10745	2.1
275.20074	100.0
276.20285	3.4
285.10104	2.4
293.21109	8.9
349.16882	3.1
349.23749	25.3
367.17999	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41843	1.1
53.03935	2.5
55.01874	7.7
55.05517	15.0
55.67243	1.0
56.59084	1.2
56.96571	2.8
57.03442	13.7
57.07051	1.9
65.03938	1.5
65.76157	1.2
67.05506	31.3
67.82615	0.9
69.03424	2.0
69.06714	1.6
69.07072	20.5
70.32034	4.1
71.04999	1.9
71.97981	1.0
78.17521	1.1
79.05494	24.1
81.03421	1.8
81.07059	35.3
83.04974	9.1
83.08617	5.9
85.06567	1.7
91.05484	26.1
92.31211	1.1
93.07052	31.3
95.04974	11.0
95.08614	22.0
97.06525	3.8
97.10162	3.0
98.20978	1.7
103.05442	1.4
105.07031	29.5
107.04948	9.8
107.08594	21.1
109.06542	10.9
109.10164	10.5
111.08064	2.2
115.05451	1.3
117.07011	10.3
119.08591	19.3
121.06522	13.0
121.10149	9.3
123.08048	7.1
123.11688	3.8
125.09640	1.4
128.06230	1.6
129.07007	3.7
131.08574	18.5
133.06482	3.3
133.10136	18.6
135.08047	5.5
135.11693	4.7
137.09622	3.4
140.72943	1.2
141.06981	2.4
143.08534	2.1
145.06470	3.5
145.10132	13.6
146.10448	1.1
147.08125	5.1
147.11705	11.4
149.09647	8.0
149.13254	3.7
149.20604	1.1
151.11174	5.6
155.08490	2.0
157.10149	3.4
159.08084	2.6
159.11699	8.4
161.09619	5.3
161.13258	4.2
163.11145	7.8
163.14793	1.8
169.10133	1.6
171.11681	3.8
173.09660	3.8
173.13275	8.1
175.11186	3.3
177.12788	1.8
179.14212	1.4
183.11754	4.0
187.11224	2.0
187.14769	1.7
189.12711	1.8
191.14378	3.8
197.13283	2.2
201.12819	3.1
205.15904	1.0
207.13832	4.0
213.07994	1.5
215.14351	1.5
215.17929	2.0
217.07681	1.1
219.13853	3.8
219.17404	1.3
229.07402	2.1
229.19559	3.8
231.17384	1.8
233.19212	1.0
239.17955	4.4
247.08414	1.6
247.20580	3.7
257.19037	16.6
261.10089	1.1
275.20071	100.0
276.20444	2.0
293.21063	6.6
349.16858	3.5
349.23743	34.8
367.18060	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.6
55.01858	10.4
55.05513	45.0
57.03443	19.5
57.07072	4.1
57.17535	2.5
59.49467	2.2
65.03934	5.4
67.05505	91.3
69.03415	3.6
69.07071	23.2
69.98655	8.7
71.04987	7.2
73.06563	2.8
79.05495	100.0
81.03406	5.3
81.06581	4.3
81.07059	76.8
83.04980	13.5
83.08617	12.9
85.06525	5.5
91.05482	77.5
93.07047	75.2
95.04962	17.2
95.08048	3.2
95.08608	42.1
97.06518	9.9
97.10162	8.9
98.21027	6.7
103.05459	3.9
105.07029	74.8
107.04962	18.9
107.08600	51.6
109.06513	9.5
109.10152	32.2
111.08070	6.0
117.07021	26.9
119.07784	4.3
119.08584	62.9
121.06526	8.6
121.10143	24.5
123.08092	6.7
123.11707	6.4
125.09616	9.4
129.06984	5.9
131.08577	35.6
133.10130	50.9
135.08037	7.7
135.11700	13.1
136.27698	2.3
137.09627	8.9
141.06985	5.3
143.08539	5.6
144.96553	2.9
145.10097	24.7
147.11681	32.4
149.09633	26.3
149.13255	4.5
153.09070	2.8
155.08553	6.9
157.10141	6.4
159.11674	19.4
161.09654	4.2
161.13232	10.9
163.11241	5.7
169.10187	4.9
169.12212	2.6
171.11734	8.4
173.13292	17.0
183.11702	3.3
187.11179	3.5
187.14827	5.0
189.11310	3.9
197.13280	5.4
211.06354	2.6
223.11272	3.1
229.19504	7.3
239.17987	4.4
247.20612	8.7
257.19067	15.9
275.20078	80.7
318.31540	2.5
349.19717	4.4
349.23740	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47993	0.5
55.05502	0.9
56.28920	0.5
57.03439	1.0
58.06588	0.6
63.73783	0.6
65.54771	0.6
67.05495	2.2
69.07069	1.0
69.50204	1.3
69.50616	3.5
71.04986	0.8
79.05475	1.7
81.07056	3.0
83.08600	0.7
91.05482	2.1
93.07054	2.3
94.89766	0.5
95.08621	0.7
96.08118	1.9
105.07028	2.1
107.08595	1.1
109.06524	0.7
112.07622	0.9
117.06995	0.8
119.08559	1.8
121.10175	0.9
131.08562	0.7
133.10176	1.0
137.05748	2.0
143.08702	0.6
145.10127	0.9
147.11699	1.1
155.01212	0.7
157.10138	0.7
159.11719	1.2
179.63164	0.6
221.11456	0.6
235.13094	1.8
259.44858	0.7
261.09982	0.7
275.20007	2.1
349.19858	100.0
350.19998	2.0
350.23590	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98182	0.4
55.05492	1.1
56.96537	0.5
57.03434	1.0
67.05502	2.4
69.03443	0.4
69.07047	1.4
70.88390	1.1
72.76341	0.4
72.95722	0.4
74.62249	0.5
79.05505	2.5
81.07061	2.9
83.05004	0.5
85.06535	0.5
85.94216	0.4
89.06430	0.4
91.05479	3.1
93.07063	2.5
95.04957	0.6
95.08602	1.6
99.34737	0.4
100.43020	0.4
105.06997	2.8
107.04955	0.5
107.08594	1.8
109.06495	0.7
109.10175	0.4
117.06984	0.8
119.08609	2.6
120.08104	0.4
121.10147	1.0
127.88915	0.4
129.07066	0.5
131.08572	1.8
133.10129	1.6
137.05745	4.2
145.10103	2.2
147.11693	0.8
157.10147	0.9
159.11693	1.4
161.13252	0.7
171.11642	0.6
173.13271	1.0
185.13263	0.7
202.09094	0.6
203.14258	0.7
219.17464	0.8
221.11497	1.4
235.13110	1.6
257.18988	0.9
271.13992	0.5
275.20096	1.5
331.18799	0.5
349.19864	100.0
349.23428	4.8
350.20187	1.7
350.23724	0.5
360.23312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09619	0.7
53.03941	1.4
55.01865	1.4
55.05513	5.6
56.52578	0.7
57.03446	3.8
67.05510	12.0
69.07067	6.5
70.38864	1.5
71.04985	0.7
72.82187	0.7
79.05495	13.9
81.03420	1.8
81.07060	15.2
83.04974	1.2
83.08589	1.8
91.05487	15.0
93.07052	10.9
95.01346	0.9
95.04967	3.5
95.08604	9.7
97.06515	2.4
97.10174	1.5
98.21422	0.9
104.82922	0.7
105.07037	16.3
107.04964	2.5
107.08598	8.4
109.06529	2.5
109.10148	3.1
111.08081	0.9
117.07033	5.3
119.08591	12.5
121.06477	2.3
121.10173	3.5
123.08061	1.9
125.09644	0.8
128.06329	0.8
129.07053	1.6
131.08572	5.4
133.10121	11.7
135.08054	1.5
135.11714	2.4
137.09569	0.7
143.08623	1.3
145.10129	11.3
147.11674	5.4
149.09633	2.0
149.13249	1.0
155.08546	0.9
157.10158	1.7
159.11641	3.5
161.13223	1.6
163.11169	1.0
171.11679	1.6
173.13283	2.2
177.12741	1.7
179.14314	2.5
183.11736	1.4
187.14839	0.8
192.58768	0.7
197.13232	1.0
199.14958	1.0
221.11748	0.7
239.17953	1.3
247.20773	1.2
251.12556	17.8
257.19006	5.2
275.20062	13.7
349.19888	100.0
349.23749	11.5
349.31409	1.5
350.20169	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
50.96432	0.9
51.15188	0.9
55.01873	1.3
55.05495	2.0
62.76165	1.1
67.05489	4.2
69.07071	1.5
71.58552	1.5
79.05486	4.8
81.07042	4.1
84.08141	1.1
90.12570	1.0
91.05470	6.3
93.07034	3.2
95.04945	1.5
95.08606	4.0
96.55730	1.3
97.06505	1.7
105.07030	5.3
107.08580	3.3
109.06515	1.0
109.10112	1.1
117.07013	2.0
119.08585	4.4
121.10177	1.7
130.06509	1.5
131.08560	3.9
133.10112	4.6
145.10129	3.0
147.07935	1.0
147.11697	2.3
159.11671	2.6
161.09703	1.2
189.07944	1.0
202.09050	1.9
229.30922	1.2
239.11284	1.6
255.94781	1.6
257.19064	3.2
275.20093	2.3
331.18790	2.5
349.19846	100.0
349.23431	5.5
350.20044	2.1
350.23703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.0
55.05524	15.5
56.96564	18.1
57.03439	17.3
65.03923	3.7
67.05502	39.1
69.03435	4.2
69.07071	23.6
70.25881	5.1
70.26256	9.1
71.04981	4.3
71.95254	2.7
72.09429	2.9
79.05493	39.3
81.03409	3.7
81.07056	49.0
83.04981	8.8
83.08607	4.0
91.05478	30.2
93.07042	38.1
95.04973	14.8
95.08610	30.4
97.06545	3.8
97.10168	4.0
98.20947	5.6
98.21497	3.1
105.07027	36.6
107.04946	12.1
107.08603	27.8
108.22421	2.6
109.06510	12.6
109.10153	11.8
111.08066	5.2
115.05462	2.9
117.07011	14.2
119.08591	21.5
121.06544	13.7
121.10127	12.1
123.07143	2.5
123.08077	10.4
123.11703	3.9
129.06996	4.6
131.08572	22.1
133.06509	6.3
133.10120	26.0
135.08087	6.2
135.11710	8.1
137.13052	3.0
143.08565	4.4
145.10121	16.8
147.08012	6.1
147.11688	15.2
149.09634	7.8
149.13274	4.4
151.11191	8.1
157.10117	4.2
159.08064	3.9
159.11681	12.8
161.09567	6.5
161.13272	6.2
163.11166	6.6
171.11745	4.0
173.09492	3.5
173.13258	7.8
175.11137	4.7
177.12750	4.6
187.11087	4.8
195.11684	3.0
201.12764	5.2
203.61490	3.2
207.13748	3.6
213.16577	3.0
219.13834	4.3
225.08005	2.7
229.19547	3.7
239.17949	4.3
247.20561	5.0
255.09071	4.9
257.19086	18.8
267.09015	8.7
269.10608	10.1
275.20078	100.0
285.10138	15.2
287.11685	4.2
293.21051	8.4
331.15652	5.4
349.13226	3.3
349.16647	13.6
349.20401	3.9
349.23679	32.8
367.17776	6.9
372.18396	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01871	3.8
55.05511	8.2
56.05023	6.2
56.96552	3.2
57.03434	3.5
58.99576	5.8
61.01137	3.4
67.04233	2.7
67.05506	11.2
68.05019	3.7
69.07059	5.7
71.05004	1.4
71.57749	2.1
72.64413	1.2
74.00663	2.9
74.83108	1.3
76.02203	2.2
79.05498	34.3
80.05010	5.6
81.05811	2.4
81.06570	2.3
81.07059	42.2
82.06580	7.1
85.01138	38.7
86.00658	35.8
86.91035	1.3
87.02657	1.5
88.02207	3.1
91.05482	17.8
93.05788	1.4
93.07050	13.3
94.06577	12.0
95.04966	3.7
95.07337	3.2
95.08604	11.0
96.08145	13.3
97.01090	4.5
97.06480	1.9
97.08911	4.4
98.09706	14.6
100.02202	3.3
103.05453	3.5
105.07038	15.5
107.04961	1.8
107.07340	1.9
107.08591	4.1
108.08134	6.8
109.06516	5.8
109.08888	4.7
109.10131	1.8
110.09673	9.0
111.02654	2.7
113.04236	43.2
117.07010	3.4
119.08575	8.4
120.08116	100.0
121.10118	4.5
122.09674	14.7
123.08096	1.8
123.10467	2.8
129.07039	2.0
131.08563	4.3
133.10155	6.4
135.07971	1.7
139.05774	6.3
143.36569	1.5
145.10106	4.3
147.11694	4.1
149.09607	1.8
156.08438	90.6
159.11708	3.9
160.03957	25.4
166.08650	20.0
173.13278	1.8
174.07619	1.8
174.09157	36.8
175.08725	2.9
200.14372	2.1
202.08641	12.3
206.06416	9.3
220.09669	24.1
233.07430	3.1
233.89651	1.3
246.14928	14.7
250.05344	2.5
252.06866	6.4
257.18958	2.1
267.07974	4.4
275.20023	9.3
279.08002	2.8
303.15128	4.8
331.15927	3.6
332.13116	4.1
349.11850	4.3
349.15860	49.8
349.23743	6.0
350.16165	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07486	1.0
53.03940	1.7
55.01867	2.5
55.05509	5.6
56.05036	6.0
56.96572	1.2
57.03436	12.3
58.99584	15.3
60.05642	1.2
61.78011	1.0
70.02962	1.4
70.06591	10.5
70.49335	3.5
71.05031	1.3
72.08168	5.5
76.02223	11.2
77.71494	1.2
79.05483	12.5
81.07056	94.2
84.04503	79.5
84.05025	2.5
84.08129	9.7
85.01126	4.5
85.08473	1.9
86.00650	7.6
86.09695	8.5
86.99054	14.7
87.02692	52.0
88.03989	3.7
95.04968	2.0
95.08622	1.6
98.09695	2.5
98.20818	1.4
99.08102	12.5
101.01772	1.3
102.05547	1.8
103.34293	1.1
105.00094	11.9
105.07058	2.0
108.04436	1.1
109.44772	1.1
110.07170	2.6
113.04230	4.6
114.92007	1.2
116.07094	1.3
117.03408	1.4
120.08132	2.3
122.02729	64.5
123.04426	1.3
129.10265	2.2
130.05003	15.0
130.06540	1.7
130.08659	2.5
131.09006	1.0
132.01149	19.0
136.06201	2.4
137.06516	3.2
142.03255	5.8
147.04440	1.9
150.12621	1.1
156.08434	3.7
157.06834	2.6
158.06226	1.2
159.04759	16.6
163.03883	2.2
173.12923	1.7
174.05505	23.3
174.09477	4.3
175.05856	21.8
175.07263	2.1
175.08627	1.1
175.11934	3.6
175.14435	5.0
176.12253	1.3
176.14737	4.6
177.80621	1.1
187.07684	1.4
188.03842	4.6
196.24837	1.0
202.08965	100.0
203.07373	31.2
203.09259	1.7
210.11279	2.6
220.08026	1.5
220.10057	20.7
232.97398	2.6
234.04379	3.8
234.96919	1.3
250.15480	1.2
250.98523	5.7
251.00992	0.9
251.01935	1.0
251.07040	2.2
251.97981	1.2
253.12804	1.5
272.94791	1.1
281.13229	1.1
286.11029	4.4
289.11749	1.3
331.09436	1.9
331.13019	6.9
332.11542	4.5
341.42493	1.3
349.08954	3.1
349.14087	12.4
349.17111	4.2
349.20398	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	349.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86003	0.7
53.03934	1.6
55.00728	0.7
55.01859	2.5
55.05512	1.5
65.03911	0.9
67.05511	4.8
69.07062	1.5
70.06603	4.1
71.58372	1.0
79.05506	3.5
80.05009	5.7
81.07038	3.2
83.04961	1.2
84.04484	1.4
84.08141	1.1
86.09673	0.8
88.03988	0.9
91.05487	4.4
93.07030	3.0
94.06561	7.4
95.04961	2.3
95.08579	3.4
96.04440	1.0
97.06525	1.5
98.06066	7.6
100.20605	0.8
101.81400	0.7
105.07028	2.3
107.08573	2.3
108.04478	97.5
108.08124	1.1
110.06017	1.7
112.07580	2.2
113.29401	0.7
115.05412	1.1
117.07024	1.5
119.08566	2.5
119.77335	0.8
120.08112	0.8
121.06515	1.1
121.10162	0.7
122.06029	21.1
126.05501	4.0
129.06987	1.0
130.06546	1.0
131.08517	2.5
133.10130	2.0
134.06012	1.8
136.07553	4.8
138.05505	0.7
140.07068	15.4
144.08052	1.2
144.87192	0.8
145.10101	2.5
146.06009	1.3
147.11681	1.2
150.05499	13.2
152.07031	1.2
153.04770	1.0
155.07359	1.1
155.08501	1.1
156.08051	1.7
158.09599	0.9
159.08078	0.8
159.11690	1.9
160.07545	1.3
162.05443	0.8
164.07072	9.2
168.06563	100.0
170.09665	4.0
171.10428	1.2
172.07576	2.6
172.11272	0.8
173.13254	0.9
174.09122	1.0
176.07083	1.8
182.08131	75.2
183.06720	0.8
184.07625	4.3
185.08351	1.9
186.09201	2.3
188.07057	1.0
190.07091	3.1
191.03328	1.9
197.08284	1.3
198.09138	10.2
199.05338	1.1
199.10072	1.0
200.10739	2.7
201.10242	2.6
202.08664	1.8
206.08141	1.2
208.05917	1.3
212.07027	2.7
212.10712	3.3
214.08669	1.4
214.12207	1.0
215.08179	3.4
215.11815	3.0
216.07005	0.8
216.08595	1.5
216.10570	3.9
218.08176	1.2
220.09717	1.5
224.09062	0.8
226.08630	9.1
227.09346	1.3
228.10361	1.9
229.09729	3.2
230.08101	1.0
230.11943	1.8
232.09673	2.2
234.07643	2.2
240.10168	6.2
243.11290	8.8
244.09688	14.1
244.12024	1.0
245.10457	2.7
246.11450	1.7
247.10831	1.7
253.09886	1.4
254.08051	4.1
257.19116	1.1
258.11313	8.2
261.12421	2.6
267.11200	0.9
268.09717	6.3
269.09845	0.8
270.11215	2.0
271.10748	12.1
272.09079	5.5
276.11218	2.4
285.12506	1.9
286.10736	12.6
287.10672	0.9
287.13934	1.0
288.12158	1.5
289.11859	20.7
296.09277	2.2
303.13327	2.5
304.11789	17.4
313.11838	4.3
314.10269	2.3
321.14456	1.4
331.12958	6.8
332.11194	3.0
334.09103	1.1
349.13953	66.4
349.23660	3.3
350.14224	1.4
350.29013	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	8.4
58.99859	2.2
61.02925	1.9
63.58070	1.5
70.06587	2.2
70.99859	1.9
71.04241	3.5
77.00941	2.2
82.99874	5.2
83.12626	1.5
84.08136	4.0
84.95992	2.0
94.93002	22.9
98.97588	5.2
101.00261	3.3
101.00885	51.4
102.04060	5.7
103.00600	1.4
105.00375	2.3
110.97535	2.4
113.00872	15.5
113.01703	2.9
115.02422	4.8
116.98602	2.1
118.03525	7.3
119.01920	100.0
120.02011	2.3
121.01646	2.7
126.98775	2.1
127.02457	2.7
128.98576	3.3
130.03412	1.7
131.01906	79.0
133.03476	18.9
136.04585	3.8
137.02963	8.9
139.91426	1.9
141.05063	11.1
142.03520	4.2
143.01900	19.3
143.02879	4.2
143.06683	5.5
144.99847	7.4
145.03522	12.2
146.99643	4.5
149.01210	1.8
149.02925	11.6
151.04472	2.0
155.01901	19.0
157.03522	4.5
159.06163	12.1
160.04533	2.4
161.01306	1.8
161.01593	2.3
161.02966	21.2
161.07698	8.5
163.03925	2.6
166.24042	1.8
167.51526	1.5
168.99817	40.9
172.99347	5.3
173.02971	34.0
174.99124	4.0
175.02690	2.1
177.02481	3.8
180.99806	12.6
184.04619	3.7
185.02965	3.8
186.99269	2.5
187.00871	44.1
187.04176	2.1
187.05667	33.9
189.00745	3.0
189.02348	2.9
190.98686	2.2
191.00343	1.8
191.03967	7.7
193.00179	5.3
193.03699	1.9
196.04578	7.3
196.99329	19.1
199.00900	20.6
201.02484	7.5
203.02266	2.6
203.04021	6.9
205.00119	3.5
205.01920	2.7
205.06714	14.7
206.88629	5.6
211.05658	2.5
213.02446	5.9
215.00365	90.9
217.01814	4.6
219.03500	9.9
221.03210	4.0
221.05072	5.3
223.00978	2.4
227.00468	6.6
228.03899	5.6
229.00299	1.8
229.01945	44.9
229.06706	58.3
230.05209	8.3
231.03523	11.3
233.01454	4.8
238.01950	3.4
239.00304	2.6
239.06087	3.9
241.01965	8.4
241.06705	31.6
242.05017	4.4
245.01425	4.3
245.95393	2.1
247.03009	97.3
247.91330	13.4
247.95184	3.0
248.89618	29.4
259.03030	27.4
259.07458	2.7
261.04672	3.6
262.94867	4.4
270.04651	4.5
272.98105	3.5
277.04010	5.7
289.04089	23.7
307.05270	3.4
317.03516	10.7
323.75330	1.6
348.99100	6.4
349.05594	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	348.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66252	7.3
53.12968	7.6
55.05506	39.2
57.03436	8.9
57.07069	9.4
57.17780	8.5
60.39155	7.7
67.05507	100.0
69.07064	31.6
70.19620	33.9
71.08640	14.1
79.05510	38.1
81.07055	93.2
83.08631	31.2
84.04495	9.4
85.06533	10.2
91.05473	38.6
93.07053	43.6
95.04952	9.6
95.08602	30.9
97.06542	15.3
97.10159	21.9
98.21304	14.2
99.08126	11.8
105.07024	23.9
107.08585	35.6
109.06532	9.3
109.10175	50.3
117.07031	14.5
119.08582	17.7
121.10111	19.8
125.09600	16.5
130.06564	8.6
131.08562	22.6
132.24721	8.7
133.10115	26.7
135.11632	16.9
136.06195	34.2
149.13287	27.9
150.78615	8.0
152.07004	14.7
155.10680	14.9
159.11743	12.7
173.11751	61.4
173.13066	13.5
183.11845	10.4
189.11250	15.8
195.13843	31.6
213.14804	26.0
224.16443	13.1
277.21756	38.1
295.22745	19.8
348.25305	66.4
349.19861	52.1
369.19882	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	348.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74437	0.3
60.05647	4.5
63.88458	0.4
64.00817	0.3
69.32294	2.0
69.32722	1.1
70.06594	9.2
72.08163	1.6
81.07009	0.4
84.04512	0.5
84.08147	10.4
86.09723	0.4
95.04970	1.2
98.21181	1.5
110.03677	0.7
112.08750	2.0
114.10291	1.1
114.12822	0.4
115.08670	0.4
116.07098	3.0
119.04942	2.0
122.02744	0.4
122.06014	0.7
123.04429	1.5
130.04982	0.4
130.08643	7.0
130.09752	1.9
130.12306	1.8
131.08974	0.3
135.03169	0.6
136.06163	0.4
141.05460	0.5
146.02364	0.4
146.05980	2.0
148.07591	0.5
150.05507	0.4
157.10860	1.2
158.09244	4.8
158.11897	0.4
159.03165	2.5
160.07576	0.4
174.05515	100.0
175.05838	1.1
175.11967	13.9
175.14407	20.5
194.92195	0.3
201.12320	0.5
202.08958	0.4
288.13614	0.4
314.68878	0.4
330.15552	1.1
348.16528	14.8
348.19543	10.0
349.16882	0.5
349.19705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05655	5.4
67.05505	0.4
69.46540	2.8
69.99792	0.4
70.06593	10.9
72.08150	1.5
77.21799	0.3
81.07029	0.5
84.04480	0.5
84.08143	10.5
86.09688	0.7
95.04949	1.2
97.07592	0.4
110.03653	0.7
112.08718	1.7
114.10278	1.2
114.12840	0.5
116.07101	4.2
119.04951	2.0
123.04431	1.6
130.08635	6.5
130.09740	2.2
130.12257	1.7
135.03140	0.7
135.42091	0.4
135.99210	0.4
136.06178	2.0
141.05455	0.8
144.13791	0.4
146.05983	2.4
150.05533	0.7
157.10835	1.6
158.09242	4.4
159.03174	3.2
174.05513	100.0
175.05797	1.0
175.11960	14.2
175.14404	18.8
185.04160	0.6
187.03688	1.4
188.05374	0.3
199.08922	0.3
201.09846	0.4
201.12335	0.4
288.13452	0.6
293.20969	0.4
330.15482	0.9
331.14017	0.8
333.01129	0.4
348.16562	16.4
348.19595	9.1
349.08746	0.5
367.60873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28935	0.2
53.03945	0.2
55.01877	1.0
55.05504	0.2
56.05019	0.2
57.03434	1.5
58.99572	0.2
60.25252	0.1
61.02931	0.3
67.05498	0.2
68.22469	0.2
68.99784	1.2
69.03430	0.7
70.06589	1.2
71.01363	0.3
71.15849	0.3
72.08171	0.6
73.02937	0.4
74.23257	0.1
77.03949	0.2
79.05502	0.3
81.03418	1.8
84.04522	0.2
84.08145	0.5
84.52176	0.2
85.02905	9.9
86.09704	0.4
87.00829	3.9
90.49427	0.1
91.05452	0.3
93.06978	0.2
95.01321	0.2
95.04953	0.3
97.02889	1.3
99.04436	0.4
100.05776	0.2
100.11310	0.2
103.03961	0.4
103.05444	0.9
105.01886	0.7
105.07069	0.2
107.08617	0.2
109.02879	0.5
109.10158	0.4
111.00829	0.3
111.04465	0.1
113.02368	0.3
115.05468	0.5
117.05748	1.2
117.07034	0.2
118.06546	5.0
120.08111	0.4
127.03909	0.7
128.06216	0.4
129.01817	0.2
129.07024	1.9
129.10229	0.2
130.06526	100.0
131.04927	0.4
131.06812	1.3
131.08421	0.2
132.08083	1.7
136.06161	0.5
142.06506	0.7
143.07304	0.6
143.08549	0.6
144.04425	2.1
144.08080	4.3
145.04956	0.2
145.06459	0.2
145.10115	0.3
146.06006	1.4
146.10435	0.2
146.64014	0.1
153.06949	0.5
154.06509	1.8
155.07300	1.4
156.08098	4.5
157.05214	0.2
158.06015	14.9
159.02901	0.5
159.06760	0.4
160.07574	4.4
160.08835	0.3
167.07358	0.7
168.08087	3.1
169.08812	0.3
170.06023	2.0
170.09656	3.8
171.02844	1.4
172.07574	5.3
173.13220	0.2
174.05525	1.3
174.13539	0.2
175.11946	0.3
175.14435	0.4
180.08095	4.2
182.06027	0.4
183.06770	1.5
184.07568	4.3
186.09187	0.3
188.07030	0.9
189.03944	2.6
196.07552	3.2
197.08270	0.5
198.09135	7.6
200.06999	0.7
202.08591	0.3
202.13013	0.3
208.07581	2.5
210.09250	0.6
214.08566	0.5
226.08626	14.2
227.08961	0.4
231.08994	0.4
244.09698	5.3
262.10736	0.9
268.09534	0.3
277.19003	0.4
284.10898	0.3
286.10712	1.8
286.19870	0.3
304.11792	1.0
312.08109	0.3
330.09555	6.5
348.10635	11.0
348.16989	0.8
349.10992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0703
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
51.02938	0.3
51.97205	0.2
55.05498	0.3
60.04531	0.4
64.53614	0.3
69.03419	0.8
70.06596	2.6
71.57535	0.3
72.08157	2.1
81.07056	0.6
82.06580	0.4
84.04498	0.8
84.08141	2.0
85.02890	0.4
86.09715	1.3
88.03987	0.4
89.03906	0.5
91.05501	0.6
97.02892	7.5
102.05488	0.3
103.14550	0.3
110.07175	0.5
112.08715	0.2
115.08746	0.3
116.07093	0.5
117.03378	0.5
118.06522	0.3
119.03567	0.6
119.04966	0.7
120.08102	1.5
122.02679	0.3
128.52350	0.2
129.10240	0.8
130.05013	0.5
130.08611	0.4
134.06056	0.3
135.04422	1.3
136.06187	100.0
137.04555	0.8
137.06589	0.5
144.04532	0.4
144.08150	0.4
145.02832	0.8
147.04449	0.7
151.07533	1.6
163.03911	3.9
163.05203	0.4
174.05498	2.0
175.11954	0.5
175.14442	0.4
176.97989	0.3
184.02888	0.2
202.09062	0.3
208.05954	0.4
232.03191	0.6
234.96918	0.9
252.97966	1.3
253.02846	0.3
284.09320	0.3
288.98001	0.3
330.10123	0.5
348.07104	4.5
348.16116	0.5
349.07666	0.3
366.28174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55731	1.5
53.03950	3.0
55.01865	3.6
55.05514	10.7
57.03466	1.8
57.07075	4.8
59.04997	5.8
65.03922	2.6
67.05505	18.5
68.95615	1.8
69.03431	7.9
69.07082	4.6
71.04980	1.8
71.42786	3.0
79.05492	19.4
81.03411	2.2
81.07063	34.1
81.31913	2.0
83.04979	7.5
83.08605	2.7
85.06528	4.3
91.05493	24.6
93.07053	52.9
95.04972	21.3
95.08611	15.4
97.06538	6.3
101.06018	2.4
103.05457	2.0
105.07037	28.2
107.08597	41.6
109.06545	18.5
109.10163	18.2
114.37565	2.0
117.07056	5.6
119.08582	14.2
121.06515	18.4
121.10156	24.1
123.08077	40.4
125.05996	18.1
128.06287	2.3
128.25862	1.9
129.07054	3.0
131.08572	24.1
133.06505	6.6
133.10106	11.2
135.08104	5.2
136.06197	2.0
137.06027	2.1
137.09628	8.7
139.07568	5.5
142.07826	2.3
143.08594	8.1
145.10153	8.2
147.08060	4.1
147.11728	4.3
149.09619	36.8
151.07552	100.0
157.10146	6.0
159.08078	3.8
159.11775	6.4
161.09653	6.8
161.13428	2.0
163.11194	3.3
165.09134	7.7
167.07060	8.1
167.10704	26.5
169.10194	3.4
171.11694	5.4
173.09673	4.2
173.13293	6.2
174.10419	1.9
175.11240	3.5
177.09163	9.9
177.12775	2.6
179.10677	3.0
181.08698	2.3
183.11693	2.2
187.14923	2.3
189.12761	34.8
191.14339	3.8
192.11478	3.3
195.11754	2.6
195.13876	2.2
207.13808	54.7
209.13216	2.4
213.12616	3.0
214.02122	1.8
215.14447	4.2
217.12128	2.7
219.13806	3.7
221.15446	4.0
233.15392	5.9
237.14783	15.2
243.13884	2.5
249.45573	2.1
255.13744	4.3
273.14893	8.0
291.15839	4.8
311.20157	3.1
329.17352	3.0
329.20981	14.4
347.13583	2.0
347.18271	82.3
347.22256	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	347.2214
Annotation	[4S-[4alpha(E),4aalpha,5alpha,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester  3-methyl-2-pentenoic acid
Peak:m/z	Relative Intensity
52.50857	3.3
53.03913	3.5
55.05492	11.3
57.07077	5.0
59.04991	5.0
65.03929	5.2
67.05492	15.8
67.65341	3.3
69.03434	8.7
69.07063	6.6
69.89971	15.1
71.40378	3.4
79.05500	19.7
81.07053	27.6
83.04969	3.8
83.08706	3.9
91.05480	25.5
91.13342	3.7
93.07050	56.7
95.04963	12.9
95.08577	15.2
95.09090	3.6
97.06538	7.8
98.21120	11.1
101.06029	4.4
105.07032	32.1
107.08598	44.7
109.06552	17.1
109.10178	24.6
115.40450	3.9
117.07005	6.2
119.08565	15.2
121.06493	16.2
121.10138	27.7
123.08057	42.0
125.05986	19.5
129.07001	5.5
131.08569	25.4
133.06514	6.0
133.10089	9.8
135.08038	4.6
135.57646	3.7
137.06050	3.9
137.09641	5.9
139.07509	7.4
143.08559	3.9
145.10104	8.7
147.11673	3.7
149.09630	36.5
151.07544	100.0
159.08185	4.6
159.11719	8.2
161.09602	4.3
165.09081	4.2
167.10686	23.0
168.08116	5.2
173.09569	5.9
173.13246	4.8
175.11098	4.6
177.09024	7.0
183.35349	4.0
186.09056	4.1
189.12773	34.5
207.13800	50.0
215.14149	5.2
221.15338	5.4
233.15419	6.8
237.14818	14.6
255.13814	5.0
273.14746	10.1
291.15933	4.2
329.21164	16.9
347.22131	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	347.1313
Annotation	Nordercitin
Peak:m/z	Relative Intensity
56.96555	2.1
60.04506	3.1
61.02936	1.5
68.25623	0.7
69.03416	1.5
70.06559	0.9
71.57308	1.0
72.08129	0.8
74.06079	0.9
83.06130	1.1
84.04491	1.9
84.08152	5.2
85.02894	1.8
86.09695	3.7
87.05602	0.8
97.02888	1.1
98.21069	0.7
98.97572	1.0
101.00871	1.0
101.07090	0.9
104.95522	0.7
105.06602	1.4
119.01902	3.0
126.05521	1.1
129.10246	3.2
131.01884	1.6
132.10178	1.5
133.03488	2.9
134.03654	0.8
135.04411	0.8
143.01868	1.1
147.11269	1.4
161.02985	1.4
161.06636	0.7
163.03903	1.3
167.06781	3.3
173.02936	2.2
173.12752	1.4
177.02409	1.3
185.04347	4.0
185.06319	1.1
185.07857	15.8
189.02647	0.9
191.04039	1.1
201.02438	2.0
203.00397	1.6
203.05376	6.1
216.09814	1.9
219.03519	2.7
221.02953	1.9
221.04901	1.3
226.02217	0.9
227.00403	1.3
227.04024	1.2
228.05667	1.1
245.01556	1.2
245.05130	1.0
245.95381	1.8
257.75647	0.7
285.13150	5.7
301.12573	27.0
319.12582	0.7
347.04425	2.3
347.13123	100.0
347.22269	2.0
348.13589	1.7
365.05063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55090	3.2
55.01877	5.0
56.05026	7.8
56.96567	31.3
58.06583	3.8
58.99857	8.4
60.04521	22.0
63.50630	3.4
69.07069	5.5
70.06583	14.4
70.57615	4.0
70.75632	7.3
70.76009	6.6
70.98125	5.9
70.99850	9.7
72.08156	34.0
74.02428	3.4
74.06079	19.5
77.00912	6.8
82.06570	7.7
83.06104	11.1
84.04511	40.3
84.08147	95.4
85.02879	4.6
86.09710	69.1
87.05592	10.9
89.00909	6.0
91.02472	23.4
98.21219	6.2
98.65041	3.3
98.97588	10.0
101.00877	40.6
101.07141	15.5
103.02422	4.8
105.04035	5.7
106.05049	12.1
109.03509	8.6
113.00886	6.0
115.02444	28.0
116.98638	5.2
117.04003	4.0
119.01920	76.2
122.86455	3.8
128.98573	6.0
129.06615	7.3
129.10233	67.5
130.04999	22.6
130.08650	13.2
131.01915	53.0
131.82594	3.6
133.03482	45.5
133.06096	10.4
135.04356	6.9
136.06186	47.7
137.02945	6.6
142.12206	4.4
143.01906	15.3
143.11803	9.1
144.99834	6.9
145.03525	20.4
145.52490	3.6
146.99570	10.6
147.01360	7.8
147.04326	4.7
147.05139	4.4
147.07681	25.5
147.11282	25.6
149.02959	94.4
151.04575	5.9
151.50186	3.9
155.01903	10.5
158.99625	3.7
159.01398	15.6
159.05063	4.0
161.02965	21.4
163.02707	4.5
163.03986	16.8
165.00749	5.8
165.06078	8.7
167.04004	18.1
168.99861	5.1
171.01430	7.9
171.11400	5.3
172.97633	4.7
173.02975	32.4
173.12875	38.7
174.99324	6.3
175.00818	26.8
177.00819	6.4
177.02457	39.8
181.05661	4.1
184.10750	4.1
185.02997	6.8
187.00917	10.1
187.04529	5.5
187.14427	35.6
189.02440	15.9
190.98607	8.9
191.04044	22.5
193.00140	3.9
195.03484	8.7
196.14516	9.0
197.03078	4.1
197.12862	12.8
199.00824	5.8
201.00752	7.9
201.02458	48.5
201.12292	4.1
203.00369	9.7
203.02225	4.4
203.04042	17.9
207.03528	7.7
208.99733	5.9
209.05037	4.2
213.02492	8.8
214.15469	7.1
215.03993	11.4
215.13954	12.7
216.13620	4.1
217.01962	20.5
219.03502	100.0
221.02965	27.1
221.05078	8.4
224.13983	3.9
227.00359	28.0
227.04163	3.7
228.05687	4.0
229.01941	14.2
231.03523	15.6
233.05171	5.2
235.02922	5.3
237.04546	8.4
239.03954	4.5
241.01979	10.8
242.05099	4.2
243.03522	6.9
245.01518	39.5
247.02934	8.9
248.95903	6.4
249.04555	11.6
254.99980	18.7
257.01520	14.7
259.02924	25.6
261.04620	4.7
271.03168	7.3
273.00891	25.5
275.02466	12.9
277.04144	13.3
287.02567	42.3
287.05695	5.2
289.04004	11.4
299.02499	9.3
305.03622	52.6
315.01968	9.8
317.03552	8.9
319.04996	5.8
329.18259	14.1
333.02969	11.8
347.04407	39.7
347.23016	44.1
365.05542	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	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	15.2
58.64446	8.8
59.05759	7.8
67.05515	37.1
69.07053	11.3
70.06607	7.8
70.64840	24.5
79.05499	18.9
79.99924	7.6
81.07059	39.2
83.04974	10.8
83.08601	18.1
91.05456	16.1
93.07037	27.6
95.08588	24.2
98.21289	9.6
105.07037	12.5
107.08589	25.4
109.10159	16.9
109.26002	7.7
119.08593	10.7
121.10114	13.4
125.09675	7.4
130.06525	100.0
131.07033	8.0
131.08615	7.4
133.10144	14.3
135.11649	9.5
149.09583	8.2
159.11662	14.5
163.11237	8.4
173.11726	24.4
189.11145	13.3
195.13840	32.3
213.14731	10.1
275.20123	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2333
Annotation	Thr Leu Leu
Peak:m/z	Relative Intensity
55.01847	0.6
55.05497	1.4
56.04782	0.7
56.05035	9.0
57.76416	0.5
58.06605	4.3
68.05013	0.8
69.07063	1.2
70.06593	4.0
71.57961	1.0
72.08131	2.4
74.06079	24.0
76.76373	0.6
81.07048	3.8
82.06565	1.1
84.04514	7.0
84.08134	2.6
85.02913	1.2
86.06052	2.6
86.09705	57.5
87.05574	1.1
87.09996	0.7
91.05484	1.2
96.04497	0.8
98.09673	2.4
100.07613	1.1
100.11239	2.3
101.07140	21.9
120.08089	1.6
124.11224	1.8
126.09175	2.2
126.12759	1.9
128.74071	0.6
129.10258	0.7
130.06502	0.8
132.10178	3.1
132.11769	0.6
133.10088	0.7
142.12271	9.2
143.11790	6.5
169.13341	1.5
187.14418	100.0
207.10133	0.7
211.13335	1.7
215.13914	28.1
238.18001	1.2
245.18597	4.1
256.19061	1.9
258.27118	0.6
269.03464	0.6
269.09283	0.7
302.16107	1.3
302.19769	0.8
327.55389	0.6
329.15176	0.7
346.12817	1.2
346.17776	0.7
346.22171	1.0
347.12357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2133
Annotation	Asn Val Leu
Peak:m/z	Relative Intensity
51.19221	0.8
55.05511	8.3
57.07045	1.0
60.04533	1.0
65.58688	0.9
69.07066	1.8
70.02947	3.6
70.06584	3.3
70.89509	2.5
70.93020	1.0
72.08157	100.0
73.97724	0.9
82.06571	5.0
84.04493	2.8
84.08134	4.6
85.04029	1.7
86.09711	31.6
87.05593	14.3
88.03995	2.8
88.86175	1.0
94.06541	1.3
96.08135	5.2
98.02417	11.6
98.20914	1.5
99.09215	6.9
104.07124	1.4
110.02392	4.7
113.10764	1.0
115.05070	1.7
118.08640	1.1
124.07616	7.2
127.08685	26.9
129.10219	1.1
130.08604	1.0
131.67514	0.8
132.10193	6.8
138.09106	1.4
141.10234	31.8
148.04500	1.0
152.07040	5.2
155.11800	3.9
157.09726	2.4
166.08652	1.9
169.09731	19.6
170.06038	1.4
173.85727	1.0
183.11314	3.7
186.12386	93.5
187.95900	1.1
200.13939	13.8
214.11880	28.2
228.13495	3.4
231.17050	3.1
241.15511	2.2
265.15359	1.6
269.14850	1.9
286.17609	1.4
311.16098	6.4
313.12042	1.1
328.18591	2.0
345.15149	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	17.9
57.03430	25.5
62.94137	6.5
67.05504	56.6
69.07072	78.4
70.11038	9.6
70.11385	25.5
71.04997	45.3
79.05490	57.4
81.03409	38.6
81.07069	74.0
83.04980	7.5
83.08615	12.8
89.13290	7.7
89.50343	6.3
91.05469	44.3
93.07034	52.5
95.04965	47.2
95.08614	32.2
97.06538	100.0
99.08094	10.6
105.07052	36.1
105.07658	7.5
107.04931	9.0
107.07958	6.3
107.08593	32.7
109.06526	21.5
109.10165	8.1
111.08018	8.4
113.06084	13.6
115.01471	6.0
115.07587	39.4
117.07047	11.4
117.86708	6.0
119.08607	21.5
121.06512	11.2
121.10191	17.3
123.08087	10.7
129.07030	13.0
131.08583	23.1
133.10123	13.2
135.08038	18.0
135.11685	16.5
145.10120	17.6
149.09589	8.9
149.13264	10.9
159.11703	14.6
161.09735	8.2
171.11670	11.2
177.12674	8.8
187.11208	7.1
195.13852	10.7
197.65483	7.6
223.13245	13.2
244.15369	6.9
273.18448	15.8
291.19720	8.0
312.49963	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	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.7
55.01854	4.9
55.05503	9.9
57.03423	8.3
57.07069	3.2
57.76134	3.0
67.05499	27.8
69.06780	2.7
69.07072	34.6
70.88343	4.7
70.88657	2.9
71.04984	10.0
72.95806	3.0
77.90796	2.6
79.05494	27.2
79.49943	2.6
81.03413	8.7
81.07053	20.5
83.04974	7.3
83.08611	3.5
84.08142	5.0
85.06511	4.1
91.05486	20.2
91.27295	2.5
93.07051	15.5
95.04974	21.0
95.08598	13.2
97.06533	100.0
99.08097	4.5
105.07027	13.9
107.04977	3.6
107.08594	9.1
109.06525	9.1
109.10110	4.8
113.06016	10.8
115.07571	21.2
117.07022	9.9
119.08577	8.0
121.06472	3.8
121.10152	5.2
123.11722	3.3
128.06221	3.7
129.10187	3.1
131.08575	7.5
133.06529	3.2
133.10114	7.4
135.08049	3.4
135.11729	5.1
141.05457	8.2
143.08577	3.1
145.10144	8.7
149.09569	2.6
149.13232	3.5
159.11685	7.4
161.09576	2.9
173.43669	2.9
177.12727	6.6
189.59917	3.0
195.13847	5.0
211.13222	3.1
219.13744	3.2
223.13361	5.5
273.18460	3.7
291.19531	3.4
344.15128	5.1
344.26035	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	9.6
55.05511	42.4
57.07080	11.2
67.05506	82.1
69.07067	31.6
69.82661	7.5
70.06576	26.6
71.57816	11.1
71.79029	8.7
71.79441	7.4
76.39607	8.2
79.05499	44.1
81.03435	7.9
81.07052	64.0
83.04976	21.4
83.08611	28.4
85.02906	11.3
91.05479	56.0
93.07052	63.4
95.04952	29.7
95.08583	56.2
97.06545	9.7
97.10176	14.6
98.21289	11.4
105.07035	24.2
107.04915	11.0
107.08590	39.3
109.06509	9.5
109.10129	24.0
111.08075	29.1
117.06982	19.6
119.08581	28.8
121.10130	32.3
123.08071	11.1
131.08609	14.0
133.10101	26.9
135.08014	10.7
135.11707	13.5
139.84578	8.3
141.07025	8.0
145.10146	9.8
147.11697	10.6
149.09627	17.6
151.11162	17.6
167.10651	11.0
179.10736	13.9
221.52994	9.1
221.80956	13.4
240.23383	9.7
241.23615	16.5
246.68620	10.2
291.19577	10.0
344.25735	17.8
344.31750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2221
Annotation	Polysignine
Peak:m/z	Relative Intensity
53.03902	0.5
55.05467	1.0
56.05005	0.5
67.05458	1.5
67.23219	0.4
68.04994	0.5
69.07021	1.4
69.30331	0.3
70.06548	1.2
70.33957	0.4
70.50183	1.3
71.04967	0.4
72.08129	0.9
72.62576	0.4
79.05491	4.8
80.04982	0.9
81.03368	0.7
81.07063	1.9
83.04955	0.6
84.04472	0.7
84.08110	1.0
86.09708	1.9
88.03967	0.5
91.05479	4.4
93.07040	4.0
94.06554	0.7
95.04960	0.7
95.08613	2.0
97.06533	0.6
97.10137	0.5
100.07526	0.5
103.05474	9.8
105.07025	3.3
105.36035	0.3
107.04295	0.4
107.04956	5.5
107.08605	2.3
108.08121	15.8
109.06530	0.5
109.08849	1.3
109.10105	1.2
110.09624	1.3
115.05389	0.5
117.06993	0.8
119.08546	0.9
120.08107	3.8
121.06472	0.8
121.10122	0.6
122.08877	0.6
122.09665	9.9
123.04372	0.7
123.10396	1.7
130.04959	0.6
130.06522	4.5
131.04932	6.1
131.06961	0.4
131.08510	0.5
132.08054	2.0
133.90936	0.4
134.09587	0.8
135.08046	0.6
135.11705	1.9
136.06102	0.6
136.11217	4.0
137.05983	2.9
137.09621	0.5
137.13214	0.5
138.06290	0.6
143.05014	0.4
145.10063	0.5
148.11182	0.6
149.05960	1.3
150.12782	23.2
151.07516	0.7
151.13571	6.5
151.14722	0.5
152.14366	4.2
153.05463	0.9
153.12740	0.7
154.05743	0.5
157.06326	0.6
161.13261	0.5
162.12846	0.4
163.07491	1.0
166.08598	0.9
166.12331	0.6
169.21841	0.5
170.09573	0.7
172.03967	0.4
174.06693	0.4
175.07472	0.4
180.10184	4.6
185.84924	0.5
189.09090	0.6
190.04968	0.6
191.05382	0.7
199.11232	0.4
200.14323	1.7
209.14125	0.7
223.03177	0.4
226.15860	0.6
228.10133	1.3
230.11777	1.0
235.65222	0.4
243.10291	0.8
246.11133	0.9
246.14920	1.8
252.15887	0.6
254.19022	3.3
256.13324	0.6
258.05228	0.5
258.14893	0.5
266.08734	0.6
270.14856	2.3
272.19928	0.5
286.04849	0.6
294.08325	0.7
298.11230	0.5
298.17987	0.7
299.09378	0.6
300.19577	100.0
301.20071	3.5
302.21066	3.3
308.09973	1.4
313.07272	0.5
326.11008	0.7
326.19730	0.5
344.22208	66.8
345.09741	6.0
345.22537	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.222
Annotation	Polysignine
Peak:m/z	Relative Intensity
51.24951	0.2
51.35338	0.2
55.05512	1.1
56.05020	0.3
57.03416	0.3
57.07037	0.3
62.30405	0.2
65.68937	0.2
67.05475	1.0
68.04994	0.3
69.07041	0.8
70.00138	1.0
70.06566	1.0
71.04960	0.3
79.05492	5.1
80.04993	0.9
81.07066	2.3
82.06546	0.4
83.08594	0.4
84.08094	0.4
91.04977	0.3
91.05479	4.7
93.05758	0.5
93.07044	4.7
94.06520	0.7
95.04929	0.4
95.07319	0.5
95.08614	1.8
96.08120	0.6
97.06506	0.3
98.20861	0.4
98.21385	0.3
99.88729	0.3
103.05463	10.9
105.07036	3.4
106.06470	0.3
107.04291	0.4
107.04955	6.1
107.08588	2.0
108.08118	16.1
109.06507	0.4
109.08848	0.7
109.10105	0.7
110.09686	1.7
117.06996	0.4
118.06453	0.3
119.08547	0.8
120.08102	3.4
121.06470	0.3
121.08826	0.3
121.10119	0.4
122.09665	10.9
123.10458	2.2
123.11709	0.3
130.06526	4.5
131.04007	0.4
131.04918	5.1
132.08092	2.1
133.10098	1.0
134.09605	0.9
135.11697	2.6
136.10240	0.4
136.11206	4.8
137.13205	0.7
139.43100	0.2
145.10127	0.5
146.09651	0.3
148.07544	0.4
148.11177	0.7
149.05930	0.5
150.12779	25.2
151.13570	7.3
152.07031	0.3
152.10732	0.4
152.14342	5.0
153.12712	0.4
153.15070	0.5
153.81964	0.3
158.09595	0.3
161.13234	0.6
163.13423	0.3
164.14330	0.7
166.05800	0.3
166.07242	0.2
166.08624	0.6
166.12288	0.5
168.07977	0.3
170.09576	0.6
172.11154	0.4
178.08551	0.3
179.14287	0.7
180.10202	5.3
180.83894	0.2
186.12804	0.4
195.16122	0.5
196.16946	0.4
198.12704	0.3
200.14319	1.7
202.08731	0.3
209.14136	0.8
212.14246	0.5
216.10272	0.3
218.11768	2.2
226.15872	0.8
228.10228	2.0
230.11783	0.6
232.13402	0.5
242.11700	0.4
244.13226	0.5
246.11221	0.6
246.14847	1.7
254.19061	3.7
256.13309	0.9
256.20578	0.2
258.14917	0.5
270.14911	2.2
272.16556	0.5
272.20096	0.4
298.18051	0.9
300.19568	100.0
301.19925	2.8
302.21143	4.1
344.22195	61.2
345.22562	2.0
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
52.97935	2.1
53.03934	2.8
55.01867	4.0
55.05513	19.1
57.03429	7.6
57.07060	6.0
58.12715	2.7
59.04990	5.2
59.74146	2.3
67.05510	23.7
69.03426	10.2
69.07060	7.9
70.83797	4.5
70.84144	5.7
71.04998	15.9
74.52274	2.3
79.05496	21.6
81.03459	3.0
81.07059	26.6
83.04971	7.9
83.08627	4.2
85.06535	4.1
91.05486	32.2
93.07052	65.8
95.04969	51.8
95.08613	79.8
97.06522	17.1
103.05453	4.2
105.07037	86.1
107.08606	56.0
109.06535	17.6
109.10143	3.4
115.05434	6.4
117.07018	27.2
119.08604	27.2
121.06520	15.3
121.10139	19.6
122.07310	2.3
123.08070	30.3
125.06017	3.6
129.07016	5.7
130.07779	15.1
131.08562	11.3
133.06523	3.9
133.10155	15.4
135.08049	22.4
135.11679	18.3
137.09628	5.7
142.07767	3.8
143.08589	11.5
145.09036	4.7
145.10133	80.9
147.08064	9.4
149.09628	6.7
151.07541	52.8
153.09129	5.1
155.08563	3.9
157.10143	8.2
159.08061	6.1
159.11693	7.6
161.09602	8.3
161.13365	3.3
163.11197	63.4
165.09119	16.9
169.10085	2.9
171.08023	3.3
171.11658	6.3
173.09615	3.7
173.13158	3.2
175.11154	6.6
177.09087	8.3
179.07050	6.4
182.10825	2.6
183.11818	2.3
187.11189	5.2
189.12672	12.3
191.10727	3.6
191.14290	4.3
195.11664	4.4
197.13420	3.9
203.14302	11.8
207.10060	3.3
207.11868	3.4
207.13826	7.1
209.13318	3.0
209.15358	5.4
213.12808	3.0
217.12106	3.6
221.15382	37.6
223.14886	3.2
225.12698	2.8
233.15401	4.7
243.13737	4.5
263.16422	8.1
269.15430	2.9
274.19217	3.6
286.19299	5.6
325.21759	11.8
343.22681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.71566	2.7
53.03961	5.4
55.01871	7.3
55.05510	20.4
57.03431	13.0
57.07069	10.1
59.05008	4.0
65.03946	3.7
67.05505	31.8
69.03426	11.4
69.07072	12.8
71.04993	20.5
71.18121	3.0
71.18474	4.1
79.05499	28.7
81.07066	30.2
83.04970	6.2
83.08604	4.2
85.06550	6.4
91.05486	41.0
93.07053	83.8
95.04977	62.9
95.08616	97.7
97.06542	16.7
99.66345	2.4
103.05509	5.2
105.07039	91.5
107.04939	3.5
107.08603	66.9
109.06522	17.9
109.10184	7.8
115.05491	6.8
116.06250	3.0
117.07030	39.0
119.08581	36.8
121.06510	16.9
121.10165	25.5
122.07266	3.3
123.08088	29.6
125.05989	3.6
128.06250	4.3
129.06979	8.1
130.07802	18.8
131.08601	9.0
133.06502	6.0
133.10146	21.3
135.08067	28.0
135.11707	22.0
137.09639	6.5
142.07851	3.1
143.08548	15.8
145.10133	84.8
147.08096	14.3
147.11697	4.7
149.09650	6.5
151.07561	46.7
153.09146	5.2
155.08563	3.1
156.09383	4.7
157.10162	9.9
159.08028	5.4
159.11667	6.7
161.09639	9.7
161.13237	4.3
163.11198	70.8
165.09155	19.7
171.11687	7.1
173.09645	5.1
173.13283	6.7
175.11192	7.9
177.09077	7.8
179.07060	7.3
181.10095	5.4
183.11697	5.4
185.13289	3.6
187.11108	3.4
189.12723	11.7
191.10565	3.1
191.14413	3.0
197.13316	5.8
201.12737	3.8
203.14326	9.4
207.11916	3.5
207.13826	8.0
213.12877	3.6
215.14249	2.8
221.15350	36.3
225.12715	4.7
233.15398	3.0
240.23174	3.4
241.15919	5.1
241.28545	2.6
261.38046	2.6
263.16437	10.1
269.15363	3.8
286.19263	5.8
287.16681	3.4
287.19952	3.6
311.89249	2.6
325.21729	12.3
335.26483	2.8
343.22693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03924	4.1
55.01857	7.3
55.05520	14.9
57.03442	12.7
57.07064	7.8
59.04985	6.4
66.38770	2.6
67.05502	30.1
68.69097	2.2
69.03448	12.6
69.07053	5.6
71.04993	23.3
75.43240	2.4
79.05500	28.3
81.03415	5.1
81.07061	35.4
83.04978	8.4
83.08651	2.6
85.06544	5.9
91.05492	41.2
93.07049	86.4
95.04976	68.0
95.08611	100.0
97.06538	16.3
103.05472	3.2
105.07034	87.5
107.04960	4.2
107.08596	59.8
108.05717	3.0
109.06529	16.2
109.10179	6.0
115.05462	8.2
117.07040	33.7
119.08582	36.5
121.06504	17.2
121.10143	16.4
123.08071	29.1
125.05978	3.8
128.06242	4.7
129.07001	6.8
130.07780	18.7
131.08540	11.2
133.06496	4.9
133.10161	18.4
135.08058	28.6
135.11667	18.2
137.06003	2.8
137.09607	5.3
141.06955	2.6
142.07762	4.7
143.08591	16.2
144.09378	3.8
145.06435	3.0
145.10136	91.8
147.08037	18.3
147.11670	3.6
149.09587	6.3
151.07553	51.1
153.09122	3.8
156.09280	4.3
157.10139	8.0
159.08029	5.6
159.11710	10.5
161.09677	12.6
161.13261	3.8
162.10365	2.9
163.07567	3.5
163.11189	65.1
165.09122	18.4
167.08578	2.5
169.10144	5.2
171.11694	6.8
173.09593	7.7
173.13268	5.7
175.11194	5.5
177.09163	6.7
179.07072	4.0
183.11662	3.7
185.13170	4.3
187.11188	6.8
187.14832	3.3
189.12729	10.6
191.10735	3.3
195.11646	3.1
197.13348	4.0
201.12805	4.3
203.14413	11.0
207.10132	2.8
207.13853	7.9
209.13298	2.6
209.15349	3.1
215.14323	4.8
217.12253	2.6
221.15370	32.6
223.14870	3.8
225.12796	3.7
233.15369	5.0
241.15990	2.9
247.16907	2.7
263.16284	11.7
269.15341	4.5
274.19113	2.3
279.20956	2.9
286.19336	6.1
287.16446	3.7
287.19836	2.7
325.21701	12.0
343.22684	92.8
343.26901	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03944	5.8
53.87895	3.2
55.01870	6.5
55.05511	16.3
57.03428	6.3
57.07073	7.8
59.05004	5.0
67.05505	26.5
69.03429	11.7
69.07071	3.9
71.02866	10.5
71.04988	14.6
79.05489	30.6
81.03450	4.3
81.07064	37.2
83.04951	4.5
91.05482	32.0
93.07053	68.6
95.04972	61.1
95.08609	82.0
95.44910	3.9
97.06533	16.5
105.07028	86.0
107.04984	6.5
107.08604	60.0
109.06567	19.7
109.10149	6.8
115.05450	8.0
117.07040	28.6
119.08597	30.6
121.06513	16.1
121.10155	24.3
123.08053	26.4
129.06993	4.9
130.07806	16.0
131.08577	14.1
133.06512	7.1
133.10098	17.8
135.08086	31.3
135.11710	17.1
137.09596	8.0
142.07759	5.0
143.08553	9.7
145.06514	4.6
145.10132	99.5
147.08047	15.1
149.09651	5.0
151.07570	50.5
157.10149	10.0
159.08052	6.5
159.11720	10.2
161.09653	5.7
161.13351	4.2
163.11194	74.9
165.09108	15.6
169.10194	7.4
171.11659	5.2
173.13364	3.9
175.11177	5.2
177.09123	8.5
181.12177	4.5
182.10979	4.7
189.12766	12.1
197.11671	4.0
203.14359	9.4
207.13928	6.2
209.13231	5.1
209.15440	4.2
213.12589	4.3
215.14577	4.2
221.15359	35.9
223.15019	5.3
225.12790	4.4
227.11053	4.9
233.15376	6.5
247.53145	4.3
287.16504	5.2
325.21521	12.9
343.22696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	5.5
55.05502	7.8
65.88509	2.9
67.05489	12.5
69.03423	4.7
69.07050	6.8
70.06608	4.2
71.04980	9.0
71.57941	5.0
79.05486	14.9
81.07071	17.5
83.04965	8.0
91.05470	8.0
91.49935	2.7
93.07053	39.8
95.04961	6.9
95.08623	7.3
97.06540	3.1
97.18868	3.0
99.04453	29.0
105.07045	42.5
107.08593	33.1
108.88085	3.4
109.06511	5.3
109.94982	2.8
115.05439	6.7
117.07027	7.5
119.08562	16.7
121.06513	20.8
121.10131	49.1
123.37524	3.2
125.69936	3.6
128.83339	3.1
130.07777	5.5
130.18825	2.9
131.08566	5.2
135.08032	10.7
135.11720	14.7
137.05992	13.7
145.06458	4.4
145.10120	43.4
147.11679	6.7
149.06029	5.4
149.09592	11.7
163.11198	97.3
173.09625	8.2
181.12230	32.2
191.08934	5.6
191.10670	100.0
201.05524	6.0
205.06439	9.6
209.11757	17.2
222.06735	7.9
227.12759	32.5
233.05881	4.9
237.09027	8.8
249.05432	4.5
250.06287	3.8
256.63031	3.0
265.08664	11.2
266.09177	3.0
293.08200	14.2
307.09665	10.5
325.10785	19.4
338.03452	3.5
343.11722	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	343.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01870	4.8
55.05504	4.0
65.03934	4.1
67.05490	6.2
69.03415	2.9
69.07052	4.7
70.06568	5.3
70.18282	2.5
70.18633	5.5
71.04984	2.3
79.05486	6.8
81.03413	2.1
81.07059	9.6
84.04502	3.1
84.08170	3.0
85.02905	3.3
85.06549	1.8
86.09677	2.7
89.03907	1.8
91.05470	13.0
93.03387	1.6
93.07036	5.7
94.04205	3.7
95.04969	4.6
95.08595	5.8
97.06503	2.8
98.21180	4.1
100.11254	2.0
103.05463	9.6
105.07014	6.4
105.13721	1.8
107.04951	2.7
107.08583	5.7
109.06519	2.4
109.10149	2.8
111.04423	1.6
115.05454	13.8
116.07019	1.8
117.07034	3.4
119.04920	8.2
119.08582	2.2
121.02870	2.2
121.06489	4.8
121.10099	2.0
121.34634	1.7
122.03647	8.1
122.70352	1.5
123.04411	2.4
125.06002	9.8
125.09604	2.2
129.06979	2.1
129.10229	1.9
130.04111	1.8
130.04994	4.6
130.06505	1.7
131.04950	7.8
133.06523	3.8
133.10068	2.4
135.04395	4.1
135.08040	2.4
137.05977	67.1
138.05484	2.0
143.04958	7.9
145.06454	7.9
145.10101	3.2
147.04413	5.5
148.03928	3.5
149.06015	12.3
149.13245	2.3
150.06779	4.7
151.03957	7.9
151.05011	1.8
151.07555	4.1
153.05467	64.2
153.06799	3.0
153.12651	1.9
158.03659	3.1
159.04381	5.2
160.05177	8.4
161.05986	2.2
163.07544	17.5
163.11189	4.6
165.07031	6.2
166.07700	2.7
171.08067	2.0
173.06013	10.8
175.03909	5.0
175.07532	9.7
176.06224	3.8
177.05528	3.1
177.06989	12.5
177.09210	2.2
178.07764	2.5
179.07089	2.7
179.08492	2.3
181.06499	5.9
186.03099	12.0
187.03911	4.6
187.07466	2.3
189.06995	4.2
189.09071	1.7
190.07883	1.8
191.08516	2.1
193.06572	4.4
194.07262	18.4
195.08102	2.7
198.14784	1.9
201.05432	37.3
203.06984	3.2
203.08751	2.2
203.10677	4.7
204.05753	4.4
205.04578	2.7
205.06506	45.6
205.08374	1.9
206.07286	3.1
207.08101	2.9
209.05846	2.4
211.07565	4.6
213.08974	1.8
219.06282	2.9
219.08139	3.5
221.06035	14.0
221.09517	2.4
222.06752	33.4
223.07481	5.0
227.06985	4.8
232.05270	2.0
233.05954	40.9
234.06775	11.6
235.07492	3.0
237.09102	35.6
239.07039	7.9
240.07797	2.3
241.08705	3.2
247.07571	6.0
248.08362	2.5
249.05492	13.3
250.06247	38.2
251.06940	9.9
251.14810	3.7
253.04915	1.8
253.08534	3.6
261.05466	6.3
263.07111	3.1
264.07816	12.5
265.08597	72.4
265.11435	3.7
266.09262	7.0
267.06546	11.1
275.06799	1.8
277.04901	5.9
278.05707	13.1
279.06821	3.3
279.10095	7.2
281.08121	3.5
282.08908	9.2
283.09662	6.1
292.07300	25.3
293.08063	65.8
294.08847	4.3
295.05896	4.3
295.09116	1.8
297.11163	22.4
299.13028	4.1
307.09653	78.8
308.10022	2.5
309.07678	2.0
310.08307	10.2
311.12711	4.0
325.10690	100.0
325.18417	4.9
343.08176	2.7
343.11902	5.3
343.15396	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1178
Annotation	UWM6
Peak:m/z	Relative Intensity
55.05504	5.9
60.68602	3.3
65.03936	3.2
67.05485	14.7
69.85095	17.8
70.06583	5.8
71.04976	5.0
74.43192	3.4
79.05481	5.9
81.07053	11.3
83.04963	4.0
84.08118	4.7
85.02895	6.0
86.09720	9.0
91.05483	17.8
93.07052	22.3
94.04214	4.1
95.04965	6.4
95.08583	8.9
97.06544	4.4
97.10144	3.7
98.21212	10.2
99.04438	9.1
103.05457	8.0
105.07041	23.4
107.04977	4.0
107.08598	18.1
109.06529	6.6
109.10136	6.3
115.05479	17.9
117.07034	9.9
119.05001	5.2
119.08582	11.3
121.06490	15.2
121.10141	24.4
122.03667	6.8
133.06483	4.1
135.08075	6.0
135.11708	8.2
137.05983	67.9
143.04932	9.2
145.06483	14.2
145.10135	22.1
147.04375	4.0
147.11627	3.6
149.05959	6.9
150.06754	8.1
151.03944	7.1
153.06958	5.1
158.03671	6.4
159.04430	5.6
160.05241	9.6
161.06044	5.9
163.11165	39.2
165.07043	4.7
166.07794	4.1
173.06023	13.8
174.18636	3.6
175.03903	6.5
175.07561	14.9
176.06279	5.4
177.05449	9.3
177.07011	17.6
178.07849	9.0
181.10699	3.4
181.12259	12.9
186.03128	13.2
188.06833	17.1
191.07161	5.7
191.10654	38.1
194.07246	23.4
195.07938	4.8
196.09471	15.9
201.05437	38.2
204.05731	4.6
205.06491	48.6
206.07253	5.7
207.08038	7.8
209.11685	4.6
211.07532	7.9
219.06407	5.3
221.05957	17.8
222.06744	36.7
223.07506	5.6
227.12662	9.9
233.05975	50.8
234.06651	12.8
235.07468	4.0
237.09134	48.2
239.07068	8.0
247.07512	8.0
249.05544	17.7
250.06204	48.4
251.07048	8.2
261.05405	5.5
262.06274	5.2
264.07825	14.2
265.08557	77.3
266.09427	10.5
267.06522	10.9
267.95883	3.5
277.04935	5.6
278.05667	27.4
279.10098	8.2
282.08832	7.1
283.09753	10.0
292.07343	30.1
293.08063	80.8
294.08582	5.5
295.06119	5.5
297.11145	23.8
307.09677	86.5
310.08337	7.0
325.10703	100.0
343.12158	9.7
343.16241	68.6
343.20248	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	343.1176
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01864	3.9
63.63659	1.7
65.03964	2.1
67.05485	2.3
69.33910	17.6
70.06586	5.2
72.08186	1.6
79.05495	3.9
80.05058	2.5
81.07085	2.9
84.04514	2.7
84.08108	1.7
85.02865	1.9
86.09718	4.4
91.05470	12.4
93.03395	1.7
93.07025	2.5
94.04192	4.3
95.04930	3.2
103.05444	5.2
105.07042	2.7
107.04967	2.9
111.04436	2.9
115.05458	14.9
116.01678	3.3
117.07056	2.6
119.04953	6.3
120.08070	1.7
121.02871	2.3
121.06532	2.5
122.03651	5.4
123.04446	2.8
124.35138	2.1
130.06525	2.0
131.04895	4.6
135.04405	4.6
137.05983	66.2
139.19560	1.7
142.03214	8.3
143.04904	9.3
144.01158	2.3
145.06488	8.5
147.04408	4.5
149.05957	8.1
150.06767	5.4
151.03908	6.8
153.05495	2.6
155.06064	1.8
158.03629	6.3
159.04417	7.3
160.05209	9.3
161.05925	3.1
162.02177	6.2
165.07011	5.2
166.07729	3.4
170.02658	2.5
173.06000	14.4
175.03906	4.0
175.07530	13.5
176.06241	5.5
177.05557	4.1
177.06940	14.0
178.07703	3.0
179.08560	2.1
181.06400	3.5
186.03136	15.0
187.03880	5.3
189.05457	2.4
189.06992	4.3
191.06964	2.6
193.06456	3.4
194.07301	19.0
195.08087	2.7
201.05463	54.6
203.06985	3.8
204.05627	3.9
205.06502	46.7
205.08383	4.1
206.07231	2.4
207.06387	2.3
207.08151	4.0
211.07504	4.1
211.13399	2.2
217.06541	2.5
219.06502	5.4
219.08273	4.5
221.05992	18.6
222.06754	33.0
222.30954	2.0
223.07538	4.1
225.05328	2.6
226.06178	1.9
233.06001	40.6
234.06818	10.2
235.07495	3.9
236.08365	2.3
236.44269	1.9
237.09087	35.8
239.07019	7.3
247.07536	6.4
249.05525	14.2
249.09003	2.1
250.06270	41.5
251.07053	12.3
255.10065	2.2
261.05566	8.5
262.06442	2.0
263.06857	2.4
264.05252	2.3
264.07834	16.4
265.08609	76.6
265.11484	3.9
266.09283	5.6
267.06467	11.7
275.07108	2.6
277.04944	5.5
277.53375	1.9
278.05707	20.5
279.06610	4.2
279.10126	9.3
281.08078	5.0
282.08878	6.0
283.09637	7.4
292.07327	32.9
293.08075	66.1
294.08701	4.5
295.06018	5.6
297.11249	18.2
299.12921	2.2
307.09656	82.2
308.10147	2.5
310.08292	11.7
325.10712	100.0
343.07925	4.3
343.11819	15.5
343.17221	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1178
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01863	4.3
55.05507	2.4
65.03932	3.1
67.05519	3.8
69.07071	3.3
69.73294	5.9
69.73727	8.6
70.06583	4.5
77.32124	2.2
79.05494	7.6
81.07046	7.7
84.04479	4.1
85.02911	3.4
90.21648	1.9
91.05482	15.7
93.07043	3.5
94.04194	2.4
95.04971	5.6
95.08598	4.1
103.05470	4.6
105.07036	5.7
107.08562	5.7
109.06508	3.2
109.10149	2.9
111.04441	4.3
115.05442	13.2
119.04951	6.5
121.06499	7.5
121.10136	4.1
122.03629	5.5
123.04413	2.6
125.05997	7.2
128.88219	2.7
130.04996	3.3
131.04938	9.4
137.05981	71.9
143.04942	8.3
145.06508	7.4
145.10120	4.5
147.04427	3.5
148.40350	2.8
149.06000	13.7
149.66699	2.6
150.06807	7.4
151.03889	7.4
151.07516	3.0
153.05476	46.8
153.06734	4.1
158.03719	4.7
159.04425	7.6
160.05196	6.0
161.05907	2.5
163.07532	9.4
163.11128	4.3
165.07010	4.1
173.06021	9.7
175.03857	6.0
175.07545	14.5
176.06209	4.3
177.06978	14.0
178.07774	3.5
179.08594	2.2
181.06509	4.2
183.07991	2.7
186.03181	13.0
187.03822	4.0
191.10793	3.2
193.06497	3.9
194.07243	15.3
194.93358	2.3
195.08003	3.6
201.05455	37.2
203.07030	3.4
204.05655	5.2
205.06506	41.2
206.07315	3.7
207.08086	2.8
211.07550	5.5
219.06409	3.4
219.08253	3.2
221.05988	17.1
222.06769	36.6
223.07538	4.1
225.05490	2.7
227.07089	4.0
233.05997	39.9
234.06831	7.2
235.07573	2.8
237.09090	39.2
238.09431	2.5
239.07033	11.3
241.08565	4.0
247.07602	6.4
248.08311	3.6
249.05438	13.0
250.06261	39.0
251.06924	10.8
251.14850	2.9
261.05435	8.6
263.07153	3.1
264.07773	12.2
265.08600	72.2
266.09265	7.4
267.06564	7.8
267.10199	3.2
277.04874	5.7
278.05740	16.9
279.06656	3.5
279.10110	7.6
281.08157	2.8
282.08865	6.6
283.09775	7.0
292.07233	29.0
293.08090	73.2
294.08914	4.2
295.05972	3.5
297.11237	20.8
299.12949	4.5
301.94531	2.5
307.09644	80.4
310.08456	11.0
325.10690	100.0
325.18332	4.1
343.08090	5.0
343.11942	7.1
343.15845	3.9
353.51309	2.5
356.42111	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48503	1.0
56.96289	1.4
56.96566	26.4
69.92361	5.5
70.06586	1.9
71.95282	1.1
72.08133	1.0
82.06577	1.9
84.08134	1.3
84.96040	3.1
85.02913	0.9
85.35259	1.0
86.09705	1.4
90.98491	1.2
98.20966	3.0
98.97588	100.0
107.72970	1.0
109.99181	3.3
110.97580	23.2
112.99133	2.8
116.98629	53.0
125.98649	1.1
128.00206	3.0
128.98610	26.7
129.10269	1.7
130.93292	4.0
131.00169	4.3
134.22896	1.0
134.99664	14.2
136.07611	1.1
145.98724	1.0
146.99667	10.8
148.94286	1.2
150.98164	2.4
156.01408	2.0
157.04617	1.4
158.01306	1.3
158.99677	2.4
167.43733	1.1
167.93987	1.0
168.99193	16.7
170.99731	2.4
172.94342	2.9
174.02512	4.5
182.08150	1.8
182.99701	2.0
187.00275	67.6
189.00726	8.7
190.95419	4.8
191.64296	1.1
192.99147	1.0
193.65184	1.0
201.00723	3.9
205.01329	36.0
207.01689	1.0
208.96436	1.5
211.00262	11.3
222.98181	1.5
223.00159	5.3
229.01331	48.5
231.01811	3.9
232.96475	1.5
237.05521	2.0
241.01347	19.3
243.02921	2.3
245.06245	3.2
247.02313	8.0
249.02859	6.2
250.97470	1.1
253.01308	6.0
259.02441	3.6
271.02432	2.2
283.02628	1.8
283.06027	5.0
290.97208	1.4
300.95456	2.1
301.03439	4.5
301.06662	5.1
318.96475	2.4
319.04501	11.7
320.15820	1.7
336.97595	1.4
337.05511	5.3
343.00577	2.1
343.04504	20.7
361.05533	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	342.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64766	0.2
53.92555	0.2
55.05509	2.1
57.03434	0.3
57.07077	18.6
58.06607	0.3
60.08169	1.5
62.06083	0.7
65.03957	0.2
67.05505	2.6
67.61700	0.2
69.07076	3.4
69.77792	0.4
69.78201	0.8
71.04990	0.2
71.08634	10.2
72.08149	0.3
73.02918	2.4
74.06088	0.2
76.25806	0.2
79.05485	0.3
81.07058	3.4
82.42233	0.2
83.08200	0.2
83.08627	2.5
85.10183	4.6
86.09721	0.5
87.04478	0.5
93.07026	0.5
95.08605	4.3
97.06527	0.5
97.10181	1.4
98.21445	0.4
101.06001	0.3
107.08620	0.3
107.88984	0.2
109.10165	1.5
111.08045	0.2
111.11675	0.3
121.10146	0.4
123.11720	0.5
139.11116	0.2
156.17465	0.7
173.27716	0.2
174.18533	1.6
212.23715	0.4
230.24808	1.4
283.26321	100.0
284.26639	1.7
320.76410	0.2
324.36276	0.3
342.33624	42.2
342.37378	28.1
343.34009	0.5
348.56439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	67.3
64.55728	2.3
70.06596	2.8
70.39730	4.8
72.96043	4.2
74.17361	2.1
83.97667	2.3
84.96043	2.3
86.09679	10.7
98.21152	5.2
98.97586	31.0
110.97562	6.3
116.98639	19.2
126.02271	3.0
128.98608	9.6
130.93352	4.9
134.99632	5.2
140.03821	5.0
142.05392	5.7
146.99686	3.8
158.04900	12.6
160.06462	16.8
168.00835	3.3
168.99171	5.3
170.04895	8.4
171.03313	3.0
172.94278	4.3
176.05951	3.6
178.07529	3.7
186.01813	3.9
187.00278	23.0
188.06010	12.0
189.00763	4.1
189.04364	9.9
202.03772	2.4
205.01285	12.7
206.07014	29.1
207.05351	5.0
213.21518	2.5
224.08090	34.1
229.01308	13.5
232.96407	2.6
241.01379	6.8
253.01253	2.7
301.14255	17.6
302.12943	4.1
319.15411	100.0
320.15680	3.1
337.16431	16.1
343.04453	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1407
Annotation	3-Trehalosamine
Peak:m/z	Relative Intensity
50.58007	0.4
56.96552	0.8
70.05656	1.4
70.06598	0.7
71.06126	0.4
83.04980	0.5
84.08108	0.6
98.97559	0.5
108.20628	0.4
110.03518	5.7
110.07160	0.5
125.51412	0.4
128.00220	0.6
128.04562	0.5
135.03027	1.1
135.94859	0.4
136.07579	0.6
137.08223	2.4
153.04036	2.3
156.03333	0.4
158.01260	0.5
162.07715	0.8
163.03941	0.5
165.06447	0.7
168.03290	0.6
180.08803	100.0
181.09247	0.6
186.04390	0.8
204.05473	0.5
282.13623	0.6
301.07144	1.2
342.14307	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	342.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
55.01870	4.1
55.05514	17.1
56.05048	4.7
57.03451	4.1
61.01160	7.3
61.02925	5.5
67.05525	4.9
69.03425	10.9
69.07072	7.0
70.02958	5.5
70.06594	24.7
70.73734	7.6
71.99102	25.6
72.07850	2.9
72.08158	27.5
79.05461	4.9
80.05008	7.1
81.03402	5.6
81.07050	6.1
82.06573	27.4
83.06094	4.5
83.07333	4.1
84.04498	13.8
84.08149	17.1
85.01173	3.6
85.02919	40.8
86.09716	39.8
87.02701	36.1
88.93371	3.3
91.05450	3.4
93.07024	3.8
94.06622	3.0
97.02900	9.3
98.06002	3.6
99.02692	3.9
99.04433	3.7
102.05549	4.7
104.19207	3.0
110.07172	14.5
114.03751	17.4
117.53246	3.5
120.08112	12.2
122.03569	3.1
122.09694	6.5
127.03936	4.8
129.10243	8.5
131.08566	3.6
132.04800	100.0
132.10187	8.6
137.05965	16.9
138.06326	9.5
145.04935	6.7
148.28880	2.9
151.03909	13.9
151.04997	3.7
155.07014	4.2
162.04065	9.8
166.80360	3.4
175.07646	3.6
178.15976	5.9
180.05118	31.6
181.08600	4.2
182.12906	3.3
183.11269	5.3
187.07425	4.3
188.07922	4.6
199.09682	7.6
224.16455	12.6
232.08255	4.5
252.08867	4.2
264.11188	3.8
270.09763	7.8
280.10431	3.9
292.10495	6.0
312.13083	3.9
323.99033	3.2
324.21869	4.3
342.14771	5.2
342.19043	4.7
342.22751	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	341.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01857	3.4
55.05520	9.5
57.01005	1.3
57.03433	2.4
57.07071	4.1
57.41315	1.3
62.19040	1.4
67.05507	13.1
69.03428	5.1
69.07061	6.1
71.05011	2.4
71.08630	13.0
79.05500	15.5
81.07057	19.0
83.04981	6.6
83.08601	1.9
85.06541	2.9
91.05484	12.7
93.07052	22.6
95.04972	9.3
95.08605	15.7
96.05747	3.8
97.02897	16.0
97.06518	6.4
98.21050	2.4
99.08103	6.1
105.07037	9.1
107.05013	2.5
107.08582	5.0
109.06510	7.4
109.10159	4.2
111.04436	16.8
113.05988	4.6
116.06300	1.3
119.08592	5.0
119.29743	1.6
121.06509	11.6
121.10149	11.8
123.04447	5.3
123.08067	5.5
123.11734	2.8
124.05193	3.5
125.05958	2.9
125.09645	1.7
129.06972	2.0
131.08562	15.8
133.10121	4.1
135.08063	3.2
137.05980	1.9
137.09564	1.6
139.11192	1.9
143.08601	1.6
145.10130	2.5
147.08067	3.5
147.11684	1.7
149.02328	5.4
149.09627	10.6
151.11095	1.7
161.09579	2.7
161.13254	3.8
163.11211	2.8
165.12798	7.0
167.10681	2.6
179.14317	2.1
181.12239	100.0
182.12697	1.9
185.13417	1.5
189.12720	2.0
193.04922	3.7
193.12239	1.8
201.19084	1.5
207.13718	2.1
253.14362	2.7
253.59351	1.4
277.21622	2.7
305.21085	8.9
307.22681	2.8
324.22964	1.6
341.06448	1.8
341.20837	2.0
341.24747	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62809	1.6
53.03946	1.6
53.51957	1.3
55.01875	2.0
55.05509	4.6
67.05506	5.6
69.03433	3.5
69.07079	2.8
70.06615	3.6
70.54699	4.6
71.04986	12.1
71.61937	1.5
79.05480	6.3
80.08071	1.4
81.07054	6.6
83.08596	2.0
84.04517	4.3
84.08099	2.5
86.09716	2.0
91.05453	13.5
93.07045	6.2
94.04184	3.5
95.04961	10.9
95.08642	3.5
96.05316	2.8
97.06528	1.4
98.20866	2.3
98.21420	1.7
99.04454	26.3
100.11261	6.5
103.05489	5.0
103.62949	1.6
105.07034	52.0
107.04958	4.1
107.08595	3.6
109.06535	5.0
109.10197	1.5
115.05464	4.5
117.07040	5.5
118.06565	2.9
119.04936	11.6
119.08597	8.4
119.48275	1.4
120.05277	5.9
121.06523	5.2
121.10121	2.3
122.03641	8.9
123.04419	12.7
123.08061	3.4
123.11664	1.7
124.04758	6.9
128.06216	4.8
129.07019	3.0
130.05023	3.4
131.04912	3.0
131.08574	3.3
132.05734	3.1
133.06505	10.4
133.10127	29.1
136.07602	2.1
137.05981	100.0
138.06277	1.7
143.08598	5.9
145.06523	2.8
145.10097	2.9
146.06044	2.8
146.07220	3.3
147.04434	7.8
147.08031	6.1
148.04706	2.7
149.05992	3.6
151.03941	2.5
151.07568	3.4
159.08055	3.0
160.05223	3.0
161.06004	12.0
161.09628	46.1
162.06741	2.6
163.07619	1.8
163.11163	10.1
165.05540	2.3
165.07101	1.6
175.07552	39.4
176.14348	28.5
177.09090	2.5
177.14699	31.1
179.07114	2.7
179.10692	14.7
185.05978	2.2
187.07532	10.9
189.07466	2.2
189.09100	13.0
190.07768	2.6
191.08641	7.9
199.07581	5.6
202.07828	4.4
203.08543	7.1
207.10106	4.4
217.08675	3.9
218.07262	2.3
219.08078	11.9
220.08824	3.4
231.08018	7.4
232.08621	2.3
234.06584	1.5
247.07602	5.8
248.08345	5.7
251.10646	12.8
259.07587	4.8
263.07162	1.4
263.10791	5.5
264.07721	3.0
271.09756	3.1
276.07855	2.2
277.08545	2.1
279.10114	11.4
281.07986	2.2
291.10126	10.4
292.10767	3.0
295.13434	1.6
296.10440	2.6
311.12820	9.5
313.10806	1.7
323.12772	5.3
341.10349	3.3
341.13953	3.8
341.19376	47.4
344.30807	2.0
359.02835	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01854	1.9
60.19579	1.5
69.07049	1.6
70.06583	3.7
71.35049	3.1
79.05505	3.8
81.07056	2.7
84.04485	1.9
84.08150	10.6
84.91460	1.5
86.09697	5.7
91.05457	10.7
94.04179	3.5
95.04985	1.8
103.05447	5.6
105.07035	15.1
106.99841	1.4
107.04937	4.4
109.06501	2.7
113.67247	1.6
115.05408	4.9
117.07000	2.3
119.04918	5.9
119.08561	4.3
121.06472	1.6
122.03622	6.2
128.06209	3.3
129.07056	7.1
129.10252	2.1
130.03104	2.0
130.04948	1.8
131.04912	6.0
132.05722	3.7
133.02879	2.4
133.06519	8.7
137.05975	100.0
138.06401	1.5
145.06506	3.5
147.04442	7.9
147.06322	1.6
147.08015	5.8
149.06052	3.1
151.07539	4.7
157.06451	3.2
159.04451	1.6
160.05157	2.4
161.05975	23.2
162.06767	3.6
163.07535	2.5
172.05196	5.2
174.06755	3.7
175.07539	31.0
177.09071	4.0
179.07031	3.5
179.08484	2.4
183.08514	1.9
187.07558	22.4
189.09106	4.4
190.07784	3.7
191.08562	9.9
199.07489	1.9
202.07764	4.3
203.08485	8.7
207.06514	2.1
208.14175	1.6
211.07506	3.2
217.08615	10.6
219.08040	17.1
220.08826	4.5
227.07025	2.1
231.08095	12.5
233.05762	1.6
235.07481	4.6
236.08342	4.1
237.09068	3.9
247.07582	8.3
248.08362	11.4
251.10648	11.8
259.07550	8.7
260.08304	2.7
263.07019	2.5
263.10638	9.4
265.08594	5.1
270.08969	2.3
271.09576	4.8
276.07736	4.7
277.08545	2.4
279.10196	16.1
281.08313	3.8
283.09714	2.5
284.64615	1.7
291.10178	25.2
293.08093	4.4
296.10278	4.6
297.11346	1.9
308.10416	4.1
309.11377	8.2
311.12778	19.3
323.09308	2.4
323.12766	25.2
341.09897	2.9
341.13821	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	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.71568	1.0
53.03939	1.4
55.01870	1.2
55.05518	1.1
56.05045	1.4
57.50381	1.3
65.14120	1.2
67.05508	1.2
69.03448	1.2
69.73416	3.3
69.73821	2.5
70.06596	6.6
71.05001	1.6
72.08150	3.3
79.05502	2.5
81.07047	1.9
83.06096	3.2
84.04504	2.2
84.08130	7.6
86.09697	4.8
88.03977	1.3
91.05438	5.6
94.04189	3.8
95.05015	2.1
97.02869	2.2
102.03803	1.4
103.05485	2.3
105.07037	1.6
107.04955	2.8
109.06532	3.5
110.07147	1.7
115.05450	1.3
119.04970	3.8
119.08574	1.3
122.03637	10.2
123.04456	1.5
128.06206	2.4
129.07021	10.2
129.10260	3.2
130.06502	2.8
131.04936	3.8
132.04720	1.3
133.02837	2.3
136.06192	14.1
136.07585	2.3
137.05977	100.0
143.04924	1.8
143.08620	2.6
144.05695	4.8
145.06448	1.2
146.07201	1.3
147.04420	2.3
149.06020	2.7
151.03960	2.5
151.07567	5.1
151.24936	1.4
157.06590	6.0
158.07285	1.3
159.04442	1.4
160.05185	2.3
161.06062	2.3
163.03883	1.7
163.07516	1.5
165.05504	3.0
165.07053	3.3
171.08102	2.7
172.05171	7.0
173.05966	2.1
174.06766	14.2
175.07547	11.9
177.05475	2.9
179.07030	1.3
181.06476	1.2
182.08087	1.5
182.12953	1.8
187.07536	42.4
189.09106	18.0
190.07832	1.5
191.07053	1.5
191.08589	4.4
193.06534	2.3
197.06038	3.0
198.06931	1.3
199.07600	6.1
202.07829	3.1
202.15463	1.2
203.06654	2.5
203.08531	14.4
205.06502	3.9
207.06505	1.3
208.08778	1.7
210.12508	1.2
211.07564	7.8
215.06876	1.5
217.08580	26.8
218.07246	1.8
219.08086	10.6
220.08807	6.1
220.11891	2.2
221.06032	4.3
223.07622	3.0
227.06989	6.6
231.07835	13.9
231.10057	1.9
232.08838	3.0
233.06001	2.1
233.09651	3.1
234.06779	1.8
235.07532	3.9
236.08435	4.4
237.09158	3.4
239.07060	4.6
240.07845	3.5
245.09624	1.5
247.07533	10.0
248.08327	17.2
249.05508	4.7
249.09163	1.4
250.06273	2.3
251.07108	1.7
251.10583	7.4
253.04906	1.2
253.08644	3.5
255.06549	4.8
256.07254	1.1
259.07513	6.0
260.08423	2.5
261.09137	3.4
262.09918	1.9
263.07468	2.2
263.10638	16.8
264.07828	3.5
265.08514	9.0
268.07428	1.9
268.33682	1.2
269.08035	2.0
270.08887	12.3
271.06534	1.4
271.09564	13.8
276.07751	8.5
277.05243	1.9
277.10275	9.8
279.10156	17.8
280.10913	3.2
281.08011	2.2
283.09659	4.4
290.09500	1.4
291.10144	40.2
292.10904	3.8
293.08078	5.3
293.11401	1.7
295.06049	6.6
295.09250	1.9
296.10422	12.9
297.07767	1.4
297.11142	2.7
299.05414	2.0
308.10281	6.0
309.11002	1.8
311.12787	20.6
313.14224	1.4
323.05496	7.7
323.12766	38.2
324.12460	1.2
341.06604	3.6
341.10229	1.4
341.13867	19.5
341.21854	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01862	2.1
56.05046	2.1
57.03424	1.4
58.89584	1.5
69.03430	1.4
69.07055	1.9
69.92930	5.8
69.93349	3.2
70.06592	8.3
71.04993	5.0
79.05495	3.7
81.07047	2.3
84.04508	3.4
84.08148	3.7
85.02895	3.0
86.09705	6.8
91.05453	10.0
94.04192	2.9
95.04950	1.9
98.20942	2.6
98.21494	1.6
100.02206	2.2
103.05473	2.9
105.07038	2.1
107.04962	4.9
109.06527	4.7
115.05417	1.8
115.67405	1.3
116.07059	2.6
117.07018	1.5
119.04962	3.9
119.08588	2.6
120.08105	3.6
122.03666	9.2
129.06990	5.6
130.03206	1.8
130.05023	4.7
130.06541	6.1
131.03589	1.4
131.04936	4.0
133.02873	5.8
133.06435	1.4
137.05983	100.0
138.06404	1.5
142.98621	3.1
144.05742	4.1
145.06506	2.4
147.04411	4.1
149.06006	5.6
151.03915	2.1
151.07558	6.0
157.06477	4.5
158.00946	7.1
159.01358	8.5
160.00597	2.2
160.05170	5.0
161.05972	5.2
161.09763	1.4
163.07564	3.4
165.05502	5.2
172.05191	4.4
174.06773	10.0
175.07564	23.7
176.02058	7.3
177.02274	4.6
177.05428	7.8
177.09120	3.2
178.04884	8.4
179.03865	2.4
179.05357	13.4
179.07022	4.5
187.07555	32.1
188.08321	2.2
189.09114	14.0
190.07838	1.9
191.08551	3.0
196.05197	5.9
197.06076	1.6
199.07629	3.4
202.07727	3.7
203.08580	16.2
205.06540	4.1
206.01231	3.4
207.01506	4.3
211.07562	24.4
213.05450	3.4
217.08626	12.3
219.08031	9.0
220.08913	7.0
225.05478	2.8
227.07045	15.7
228.07777	2.9
231.08138	15.6
232.08772	4.1
233.05988	4.3
233.09431	1.6
234.06886	2.0
235.07570	3.2
236.08290	3.3
237.09090	4.3
239.07057	12.0
240.07817	14.8
241.08629	1.7
247.07541	6.4
248.08342	24.1
249.09045	3.1
251.10681	4.5
254.09445	2.0
255.06590	8.9
256.07343	9.3
259.07529	7.2
260.08328	3.0
261.09036	2.8
262.06250	1.8
263.10687	19.0
264.07712	3.3
265.08575	6.9
268.07306	3.3
270.08884	22.5
271.09668	41.2
276.07840	12.8
277.08502	7.0
279.10156	11.2
280.10907	3.1
281.08115	2.6
283.09641	12.5
285.11118	1.5
291.10178	49.2
291.13458	2.7
292.10901	3.5
293.08081	5.8
295.09723	2.6
296.10315	7.6
297.11215	3.6
305.11679	2.4
308.10526	7.5
309.11160	3.5
311.12814	8.8
323.09512	1.9
323.12790	37.3
341.09982	2.8
341.13925	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	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03933	1.8
55.01860	2.6
55.05505	2.5
67.05489	4.4
69.03435	5.4
69.07069	18.0
71.04999	4.7
71.10315	4.4
71.21809	1.5
77.57900	1.4
78.48764	1.5
79.05497	6.7
81.07056	11.0
84.08141	2.6
86.09690	1.8
89.02375	1.9
91.04623	2.0
91.05482	7.1
93.07040	4.2
94.04194	2.2
95.04964	3.5
95.08625	5.8
97.06541	11.8
98.20599	1.3
98.21298	1.8
100.11311	1.5
103.05426	2.4
105.07035	6.4
107.04922	3.4
107.08580	5.3
109.06521	7.3
109.10165	2.9
111.08105	8.1
115.07586	6.5
117.07030	2.2
119.04976	3.6
119.08608	3.1
121.06521	2.1
121.10143	4.4
122.03680	7.4
123.08098	2.9
123.11751	3.7
127.13834	1.8
128.06213	2.3
129.07050	9.2
131.04944	4.5
133.02840	5.4
133.10107	3.9
137.05978	100.0
137.09552	2.8
137.13208	1.8
143.08531	3.5
144.05713	3.3
145.02823	2.5
145.06470	3.5
147.04434	3.5
147.11703	3.9
149.06004	4.0
151.03871	2.1
151.07524	4.8
157.06448	5.6
159.01483	1.6
160.05228	4.7
161.05977	2.6
161.09589	3.8
163.07631	3.1
165.05495	4.8
165.12773	10.2
171.07976	2.0
172.05176	4.9
174.06781	7.1
175.07553	18.0
177.05504	9.1
177.09157	1.9
178.05852	1.6
179.07097	2.8
179.10664	3.5
186.26234	1.6
187.07559	27.3
189.09094	12.0
191.08621	2.0
193.10185	2.0
196.05177	6.8
197.05843	2.5
199.07571	3.6
202.07741	2.2
203.08612	11.4
205.06468	5.1
205.08475	2.3
207.08046	2.5
207.10040	1.9
207.13847	2.2
211.07527	15.6
212.04605	1.8
213.05469	4.3
217.08525	14.1
219.08083	6.0
220.08801	6.9
221.05865	2.0
227.06999	11.3
228.07784	3.5
231.08073	13.9
232.08745	3.0
233.05965	2.3
234.06873	1.8
235.07535	4.2
236.99147	2.9
237.09074	3.1
239.07002	12.2
240.07843	9.8
241.04993	1.8
241.08676	1.7
247.07549	7.2
248.08356	20.7
249.09213	2.8
251.10655	6.0
253.08533	2.9
255.00182	2.3
255.06548	7.7
256.07355	5.8
259.07553	5.1
261.09250	2.2
263.07858	2.9
263.10632	17.7
265.08627	5.9
270.08859	22.1
271.09659	44.3
276.07800	12.5
277.08646	5.0
279.10034	9.5
280.10901	2.1
281.08191	2.9
281.11676	2.8
283.09570	10.2
291.10144	51.1
292.10925	3.6
293.08112	3.6
296.10461	8.0
297.11127	3.0
308.10364	3.5
309.10922	2.4
311.12814	10.1
313.14221	3.2
323.09433	3.1
323.12781	36.0
324.12900	1.8
341.05954	1.7
341.09808	3.4
341.13882	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0865
Annotation	AESCULIN
Peak:m/z	Relative Intensity
52.49707	0.3
57.50273	0.3
59.81176	0.3
61.02910	0.5
61.48858	0.3
69.03419	1.1
70.06607	1.4
71.15502	0.4
72.08160	0.5
73.04745	0.4
81.03439	0.4
84.01839	0.3
84.08128	0.9
85.02911	2.0
89.03909	0.4
91.05841	0.3
97.02884	0.8
105.03371	0.5
109.02834	0.6
117.03472	0.3
119.08617	0.3
123.04436	10.5
129.10236	0.4
130.03232	1.4
131.03577	0.4
133.02864	9.0
135.04399	2.4
137.05992	0.6
147.04402	0.4
151.03917	4.0
176.05699	0.5
179.03403	100.0
180.03748	0.8
185.56451	0.3
246.25676	0.3
247.34996	0.3
276.58575	0.4
297.15274	0.6
341.08362	1.4
341.17914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63189	0.6
53.03932	1.2
55.01862	2.3
55.05524	4.3
56.05031	0.8
57.03431	1.9
57.07052	0.7
58.06599	4.8
60.04527	16.9
62.50433	0.7
67.05172	0.7
67.05507	9.9
68.05019	2.4
69.03421	1.8
69.07069	38.4
70.06580	2.1
71.04996	8.7
71.37669	1.3
71.38010	0.7
72.04486	1.1
73.06565	4.5
79.05494	20.2
80.05013	3.2
81.03414	3.1
81.07058	10.5
82.06573	2.2
82.07383	1.0
83.04975	2.0
83.08609	1.9
84.04509	1.2
84.08147	6.0
85.06539	2.4
86.09708	25.0
86.10233	1.3
88.07631	2.4
91.05477	7.6
93.07047	10.5
94.06556	3.7
95.04979	5.0
95.08623	4.8
96.08124	2.8
97.06538	11.0
98.09702	0.9
100.07608	1.7
100.11246	2.5
103.05524	1.0
105.07039	6.8
106.06571	0.9
107.04957	3.0
107.07337	0.8
107.08604	6.1
108.08104	2.1
108.08786	0.7
109.06512	3.5
109.10133	1.7
110.06060	2.2
110.09696	1.0
112.07607	15.2
113.06017	0.9
115.07574	2.3
117.07028	2.7
118.06551	1.0
119.08581	5.2
120.08061	1.4
120.08891	1.0
121.06528	1.2
121.10130	8.7
122.09660	8.8
123.08051	2.6
124.07609	1.9
125.05979	2.6
127.07460	1.2
128.10722	26.0
128.11659	1.6
129.06960	1.8
130.08621	1.3
131.08577	6.1
132.08090	1.7
133.06494	1.7
133.10130	2.8
134.09659	1.9
135.08051	2.5
136.11198	2.1
137.06038	1.1
137.09613	1.0
138.12769	3.3
143.07037	21.8
143.08664	1.1
145.10150	3.6
146.09657	1.6
147.08040	2.0
147.11693	2.4
148.11230	2.4
149.09625	5.6
150.09122	0.8
154.08609	4.0
157.10143	1.8
159.08080	1.9
160.11214	0.8
161.08096	4.6
161.09483	1.3
162.12733	3.8
172.09715	5.2
172.98724	0.8
175.11208	1.1
176.10724	1.3
177.09134	3.0
180.13846	12.8
181.10052	0.7
182.15367	1.0
192.13786	0.7
194.11841	1.6
195.10194	4.7
196.13321	1.0
198.14957	2.5
199.14801	0.9
210.14966	2.5
227.17645	1.4
244.17082	1.6
245.15462	1.8
262.18048	7.0
263.16431	4.6
280.19064	14.5
281.75381	0.7
285.79800	0.8
298.20297	0.8
304.19159	1.5
322.20172	14.6
339.04666	0.7
340.21213	100.0
341.21432	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
54.09757	3.2
55.01867	8.1
55.05514	5.8
57.03435	5.0
61.02924	4.8
69.03438	37.6
70.06580	10.8
71.04990	7.4
71.42885	6.2
72.08164	9.1
73.02917	7.1
81.03429	29.7
81.07038	6.6
84.04514	26.2
84.08162	6.9
85.02423	5.9
85.02910	100.0
86.09701	5.8
87.00834	55.2
87.46310	3.8
91.03973	3.4
91.05485	8.6
95.06181	3.6
97.02899	36.2
97.17222	3.2
99.04445	12.6
100.02227	7.0
105.01879	81.3
109.02884	29.2
110.07206	3.9
113.34905	3.2
113.67571	3.3
117.01863	4.9
119.04939	3.8
119.08586	4.5
120.08105	3.6
127.03924	76.9
130.05005	29.7
137.05994	7.1
142.98589	16.4
145.04968	40.3
147.04408	7.6
148.02480	6.4
158.00958	58.5
159.02887	15.8
176.02011	39.3
193.12216	5.7
206.01302	21.1
211.13304	9.0
231.05020	21.6
340.08408	6.4
340.17282	4.6
340.21088	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.9
56.96560	1.0
60.04533	3.3
60.04794	0.7
70.06594	1.0
70.42007	1.6
72.57763	0.5
74.06097	4.4
83.06107	1.5
84.04497	1.5
84.08144	2.4
86.06056	0.8
86.09697	1.2
91.05476	7.6
94.44858	0.5
96.50980	0.6
98.20835	0.7
98.21393	0.8
102.05547	2.5
107.04984	1.6
110.07169	3.6
119.04945	8.9
120.06587	6.7
120.08063	0.6
123.04421	0.8
130.05011	2.5
131.08167	4.2
136.07581	100.0
137.07961	0.9
144.12523	0.5
147.04414	2.0
159.07697	4.1
160.07501	0.8
165.05490	4.6
182.08130	7.5
187.07141	2.5
193.09732	39.3
209.10489	0.6
221.09200	5.3
223.10794	2.1
251.10397	0.6
256.03970	0.6
265.09296	0.8
265.11789	4.5
269.11340	2.4
322.13983	9.2
340.05865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2892
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03944	1.5
55.01873	0.9
55.05513	39.7
55.05783	1.9
57.03441	21.2
57.06819	1.4
57.07075	17.1
67.05168	1.4
67.05506	24.9
69.07070	46.6
69.93423	3.5
71.04957	0.9
71.08632	7.3
72.04504	1.0
72.08146	1.5
76.71226	0.7
79.05499	11.0
80.45992	0.7
81.07056	24.7
83.04980	0.9
83.08619	31.5
84.33560	0.8
85.06519	2.4
85.10183	3.8
91.05462	2.3
93.07054	15.7
95.08611	26.5
97.06534	4.5
97.10167	18.0
98.21001	2.3
105.07072	1.0
107.08595	8.6
109.10155	12.5
111.08080	3.0
111.11719	5.9
121.10148	15.5
123.11720	4.9
125.09615	1.8
125.13221	1.1
127.11156	1.0
134.53349	0.8
135.11697	13.2
137.13234	1.2
138.74831	1.0
139.11180	2.1
149.13231	4.8
151.14862	1.1
153.12782	1.9
163.14821	2.3
165.16429	1.3
172.62971	0.8
177.16551	0.8
247.24237	2.7
250.48244	0.9
265.25311	5.1
283.16785	1.5
285.41946	0.8
298.30640	0.9
334.52777	0.9
339.13373	1.7
339.28949	100.0
340.29236	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	339.253
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
50.75832	4.4
55.05516	34.9
57.03441	14.5
57.07069	16.1
67.05512	42.4
68.05842	4.9
69.03449	9.0
69.07065	53.4
70.67786	7.3
71.05000	5.4
71.08636	34.4
79.05485	31.8
80.93508	5.3
81.07056	64.2
82.07375	4.9
83.08633	30.0
85.06528	5.3
91.05470	14.8
93.07051	30.2
95.04971	11.5
95.08617	46.8
96.95673	4.5
97.06506	10.9
97.10172	16.3
99.07562	3.9
99.08094	27.7
105.07037	14.7
107.08570	20.7
109.06492	29.2
109.10169	18.2
111.11732	7.0
117.07007	5.6
119.08588	14.2
121.06509	6.5
121.10133	16.0
123.11688	6.4
131.08586	11.7
133.10103	12.0
135.08069	8.1
135.11710	9.6
136.83244	4.0
137.09612	6.7
139.11212	12.2
143.08585	4.0
145.10126	8.7
147.11702	8.6
149.13266	5.7
163.11133	8.5
165.12772	68.5
173.13190	5.0
177.12718	15.9
181.15810	19.2
191.14299	7.7
193.04980	4.3
201.12712	4.6
201.31532	4.7
202.52525	4.8
229.12219	10.0
253.19467	4.4
261.22147	22.2
265.18045	4.5
265.25082	4.6
271.20563	8.2
279.23175	10.1
289.21631	100.0
307.22653	29.8
321.24234	88.2
339.18677	4.3
339.28845	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01886	8.1
55.05515	17.9
56.05028	3.9
57.03184	1.9
57.03442	19.8
57.07087	1.8
61.01145	3.2
65.03951	3.1
67.05165	2.7
67.05505	35.6
68.05022	1.5
69.03436	9.6
69.07070	29.3
70.06603	10.3
71.04990	5.6
71.57851	2.6
72.08125	1.6
79.05498	49.2
81.03411	9.9
81.07059	74.6
83.04978	6.8
83.08623	14.1
84.04510	3.3
84.08135	3.9
85.02917	4.1
85.06548	4.1
86.09699	3.5
89.03335	1.7
89.03913	4.4
91.05484	38.3
93.07047	49.6
95.04957	10.9
95.08601	43.5
97.02900	5.0
97.06535	11.3
97.10158	2.0
98.06064	2.9
99.04456	3.1
99.08076	4.0
100.11249	4.9
101.04254	2.4
103.05463	5.3
104.05338	5.4
105.07034	26.4
107.04980	11.0
107.08601	25.7
109.02888	3.8
109.06537	18.3
109.10155	16.7
111.04403	2.4
111.08084	4.9
115.05469	3.2
116.06189	1.6
117.03368	16.8
117.07031	10.2
119.08586	27.9
120.08115	14.8
121.06480	4.5
121.10141	20.5
123.08050	12.5
123.11713	4.0
125.09653	2.6
127.03948	3.2
127.07566	2.6
129.06995	4.1
130.05038	2.6
130.06540	2.2
131.04927	2.9
131.08575	23.2
133.06491	3.7
133.10132	18.1
135.04361	2.2
135.08047	18.1
135.11697	6.4
137.05965	10.6
137.09647	13.7
139.11172	5.8
141.06998	4.0
143.07086	2.8
143.08565	7.2
145.02850	47.7
145.06477	2.1
145.10107	21.1
146.06340	4.1
147.08061	4.9
147.11705	8.2
149.05980	8.7
149.09615	24.4
151.03862	3.3
151.11186	3.5
153.09076	3.9
155.10614	2.1
157.10165	3.3
158.07140	1.9
158.28471	1.7
159.08096	3.2
159.11693	7.6
161.09616	5.3
161.13235	3.8
162.05388	1.8
163.03886	2.1
163.11209	9.3
165.09131	7.0
166.08676	7.4
167.10669	2.6
169.10153	5.3
171.11702	5.0
173.09615	2.9
173.13182	1.9
175.11211	3.1
175.14758	2.2
177.05476	100.0
177.09032	3.9
177.12766	2.0
177.18707	1.9
178.05798	2.5
179.10710	3.2
183.11678	3.5
185.13249	3.1
187.14830	5.1
189.05426	4.8
195.06546	2.9
201.12799	2.1
201.16415	8.9
209.34645	1.7
211.14848	6.9
215.06943	2.1
219.17448	5.8
229.12317	9.6
229.15904	18.4
234.06862	1.9
237.18509	3.8
247.13225	1.9
247.16948	30.5
251.10707	2.8
265.18021	7.8
279.10123	2.9
297.07901	2.2
307.09241	3.8
311.12820	2.9
321.09921	5.4
321.20584	7.9
339.08026	2.4
339.11789	5.3
339.17618	3.5
339.21680	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	339.2167
Annotation	Cytosporin D
Peak:m/z	Relative Intensity
53.03952	3.6
55.01868	9.0
55.05510	11.1
56.96576	2.7
57.03440	10.5
65.03958	2.2
67.05507	31.6
69.03428	3.5
69.07069	22.2
70.31268	3.9
70.31632	3.1
71.04994	4.2
73.50670	1.6
79.05495	25.4
79.05906	2.8
81.03428	6.1
81.07060	34.6
83.04987	9.1
83.08622	3.4
85.06526	3.0
91.05484	29.6
92.22640	1.5
93.07050	39.7
95.04959	11.0
95.08611	17.6
97.06533	9.2
99.08128	2.4
101.04250	2.5
103.05447	1.9
105.07034	33.5
106.39702	1.5
106.40522	1.6
107.04971	12.7
107.08598	20.7
109.02926	1.8
109.06509	8.3
109.10143	10.7
111.04491	1.9
111.08086	2.6
117.07040	16.3
119.08577	23.8
121.06535	10.6
121.10139	19.0
123.04456	2.7
123.08096	10.7
123.11726	2.0
128.06287	2.0
129.07002	7.3
130.06548	11.6
130.07756	2.0
131.06952	2.5
131.08571	36.8
133.06496	3.5
133.10150	19.2
135.08020	8.9
135.11693	12.5
137.09581	7.6
139.42480	1.3
141.06982	2.7
143.08540	8.7
145.06462	3.8
145.10135	42.3
147.08116	7.2
147.11711	5.8
149.06033	3.2
149.09624	31.4
149.13309	3.7
151.11154	13.2
155.08571	4.6
157.10149	5.4
158.07182	1.6
159.08136	3.9
159.11696	14.9
161.09642	6.1
161.13309	4.5
163.11189	39.7
165.09123	1.9
169.10172	5.3
171.11673	3.7
173.05959	2.8
173.09650	8.4
173.13251	4.9
175.07570	2.5
175.11252	3.2
177.05594	2.5
177.09152	1.9
177.12766	6.7
177.16406	2.1
179.10709	8.1
183.11731	2.4
185.13307	4.1
187.07542	3.0
187.11157	8.7
187.14810	11.9
188.08405	2.1
191.10701	10.8
194.07088	1.5
195.07944	1.8
199.01910	2.1
199.07521	1.8
201.12643	1.5
201.16417	13.4
203.14308	2.9
205.12288	2.7
209.09943	1.8
209.11708	3.4
211.07501	2.0
211.14836	7.0
219.17448	18.0
227.10699	2.2
229.12294	7.1
229.15863	22.2
247.13225	3.5
247.14290	2.8
247.16943	49.5
255.10345	1.9
265.18030	34.6
269.15286	2.6
279.13824	2.2
297.14926	6.2
303.19406	1.4
321.20615	49.7
321.24289	3.2
339.15781	4.5
339.21692	100.0
340.22040	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15368	1.3
50.67103	1.2
51.85828	1.4
53.03931	4.1
55.01654	1.3
55.01874	11.4
55.05513	18.5
57.03186	1.6
57.03438	21.0
65.03932	3.2
67.05173	2.5
67.05506	41.1
69.03438	13.0
69.07065	19.2
69.51848	3.0
69.52261	8.7
71.01341	1.7
71.04976	4.8
72.38818	1.5
79.05064	3.1
79.05494	49.6
81.03411	4.2
81.07055	100.0
83.04977	6.5
83.08624	8.9
85.06557	1.9
89.45280	1.3
91.05480	36.6
93.07040	41.0
95.04984	11.7
95.08606	46.0
97.06532	8.6
97.10136	1.4
98.20961	5.3
98.67104	1.3
99.08089	1.9
105.07031	17.9
107.04966	8.6
107.08595	22.8
109.06512	21.3
109.10157	17.3
111.08092	3.3
115.05400	1.9
115.26292	1.7
117.07034	14.7
119.07774	2.4
119.08578	28.8
121.06500	4.9
121.10146	19.8
123.04408	2.7
123.08064	18.1
123.11695	2.9
125.09636	3.5
127.07556	2.0
129.05460	2.3
129.06970	3.2
130.52519	1.3
131.08566	15.5
133.06491	2.2
133.10162	10.8
133.11023	2.0
135.08044	15.7
135.11681	4.6
137.09619	24.0
139.11177	5.0
141.06976	2.9
143.08530	2.9
145.02977	1.7
145.06454	2.0
145.10120	11.3
147.08054	6.9
147.11662	5.3
149.09598	13.9
151.07562	9.6
151.11194	2.0
153.09071	1.6
155.08554	2.9
155.10655	1.4
157.10121	1.6
158.51714	1.4
159.08083	1.3
159.11714	8.5
161.09612	2.8
161.13226	2.5
163.07503	4.1
163.11140	4.9
165.09097	5.6
167.10727	2.9
167.51833	1.6
169.10089	4.4
171.03432	1.3
171.07993	1.9
171.11717	2.0
173.13177	3.0
175.11214	2.1
177.05516	1.9
177.09109	2.6
183.10159	1.9
183.11705	2.3
185.13254	1.5
187.11232	2.4
187.14726	3.8
189.12842	2.0
189.16280	1.6
191.10634	1.5
191.14401	1.4
201.16388	8.1
207.13751	1.8
211.14810	5.0
219.17424	8.7
229.15875	8.3
241.14307	2.7
247.13260	1.7
247.16916	23.4
265.17938	3.9
293.16409	1.8
300.11349	1.4
321.20731	10.7
339.17477	2.1
339.21707	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	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05317	1.6
52.81895	1.6
53.03946	4.5
55.01872	13.4
55.05509	18.2
57.03442	21.7
63.18632	1.8
65.03937	2.4
66.79786	1.9
67.05507	40.3
69.03438	6.2
69.07069	19.3
69.76357	10.5
71.04974	5.1
71.74874	1.7
79.05499	47.8
81.03402	6.4
81.07059	100.0
83.04978	6.9
83.08625	11.7
91.05478	34.4
93.07048	42.9
95.04965	11.6
95.08612	46.1
96.19505	1.7
97.06547	10.9
103.05486	3.4
104.83736	1.8
105.07030	17.1
107.04958	13.3
107.08591	22.7
109.06517	21.8
109.10156	18.5
111.08066	2.9
115.05473	2.6
116.79053	2.1
117.07023	15.9
119.08585	30.7
121.06493	3.6
121.10156	16.8
123.08081	15.3
123.11727	2.1
125.09637	3.1
127.13120	1.7
129.05511	2.5
129.07051	3.2
130.06520	20.8
131.08582	14.5
133.10120	12.1
135.08052	23.3
135.11684	5.6
137.09621	20.9
139.11142	3.8
141.06978	4.2
145.06438	2.5
145.10136	13.4
147.08067	3.9
147.11664	2.1
149.09634	16.4
151.07549	5.2
153.09109	3.1
155.10663	2.2
159.11678	5.8
161.09605	2.1
161.13242	2.1
163.07584	4.9
163.11169	6.4
165.09142	5.0
173.09648	2.8
173.13324	4.4
175.11240	1.9
177.09142	2.1
183.10159	3.1
187.11279	3.6
187.14810	2.3
201.12715	2.5
201.16295	9.3
211.14816	5.7
219.17448	7.2
229.12277	3.6
229.15825	9.4
247.13306	3.3
247.16920	30.0
265.17984	4.1
321.20551	11.8
339.21796	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84618	2.4
51.39701	2.4
53.03946	3.6
55.01871	10.0
55.05511	21.1
57.03439	12.6
57.07064	3.8
59.45854	2.8
67.05508	36.1
69.03432	7.7
69.07072	40.4
70.06581	4.0
71.04990	5.1
71.57839	3.7
79.05492	55.7
81.03406	7.8
81.07057	69.9
82.65265	2.9
83.04998	15.1
83.08637	9.0
84.04546	4.0
85.06555	4.4
88.43399	2.7
91.05486	48.1
93.07047	55.3
95.04980	19.7
95.08614	38.3
97.06538	14.0
97.10165	4.2
103.05463	3.7
105.07042	49.1
107.04980	16.2
107.08598	29.3
109.02972	2.9
109.06551	14.7
109.10133	20.8
111.08109	4.2
117.03341	3.1
117.07050	19.9
119.08594	38.9
121.06519	48.5
121.10166	30.4
123.04473	3.9
123.08091	14.3
123.11700	6.5
129.06931	4.5
129.10277	2.7
130.06520	3.2
131.08577	37.8
133.06485	4.0
133.10124	27.1
135.08095	17.0
135.11674	17.8
137.09612	14.4
143.08621	9.7
145.02876	4.8
145.06508	5.5
145.10127	50.7
147.08058	9.3
147.11708	13.0
149.05959	5.7
149.09644	44.7
151.11206	9.6
155.08585	8.6
157.10155	10.3
159.10620	3.0
159.11705	17.3
160.08856	3.6
161.09645	7.9
161.13367	4.5
163.11198	92.2
163.12537	5.8
165.09186	5.8
165.12828	3.4
169.10176	11.2
171.11749	5.0
173.09685	12.4
173.13266	5.4
174.21976	3.1
175.11176	14.7
177.05501	7.9
177.09145	4.1
177.12756	7.3
179.10768	9.7
185.13319	7.0
187.11232	12.7
187.14890	12.7
191.10841	9.4
193.12303	5.2
201.12799	4.0
201.16389	14.7
205.12204	4.8
209.11681	4.4
211.14883	7.9
219.17482	19.1
229.12268	16.4
229.15866	20.5
243.25902	3.7
247.13437	8.3
247.16930	52.9
265.14124	3.0
265.15121	4.4
265.17969	42.6
269.10620	3.8
306.02518	3.4
321.17368	5.6
321.20755	54.5
339.13675	3.7
339.21768	100.0
349.16733	5.0
356.96005	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01862	0.6
55.05512	0.6
56.05039	0.4
56.96561	0.3
57.03433	0.5
59.05005	0.3
61.02918	0.9
66.86284	0.3
67.05508	0.8
69.03429	6.2
69.07076	0.6
69.54528	2.0
70.06581	1.0
71.39390	0.2
72.08150	1.2
76.93258	0.3
79.05489	0.9
81.03422	5.1
81.07061	1.1
83.04943	0.4
83.08627	0.3
84.04504	1.0
84.08140	1.3
85.02907	2.0
86.09686	0.8
89.03918	5.7
89.06831	0.3
91.05491	2.0
93.07044	0.9
95.04952	0.7
95.08607	0.8
97.02886	1.1
98.20763	0.3
99.04451	0.4
100.02197	0.9
100.11261	0.4
103.05468	1.1
105.07052	1.2
106.04166	0.4
107.04948	0.6
107.08588	0.4
109.02875	1.8
109.10199	0.4
117.03379	19.6
117.06991	0.3
117.16114	0.3
118.03680	0.3
119.04929	0.5
119.08555	0.6
120.08112	2.5
121.02798	0.3
121.06505	0.6
121.10104	0.6
123.04412	0.8
123.08066	0.3
127.03915	2.7
130.05005	0.4
130.06549	0.5
131.04898	0.6
131.08580	0.5
133.06497	0.5
133.10097	0.5
134.03650	1.1
135.04428	1.5
137.05975	3.2
137.09604	0.4
145.02843	50.4
146.03160	0.5
147.04417	0.6
149.05977	7.1
149.07112	0.5
149.09645	0.4
151.03903	0.7
151.07651	0.3
157.06400	0.3
159.11710	0.3
161.06020	0.5
161.09619	0.4
163.03883	0.9
163.07553	0.5
163.11197	0.4
172.07590	0.3
177.05467	100.0
178.05840	1.2
179.19038	0.3
186.05496	1.0
189.05420	0.5
195.06531	1.5
205.06537	0.4
207.06593	0.5
215.07047	0.7
229.12259	1.1
247.08974	0.4
263.06769	0.3
293.09262	0.9
307.09473	0.5
311.09131	0.3
321.09705	5.0
322.25540	0.3
339.10757	3.4
339.17996	0.9
339.28107	0.4
348.21130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.05512	0.6
57.03431	0.5
61.02920	1.1
67.05499	0.6
69.03429	6.4
69.07082	0.3
69.41268	1.6
69.41692	0.9
70.06591	1.2
72.08163	0.4
76.02213	0.6
79.05489	0.4
81.03426	0.6
81.07058	0.5
83.04935	0.4
84.04539	0.4
84.08157	0.3
85.02905	0.9
86.09701	0.3
89.03913	5.1
89.04411	0.5
91.05477	1.1
93.94670	0.3
97.02873	0.6
98.09696	4.4
98.21533	0.5
99.60468	0.3
100.07643	0.4
100.11247	1.1
103.05817	0.4
106.04163	0.5
107.08582	0.4
109.02887	0.4
110.06046	0.3
111.04440	0.4
113.63103	0.2
117.03378	19.6
119.04961	0.4
119.08588	0.4
120.08142	0.5
121.10120	0.3
127.03915	2.9
128.07097	0.3
130.06522	0.8
131.06857	0.3
131.08575	0.3
134.03656	1.0
135.04416	1.0
135.08037	0.4
137.05969	0.8
141.11459	0.6
145.02844	52.9
145.10027	0.5
146.03294	0.4
147.04414	0.4
149.05984	7.5
163.03967	0.6
172.01418	0.3
177.05467	100.0
178.05804	1.2
182.15402	0.9
182.94934	0.3
186.05498	1.1
195.06485	0.7
197.18449	0.3
209.16588	0.4
210.14854	0.7
218.66156	0.5
229.12323	0.4
261.07593	0.5
321.09650	1.2
336.22690	0.4
339.10504	3.2
339.21671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13085	0.3
53.03942	1.6
53.93108	0.4
55.01870	1.1
55.05504	0.7
57.03426	0.7
61.02935	0.6
63.02370	0.5
67.05513	0.8
69.03432	7.2
70.06588	2.1
71.04968	0.8
71.23608	0.6
72.08149	1.3
73.02919	0.7
78.04698	0.4
79.05491	0.7
81.03419	11.0
81.07043	0.6
83.08619	0.3
84.04507	1.0
85.01106	0.5
85.02908	3.9
86.09708	1.0
89.03914	7.1
91.05489	1.1
93.07055	0.5
95.04978	0.5
97.02888	0.9
98.21018	0.5
99.04448	1.0
100.02245	0.5
103.05447	0.7
105.07031	1.0
106.04166	0.7
107.05006	0.3
107.08640	0.4
109.02894	3.9
117.03384	22.4
119.04939	0.7
119.08530	0.5
120.08131	1.5
121.10188	0.4
127.03963	2.3
130.05013	0.4
130.06523	0.9
131.04941	0.5
131.08679	0.4
134.03630	2.2
135.04474	1.9
137.05977	2.0
143.08549	0.4
145.02850	54.7
145.10114	0.5
146.03157	0.6
147.04407	1.5
149.05988	7.9
151.03899	0.6
163.03915	1.3
177.05476	100.0
178.05815	1.3
179.10417	0.4
186.05486	1.3
189.05444	0.7
191.08217	0.5
195.06552	2.4
204.04584	0.3
205.09805	0.6
215.06894	0.4
229.12204	0.8
250.06662	0.4
251.46274	0.3
277.50894	0.4
293.09659	0.6
321.09698	13.3
339.04761	0.8
339.10745	3.6
339.17987	0.5
339.28247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32235	0.6
53.03936	0.9
55.01843	2.7
55.05518	11.8
56.75787	0.6
57.03405	1.1
57.07045	2.3
60.08128	2.6
61.01126	0.6
65.03917	0.9
67.05510	35.2
69.07076	16.4
69.55194	4.6
71.04973	0.9
71.07348	0.7
71.08620	1.4
73.02920	6.7
79.05501	13.2
81.07062	34.3
83.04942	3.0
83.08629	7.7
85.06497	0.8
86.09673	1.1
87.04446	0.8
91.05492	11.0
93.07047	11.4
95.04929	0.9
95.08613	23.9
96.08938	0.7
97.06526	2.0
97.10159	1.6
99.04459	17.4
99.08061	1.6
105.07027	6.9
107.08586	4.0
109.10169	4.9
113.05971	2.6
119.08596	4.9
121.10141	3.6
123.07991	0.9
123.11669	2.2
133.10133	3.8
135.11656	3.3
137.09648	0.9
137.13220	1.6
145.16418	0.7
147.11717	3.7
149.13246	1.3
153.12709	1.0
159.85483	0.7
161.13196	1.0
165.12813	0.7
197.15410	1.4
217.19514	1.7
235.20602	0.9
254.15700	0.7
279.23199	100.0
280.23514	1.1
283.16986	1.3
338.30548	75.4
339.30807	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
55.01870	0.5
55.05509	0.5
57.03435	0.3
58.99591	0.3
61.02928	1.2
63.02366	0.3
67.05499	0.9
69.03071	0.5
69.03432	8.0
69.07066	0.7
70.06583	1.8
71.04989	0.2
71.06924	0.4
71.58646	0.3
76.02246	0.3
79.05499	1.0
80.78480	0.2
81.03419	0.7
81.07064	1.3
83.04995	0.4
83.08634	0.3
84.04500	0.3
84.08165	0.3
85.02916	0.7
86.09699	0.9
87.02657	0.3
89.03915	5.5
90.96740	0.3
91.05459	1.3
93.07029	0.8
95.04968	0.3
95.08611	0.7
97.02881	0.6
97.06521	0.3
98.09644	0.2
103.05473	0.5
105.07036	0.7
106.04176	0.5
107.04808	0.3
107.08573	0.6
109.00999	0.2
109.02879	0.7
109.06569	0.4
109.10141	0.3
115.05444	0.3
117.03378	19.1
117.07046	0.3
119.04925	0.3
119.08550	0.5
121.06542	0.3
121.10106	0.5
127.03912	3.2
130.05014	0.2
131.04926	0.3
131.08620	0.4
133.10106	0.2
134.03642	1.1
135.04440	1.4
135.08008	0.8
136.07556	0.7
137.05988	0.9
137.09694	0.2
145.02846	54.3
146.03206	0.5
147.04440	0.5
147.11613	0.3
149.05989	6.5
149.09601	0.4
163.03902	0.5
164.57735	0.3
173.79073	0.3
177.05467	100.0
178.05829	1.3
186.05484	1.1
195.06496	1.0
201.16321	0.4
229.12224	0.8
229.15846	0.4
247.13387	0.5
247.16956	0.6
261.07397	0.3
293.07724	0.2
293.13812	0.2
300.40472	0.2
304.10794	0.2
318.36603	0.3
321.09753	1.4
329.57431	0.3
339.10709	4.9
339.17413	0.4
339.21625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.05506	4.9
60.04526	64.4
60.35343	0.6
67.05502	11.1
67.41583	0.8
69.07065	2.6
70.02944	2.5
70.17795	1.1
71.08666	0.7
77.03896	0.7
79.05495	20.2
79.05954	1.2
81.07059	11.7
83.08604	1.7
85.06547	1.5
88.03993	35.3
88.54205	0.6
91.05469	6.9
93.07049	19.8
95.04977	2.1
95.08611	7.4
98.21177	1.4
99.08089	0.9
105.07053	5.6
106.05031	100.0
107.08597	6.2
109.10162	3.2
117.07014	2.4
119.08581	3.5
121.09337	0.9
121.10158	10.0
123.11695	1.8
125.09608	1.3
131.08592	3.8
133.10136	3.2
135.11703	8.9
145.10150	4.2
147.11708	2.0
149.13306	3.5
159.11739	3.4
161.13394	0.9
162.26700	0.7
173.13290	2.3
187.14699	0.9
205.19472	1.1
215.17967	7.1
233.18951	5.8
320.22244	1.3
338.23373	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	338.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.42772	0.5
57.03436	0.6
61.01156	0.5
61.02916	1.1
69.03407	0.7
69.07048	0.5
69.68011	1.8
69.68422	0.8
70.06608	0.9
71.01356	0.6
71.04958	0.5
71.99148	0.5
72.30685	0.5
79.05517	0.6
81.03410	1.1
83.04978	0.8
84.04505	1.8
84.08130	1.6
85.01112	0.7
85.02896	1.4
86.09702	1.4
87.02687	0.8
91.05475	1.2
92.63099	0.4
97.02896	5.3
98.21190	1.7
99.05595	0.6
103.05479	1.2
105.07018	1.1
106.06529	0.5
106.98602	0.5
109.95923	0.5
115.05404	0.5
117.03719	0.8
117.05788	3.6
117.07054	0.6
117.99093	0.5
118.06559	0.9
119.04907	0.6
120.08121	0.8
121.06524	0.6
129.10306	0.6
130.03224	1.7
130.06520	9.3
131.06941	1.0
132.04449	1.1
132.08086	10.3
133.01434	0.8
133.05232	1.5
134.05907	0.6
136.06169	1.5
144.08025	0.6
145.05225	6.6
145.06284	0.6
146.05988	4.0
147.06787	4.2
148.07570	14.2
153.05472	0.8
157.05186	0.7
158.07172	1.9
158.09666	0.7
159.06850	1.1
160.07579	100.0
161.07915	3.7
162.09131	1.9
163.09932	2.1
171.06831	1.2
172.07620	1.3
173.04701	1.3
174.05501	1.7
174.09200	2.0
175.05997	0.5
176.07082	1.0
181.04872	0.6
183.06812	0.8
184.07585	1.9
185.08400	1.3
186.09146	5.1
188.07050	12.0
190.08572	1.1
198.09126	2.3
199.06277	0.8
200.07050	2.2
200.10684	2.6
202.08629	1.9
210.01350	0.6
210.09142	1.4
212.07085	1.0
213.07683	0.9
214.08629	2.9
214.10506	0.4
225.07771	0.7
226.08595	2.3
228.10152	3.4
230.07867	0.6
238.08578	0.7
240.10336	0.5
241.07410	0.9
242.08156	1.0
244.09752	1.9
246.11272	0.5
256.09650	7.5
274.10736	66.9
275.11118	1.2
292.11804	10.6
307.10178	0.6
326.47522	0.7
338.06369	0.6
338.07468	0.7
338.12271	11.1
338.18341	0.8
339.12799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.9703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.2
56.05032	4.5
56.96572	49.3
60.04548	2.5
61.02912	2.8
69.03419	3.1
70.02951	6.6
70.63915	6.7
71.95253	3.6
72.08160	6.2
74.00667	6.4
74.02440	12.1
74.57645	2.4
76.02237	3.0
81.03417	5.0
82.06557	3.8
84.04507	50.8
84.96037	4.3
85.02907	9.9
85.04816	5.8
88.04012	12.5
91.44638	2.5
96.91064	2.5
97.02888	7.9
98.21192	5.7
98.97591	67.4
98.98464	7.6
99.97923	5.9
101.00899	2.8
102.05553	6.1
108.04533	2.6
109.02885	4.2
110.06057	3.0
113.03500	4.1
116.03429	3.0
116.98632	51.1
117.98993	3.7
119.01909	7.8
128.00253	2.6
128.98590	4.8
130.03517	4.1
130.05014	14.3
131.01892	2.6
133.03387	3.2
134.04488	10.0
134.99669	38.0
135.44646	2.6
140.00197	4.3
142.01768	3.5
146.99619	4.0
153.00734	5.6
156.97523	3.7
158.01270	5.7
160.02887	3.7
163.01363	2.7
170.99092	11.2
174.97620	5.5
176.51930	3.5
177.00940	11.8
185.52455	5.4
186.00737	2.9
186.02382	4.3
186.52528	2.8
186.99312	3.5
188.50433	3.0
189.00105	17.5
192.98726	4.8
197.00739	8.2
201.51039	2.9
202.01048	4.0
204.01860	3.3
205.00261	5.4
205.03328	3.6
206.00545	3.7
209.52280	3.6
210.51631	6.6
212.93333	5.3
213.00104	17.4
214.96468	3.6
215.01675	4.8
216.98633	31.1
218.50540	2.9
218.52927	3.9
219.03235	5.5
219.52875	5.5
221.01994	3.8
227.01622	7.9
230.93486	10.4
231.00528	3.0
234.47455	3.2
234.99742	59.9
235.01843	4.1
236.01576	5.4
237.00270	4.6
242.97922	3.9
245.03545	4.2
250.51030	4.7
251.00798	5.4
251.97968	5.0
252.48549	3.3
253.00957	3.6
254.93549	16.6
255.01122	11.4
258.01370	4.3
259.01660	3.5
259.51605	8.8
259.54257	3.3
260.01196	6.2
262.99045	3.5
271.96170	4.0
272.94641	56.6
272.98950	10.2
273.02011	6.1
273.51746	9.7
274.02567	4.3
274.48840	4.5
280.05698	3.3
281.52576	4.3
282.02689	17.1
282.52475	8.9
283.02304	5.1
283.47934	5.0
283.51437	7.0
284.01074	4.3
286.52216	9.9
287.02051	3.1
290.92178	5.3
290.95349	23.3
292.52206	25.2
292.95367	3.5
293.01822	16.7
294.12976	6.6
295.96274	7.5
296.02921	4.6
296.94806	11.4
297.02307	6.1
301.03214	3.9
301.52765	13.6
302.02667	6.2
303.98532	6.5
304.44910	3.1
306.02582	10.3
306.52429	10.3
307.01361	4.6
309.03293	3.3
309.52991	6.1
312.45844	4.9
313.97855	11.1
314.53500	7.4
314.95630	55.9
314.99969	10.0
315.03210	100.0
315.53030	86.3
316.03064	17.4
320.44553	3.7
323.46976	5.2
323.96616	5.3
324.03683	10.3
324.44833	6.1
324.53494	9.5
328.53848	6.4
329.03412	12.7
329.52942	5.5
331.98584	4.1
332.43741	5.0
332.96408	8.8
333.04520	5.5
333.25397	3.3
333.44714	3.2
334.97482	3.4
335.47098	4.8
337.54306	39.9
337.94019	3.9
338.04077	48.7
338.11893	6.1
338.54254	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	337.2736
Annotation	Subamolide C
Peak:m/z	Relative Intensity
51.30789	1.0
53.03927	2.6
53.44882	1.1
55.01858	1.2
55.05511	38.3
57.03193	1.7
57.03439	21.9
57.07082	5.4
61.14806	1.2
65.03921	3.6
67.05503	78.2
69.07067	45.7
69.36462	5.5
69.36887	3.3
71.04974	3.6
71.08617	2.8
79.05495	20.3
81.07057	77.1
82.07382	1.6
83.04971	2.2
83.08618	19.1
83.32522	1.0
85.06532	2.9
91.05481	13.4
93.07048	20.0
95.04958	1.6
95.08604	53.6
96.08975	1.2
97.06516	4.5
97.10186	9.6
98.21525	1.9
99.08062	2.3
105.07029	9.7
107.08598	10.9
109.06509	1.4
109.10152	21.2
111.08101	1.6
111.11721	1.9
119.08564	7.9
121.10129	8.0
123.08020	1.5
123.11691	8.3
125.09617	1.8
133.10121	7.7
135.11731	6.6
137.13231	2.9
139.11124	1.4
147.11729	5.4
149.13239	3.2
151.11150	1.1
151.14809	1.5
153.12738	1.4
161.13248	3.6
163.14847	2.3
165.12764	1.6
166.13120	1.4
175.14833	3.9
239.44073	1.0
245.22729	1.3
260.75143	1.1
261.32806	1.2
263.23669	3.7
337.27347	100.0
338.27725	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	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03938	2.8
55.01864	2.6
55.05514	31.5
57.03440	23.7
57.07077	5.0
57.99662	0.8
65.03933	3.2
67.05506	82.0
68.05827	3.5
69.03425	1.0
69.07070	41.6
69.42783	0.9
70.07409	1.6
70.88307	1.6
71.04984	1.8
71.08614	1.8
79.05491	23.3
80.05844	1.5
81.07059	76.4
82.07378	3.9
83.04984	2.5
83.08626	19.7
85.06541	2.3
91.05489	14.5
93.07054	21.6
94.07368	3.1
95.04970	2.3
95.08608	54.6
96.08893	1.5
97.06531	5.0
97.10177	10.6
98.21126	1.0
99.08097	2.1
105.07024	12.0
107.08599	10.9
109.06512	1.2
109.10159	20.8
111.08082	2.5
111.11731	2.6
113.09664	1.0
119.08582	7.9
121.10141	9.8
123.08078	2.3
123.10876	1.7
123.11698	9.1
125.09657	1.1
131.08514	1.5
133.10132	6.2
135.11694	4.0
137.09686	0.9
137.13248	3.0
147.10678	1.2
147.11653	5.3
149.13290	4.1
150.13676	0.9
151.11179	1.1
151.14790	1.3
153.12767	1.0
159.11673	1.3
159.20036	1.1
161.13252	4.4
163.14873	2.2
165.16367	1.2
166.13187	1.2
167.13419	1.2
175.14809	3.0
189.16478	2.1
214.21788	0.8
215.85153	1.0
245.22797	1.3
263.23706	3.2
291.19608	1.0
337.27332	100.0
338.27631	2.5
348.86139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.6
55.05507	24.1
57.07072	7.7
63.82759	5.4
67.05503	41.5
68.12112	5.4
69.07066	46.8
71.05000	26.9
71.08620	5.5
71.41618	12.8
74.20273	5.2
79.05492	23.7
81.07063	76.1
83.08614	18.5
91.05475	35.6
93.07048	51.7
95.04967	26.6
95.08609	100.0
97.06534	9.3
97.10170	8.3
98.21165	5.4
100.78342	4.7
105.07038	68.1
107.08597	56.8
109.06538	11.1
109.10154	31.2
111.08058	6.2
117.07015	16.3
119.08592	84.4
121.10146	84.8
123.08078	14.9
123.11716	65.9
129.06984	9.3
130.07709	6.4
131.08568	48.3
133.10127	39.1
135.08064	29.3
135.11713	13.4
142.07791	17.1
143.08548	33.9
144.09334	7.2
145.10129	50.8
147.08057	8.3
147.11702	23.3
149.13286	8.5
155.08551	20.2
156.09375	11.5
157.10139	67.3
159.11693	30.6
161.09605	26.4
161.13194	7.2
163.11131	6.8
167.08601	9.0
169.10132	26.1
171.11732	27.0
173.13286	22.3
175.14842	15.9
177.16371	10.3
179.08423	6.5
181.10098	9.9
182.10901	8.3
183.11717	28.4
185.13341	16.5
187.14809	7.7
189.16518	7.2
193.10095	6.0
194.10780	8.1
195.11601	18.0
196.12279	5.1
197.13242	50.1
199.14853	13.3
201.16388	10.5
209.13301	15.1
211.14818	14.7
213.12711	5.8
213.16402	8.5
215.14343	16.7
223.14935	14.3
225.16408	9.7
239.17975	13.7
253.19524	9.2
263.17984	9.9
279.21106	21.7
281.19009	14.1
319.24228	9.4
337.24936	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.3
55.01880	20.2
55.05514	22.2
55.89933	2.7
56.96556	9.8
57.03439	72.3
57.07076	4.6
62.23511	2.2
65.03935	4.8
67.05177	5.5
67.05507	71.8
69.03418	9.9
69.06783	2.5
69.07069	28.4
71.05000	19.3
71.57976	5.1
76.09555	2.4
77.65676	2.4
79.05061	5.0
79.05494	81.2
79.05955	4.3
81.03426	13.8
81.07057	81.4
82.19424	2.5
83.04988	20.7
83.08602	10.6
84.04488	6.6
84.08133	3.7
85.06551	22.4
91.05481	84.7
93.06483	3.7
93.07047	64.7
95.04441	4.0
95.04978	50.8
95.08604	40.9
97.06545	20.4
97.10152	5.0
98.97584	6.3
99.08098	8.4
103.03941	5.3
103.05457	4.2
105.07032	62.5
107.04958	30.5
107.08590	42.4
109.06522	46.3
109.10156	18.7
111.04395	5.1
111.08080	4.8
113.06004	58.7
115.05453	9.0
116.98629	6.5
117.07004	34.0
119.04945	3.8
119.08579	63.5
121.06503	22.4
121.10147	27.8
123.08104	21.4
123.11711	2.9
125.05987	8.5
127.07503	3.9
128.06194	11.9
129.05472	8.2
129.07007	40.8
129.10284	3.1
130.06456	3.3
130.07759	4.1
131.07068	5.6
131.08571	34.9
133.06471	10.5
133.10135	40.7
134.99663	2.9
135.08047	56.1
135.11667	8.4
137.05984	4.7
137.09663	15.8
139.07547	4.1
141.06970	5.2
141.09094	3.7
142.07790	7.2
143.08588	30.7
145.06451	6.2
145.10135	34.2
147.08047	34.0
147.11691	16.0
149.06032	4.4
149.09630	26.9
151.07520	7.8
151.11208	6.0
153.07018	4.0
153.09079	4.7
153.32848	2.5
155.08510	8.6
156.09349	2.8
157.10129	21.8
159.08061	8.8
159.11685	9.8
161.01225	7.8
161.09615	34.4
161.13225	6.2
163.07590	4.5
163.11143	13.6
165.09146	12.7
167.08504	6.5
169.10150	8.7
171.08110	3.2
171.11652	29.5
173.09599	10.4
173.13168	5.3
175.11183	10.1
175.14825	4.6
177.09047	4.1
179.10536	3.5
181.10114	3.9
183.10152	24.3
183.11688	6.3
185.01262	5.7
185.09575	6.9
185.13264	8.1
187.11136	5.8
189.12761	21.4
191.10730	6.0
191.14207	4.2
193.12329	3.9
198.10535	3.0
199.14815	28.4
201.12653	2.8
203.14304	4.7
203.90849	2.8
209.13249	7.8
217.15869	24.1
219.01729	4.0
219.45792	2.8
223.13429	3.4
227.14293	28.1
235.16876	5.3
242.05702	6.6
245.15381	73.6
263.16446	19.0
270.05316	6.0
277.08539	3.6
285.07565	52.3
286.07898	15.0
288.12531	2.9
305.07986	6.0
319.19092	12.1
334.70462	3.4
337.11044	12.6
337.20068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48808	3.2
53.03944	8.9
53.38507	3.5
55.01860	19.3
55.05512	23.6
55.83707	3.7
57.03183	6.6
57.03438	79.5
65.03960	5.0
67.05505	59.6
69.03435	8.2
69.07077	24.4
69.82058	16.9
70.06586	6.5
71.05009	17.8
79.05493	85.2
81.03416	12.5
81.07055	77.6
83.04990	24.9
83.08600	9.6
84.04478	4.0
85.06535	12.2
89.95899	4.0
91.05480	100.0
93.07051	68.2
95.04977	33.3
95.08614	40.7
97.06547	25.4
99.08080	10.0
103.03941	9.6
103.05456	6.9
105.07025	69.0
107.04949	29.8
107.08598	30.9
109.06516	48.4
109.10104	7.8
111.04411	5.2
111.08093	6.8
113.05998	41.8
114.76065	3.5
115.05421	7.2
117.07030	35.0
119.08581	55.3
121.06492	28.0
121.10133	24.6
123.08073	25.7
125.05960	7.2
127.03925	3.8
127.07537	5.4
128.06213	11.8
129.05438	11.3
129.06999	43.5
130.06580	5.5
130.07693	3.2
131.07001	4.4
131.08556	44.5
133.06477	14.4
133.10127	37.0
135.08054	53.3
135.11678	9.9
137.06004	6.6
137.09608	7.7
139.07570	4.5
142.07814	6.9
143.07060	4.7
143.07536	4.6
143.08559	33.7
145.06474	6.8
145.10120	32.6
147.08064	34.6
147.11678	13.1
149.09634	45.3
151.07538	8.3
151.11215	5.3
155.08586	9.8
157.06476	4.1
157.10133	29.2
159.08037	7.4
159.11699	9.8
160.08684	3.7
161.09595	29.9
161.13287	10.5
163.11171	13.7
165.09070	9.1
167.08594	4.0
168.09438	3.9
169.10065	9.3
171.11702	37.8
173.09618	15.4
173.13252	4.9
175.11206	15.6
175.14752	5.4
177.09068	4.9
177.12849	4.9
183.10208	8.4
183.11644	5.9
185.09613	8.0
185.13264	9.0
187.11192	10.8
189.12732	32.1
191.10680	8.4
199.14760	31.9
202.35493	4.4
203.14281	7.9
205.12244	5.0
209.13354	4.0
217.15897	26.2
227.14331	24.9
245.15367	83.6
263.16437	23.8
319.18945	15.7
337.10791	11.3
337.14249	8.2
337.15714	5.8
337.20078	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.1
55.01869	10.6
55.05516	27.8
57.03440	21.8
62.61082	2.2
65.03944	4.0
67.05505	50.7
67.45688	2.2
69.03426	7.8
69.07070	32.0
70.06609	4.0
70.95885	3.0
71.04986	7.7
71.57301	2.3
72.08139	3.2
73.06544	3.0
79.05493	66.3
81.03415	3.7
81.07059	53.5
83.04974	7.2
83.08617	13.5
84.04486	3.2
85.02890	2.7
85.06541	9.5
86.09626	2.7
91.05485	91.6
93.07041	54.4
95.04990	21.6
95.08607	22.3
97.06548	18.8
97.10223	2.4
101.04243	6.9
103.05474	5.7
105.03387	3.1
105.07030	61.9
107.04978	13.9
107.08591	24.0
109.06504	21.3
109.10162	6.6
111.08083	7.1
113.06023	6.7
115.05489	10.8
116.06255	4.0
117.07015	27.5
119.04889	3.3
119.08577	53.3
121.06503	17.3
121.10130	12.1
123.08074	15.9
125.05975	4.2
125.09641	2.7
126.17579	2.3
128.06210	30.4
129.05545	5.2
129.07010	37.2
130.05003	5.1
130.07816	3.7
131.08572	63.6
131.09526	4.9
133.06505	20.7
133.10129	22.0
135.08058	34.0
135.11665	2.9
137.09625	6.6
139.07582	5.2
141.07004	8.3
142.07784	13.0
143.08554	100.0
145.06490	8.7
145.10121	31.9
147.08058	36.5
147.11664	6.4
149.09633	21.0
151.07570	5.9
153.06975	2.8
154.07689	2.9
155.08540	13.5
156.09343	3.6
157.10135	31.0
159.08041	7.8
159.11697	7.6
160.04294	2.6
161.09627	29.0
163.07474	4.0
163.14940	2.3
165.07080	5.1
166.07805	3.2
167.08499	13.2
168.09348	4.7
169.10182	8.6
171.08063	8.6
171.11713	8.8
173.09624	10.0
175.09705	2.9
175.11153	4.8
175.14832	2.8
178.03281	4.3
179.08563	2.5
181.10149	10.5
183.11670	11.5
185.09621	8.9
185.13277	11.2
189.12807	4.5
191.10620	2.4
194.10832	3.7
199.11311	3.1
199.14819	31.6
203.10658	5.5
209.13264	22.3
217.15822	6.4
227.14323	29.0
241.08624	3.2
245.15445	26.4
263.06848	2.5
267.03348	2.5
277.08859	3.1
290.05716	3.6
305.08023	5.3
315.04950	2.6
319.19150	16.5
337.10583	8.9
337.14343	11.5
337.20383	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48166	1.0
55.18200	1.2
57.03418	1.3
58.47752	1.0
66.92684	1.0
67.05517	1.0
69.07063	2.7
70.06590	2.1
70.09992	4.0
71.04986	1.4
73.13692	1.1
79.05482	3.3
81.07037	1.7
84.04507	1.3
84.08140	2.0
86.09709	24.0
87.02689	6.3
89.33259	1.1
91.05469	4.2
95.05032	1.2
95.08614	1.2
98.21012	3.0
100.07639	1.4
100.11237	1.6
105.07012	1.4
109.06558	1.6
111.04491	1.4
117.05795	1.3
119.04933	2.8
120.08101	3.2
121.06517	2.2
121.08440	1.6
123.04422	3.1
128.07056	2.3
128.10732	11.7
129.10260	1.6
130.06534	100.0
131.06882	1.4
131.08546	1.3
135.08034	1.5
136.07587	9.8
145.31436	1.1
147.04387	1.7
156.10190	1.7
159.07990	1.3
160.07603	3.6
161.09555	1.7
162.05560	2.0
165.05470	8.6
177.06630	2.5
178.06898	4.1
178.08566	2.4
182.08142	10.2
210.14955	2.7
233.99731	2.2
234.06956	1.2
245.15414	2.2
294.11755	2.7
305.07947	1.3
306.09647	5.5
322.08163	1.4
337.07187	2.8
337.10782	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.6
55.01881	13.0
55.05510	11.3
57.03440	21.6
62.01406	2.3
65.03924	2.5
65.92673	2.0
67.05164	3.8
67.05508	42.4
69.03429	13.3
69.07074	100.0
69.07453	4.8
70.76237	4.6
70.76576	3.8
71.04984	4.2
73.06573	3.4
79.05496	77.9
81.03430	15.2
81.07067	47.9
83.04972	6.9
83.08607	3.8
91.04964	3.4
91.05487	52.9
93.07057	46.3
95.01336	2.5
95.04980	11.0
95.08613	32.3
97.02907	22.1
97.06528	17.1
98.20950	2.7
103.03946	6.0
105.07036	25.4
107.04965	21.2
107.08597	22.1
109.06522	8.9
109.10154	12.3
111.04463	2.7
111.08117	3.1
115.05480	2.2
117.07014	12.3
119.03426	7.1
119.07787	2.8
119.08591	35.1
121.06503	20.9
121.10146	32.7
123.08054	15.0
125.05959	3.6
128.06253	3.2
129.07031	9.7
131.08582	29.7
133.06473	5.6
133.10150	16.3
135.08060	11.7
137.09637	6.9
137.15323	2.0
139.07582	3.0
139.49004	2.0
143.07059	17.5
143.08546	9.3
145.10159	5.5
147.08080	13.2
147.11674	6.9
149.05992	7.3
149.09615	23.5
151.07553	8.0
151.11176	2.4
157.10146	8.8
159.11755	4.0
161.08047	3.6
161.09631	5.2
165.09155	5.1
167.07089	3.3
171.11612	2.8
173.13266	3.1
175.14810	2.4
177.09084	5.5
183.10188	8.7
189.16382	7.9
195.10217	5.3
199.14821	10.8
201.16464	2.6
209.13161	2.2
217.15883	10.4
227.14346	4.3
239.12735	4.8
241.08653	2.2
245.15407	9.3
319.19089	3.6
337.20184	43.3
338.20605	2.3
348.37384	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	100.0
57.03483	2.0
61.02920	3.1
66.92489	1.9
67.75201	1.8
70.05212	4.5
70.05570	5.0
70.06593	4.3
70.98124	52.2
71.95258	7.2
74.97608	2.9
84.19405	2.3
84.96042	9.8
85.02935	2.6
86.09713	4.7
88.99154	27.0
94.93017	4.0
98.21130	4.9
98.97583	89.9
101.00872	5.9
107.00188	5.9
110.97566	27.0
112.99139	4.9
115.02403	3.4
116.98624	45.4
119.01899	5.9
124.95505	12.7
128.98618	46.5
131.00174	9.8
132.10179	2.4
133.03473	15.8
134.99640	16.2
140.98604	5.1
142.96506	14.7
143.00175	3.0
143.01881	5.0
144.98042	2.1
146.99638	47.2
149.01212	5.6
152.94962	4.1
153.04016	2.2
156.98123	5.4
158.99657	9.2
160.97626	3.0
165.00745	27.5
170.96034	22.3
170.99640	5.7
172.97595	4.5
173.01509	1.9
173.02989	11.6
174.99158	15.0
177.00720	5.5
184.97589	13.8
186.99139	4.9
188.97083	50.1
189.00702	28.8
190.98581	5.1
191.02487	3.5
191.04051	6.9
193.00211	13.5
202.98647	23.3
203.02492	2.1
205.00223	11.7
206.98135	18.7
207.01733	20.3
212.97107	8.8
214.98538	3.9
215.05040	3.2
217.00232	8.3
219.01917	7.7
220.99675	14.8
223.01288	7.8
224.02603	4.3
224.99060	2.8
227.04095	3.8
230.98138	47.4
232.99664	5.3
235.01297	10.3
239.00681	2.9
244.99718	33.2
247.01291	2.8
248.99219	18.0
249.02925	3.9
251.06087	5.0
263.00760	76.4
267.03897	3.7
277.02353	27.5
277.05661	3.5
281.01907	9.6
295.03363	7.5
295.06726	3.1
302.88934	2.1
305.01752	5.7
319.01031	4.2
337.05112	4.2
337.08871	62.6
355.15170	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	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
58.96822	1.8
60.87336	2.0
61.26263	2.1
70.19438	8.1
94.93017	100.0
96.92868	2.3
98.21407	2.4
98.97620	2.2
101.00878	5.1
103.02462	2.5
110.97479	2.2
119.01929	6.3
127.02446	3.5
131.01900	8.6
133.03473	4.7
139.91470	4.6
145.03477	11.8
149.93515	4.1
150.91966	2.3
155.01910	5.2
157.03461	5.6
165.00691	2.7
171.01393	3.0
173.02980	9.2
174.99135	6.4
175.04535	3.4
189.02394	5.1
193.00212	5.2
201.02461	3.7
202.00368	2.2
209.03772	2.7
217.00137	3.8
217.01935	21.6
220.97166	3.8
221.95659	16.6
229.02000	4.7
235.03032	8.4
235.90259	2.3
236.04195	5.2
247.03076	2.6
259.60840	2.5
295.08847	3.1
300.99899	9.1
319.00931	34.6
319.08606	2.4
331.53561	2.7
337.02469	17.0
337.08740	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	19.6
58.23947	1.4
69.41703	6.6
69.42129	5.6
70.98106	2.1
80.17567	1.7
82.99836	2.3
84.96027	1.9
85.01421	2.3
94.92999	6.8
94.99828	1.9
98.20904	5.1
98.97585	15.2
101.00877	16.8
103.02451	9.5
110.97582	8.8
113.00851	6.2
115.02418	2.8
116.98597	6.8
119.01910	23.7
121.03457	4.5
127.02426	15.3
128.98592	10.5
129.03987	1.8
131.01904	32.5
133.03487	10.2
137.02885	2.3
139.02396	3.2
143.01859	2.5
145.03471	57.5
146.99667	7.1
147.01381	2.9
149.02950	4.7
151.04568	4.0
155.01895	18.9
156.98077	19.2
157.03484	26.8
159.05086	2.0
161.02953	5.6
162.69998	1.5
163.03972	2.8
165.00778	2.2
167.01836	2.3
170.99672	2.8
171.01370	9.4
173.02962	39.9
174.99150	100.0
175.04482	5.9
177.00667	1.6
183.01358	5.0
185.02948	7.4
187.04539	3.2
188.97101	2.4
189.00739	5.0
189.02435	9.0
189.05879	1.6
191.02394	1.9
191.03998	3.7
193.00220	77.4
196.04572	1.7
199.00917	5.0
201.02347	5.1
201.06108	2.3
203.03995	2.9
207.01730	3.7
209.03827	2.9
211.01237	4.3
211.04442	3.2
217.00140	54.1
217.01955	84.3
217.05354	3.4
218.02165	2.9
221.02881	4.1
221.04915	2.3
228.72267	1.4
229.00107	2.2
229.01978	33.5
235.01173	18.4
235.03018	27.1
237.02861	2.5
239.06117	2.5
247.01146	9.0
247.03365	14.0
253.04268	1.6
257.05179	1.5
263.00708	3.0
264.65295	1.6
277.02036	3.9
277.07541	2.7
295.08698	5.7
319.00940	2.7
319.05029	2.1
337.04904	5.2
337.09564	4.9
337.10492	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41663	0.9
56.96565	18.7
70.74091	3.1
70.98102	1.7
84.96033	1.6
85.01418	2.2
88.99157	0.8
89.03924	0.9
94.92466	1.0
94.93015	5.2
98.97595	14.4
98.98207	1.8
100.66152	0.9
101.00890	9.1
103.02454	4.9
110.97575	10.7
111.10236	1.0
113.00867	4.0
116.98628	5.3
119.01931	12.6
121.03500	2.6
127.02424	8.0
128.13443	0.8
128.98618	10.6
129.03911	1.1
131.01915	17.3
133.03447	6.7
134.99632	0.9
139.79718	0.9
143.01917	2.3
145.03465	31.8
146.99664	7.2
147.05081	1.2
149.02946	1.9
151.04529	1.1
155.01880	10.7
156.98082	21.4
157.03474	14.8
158.99629	2.7
159.05119	1.0
161.02950	3.4
163.04468	2.0
164.93407	1.0
165.00763	1.5
167.01862	1.7
170.99844	1.9
171.01379	6.2
171.04973	1.0
173.02968	26.4
174.99153	100.0
175.04517	5.3
185.02925	4.7
186.12202	1.0
187.04491	2.4
188.97076	1.9
189.00696	4.6
189.02444	6.8
191.04002	1.5
193.00215	89.1
198.00751	2.6
199.00937	3.9
201.02379	3.3
201.06015	1.3
202.98598	1.1
207.01755	2.6
211.01164	4.1
211.04509	1.8
216.01677	1.3
217.00166	56.0
217.01979	42.6
218.92825	1.3
220.99785	1.2
229.00108	2.9
229.02007	16.7
230.98059	1.8
235.01221	21.6
235.03078	11.9
237.02812	1.4
244.99831	1.1
247.00945	15.2
247.03111	5.5
255.03874	1.4
263.00797	2.5
265.02213	2.0
275.06277	1.2
277.02057	6.0
277.07541	2.5
295.08752	4.1
301.23575	1.0
319.00854	2.0
319.04767	1.7
337.04581	5.7
337.09021	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	337.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67731	2.2
56.96565	97.2
57.68909	2.3
58.75663	2.1
70.37634	9.5
70.98119	55.2
71.09127	2.9
71.95271	8.6
72.96037	2.5
74.97603	4.3
82.06576	2.8
84.96025	7.1
88.99170	23.6
97.59803	2.4
98.20793	3.4
98.97585	100.0
107.00194	6.0
110.97579	37.8
112.99100	3.5
116.98608	48.5
124.95503	18.9
126.82157	2.5
126.97086	3.1
128.98605	52.7
131.00179	7.1
133.01744	2.7
134.99670	18.6
140.98596	9.7
142.96526	18.8
145.01778	3.7
146.99649	64.2
152.94902	6.6
156.98022	3.7
158.99646	9.7
160.97626	6.7
165.00714	28.6
170.96011	22.3
170.99686	4.4
172.97620	4.2
174.99158	17.7
177.00835	7.0
184.97578	18.4
186.99161	5.0
188.97081	53.5
189.00696	36.5
190.98686	4.4
191.02226	4.8
193.00241	16.3
202.98659	26.4
205.00145	16.3
206.98157	23.6
207.01770	28.7
212.97108	15.6
217.00212	16.9
218.98065	2.5
219.01939	10.6
220.99666	18.9
223.01282	10.3
230.98125	55.0
232.99628	5.0
234.01099	2.8
235.01146	14.5
244.99681	46.2
247.01300	5.1
248.99272	21.4
249.02824	7.7
263.00751	95.2
267.04019	3.4
277.02316	37.9
281.01831	10.0
286.02377	3.5
295.03424	11.4
295.06573	2.7
305.01837	6.2
332.10385	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	336.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01873	3.1
55.05514	16.3
57.03435	1.3
57.07074	0.9
57.58786	0.3
59.04980	0.3
60.08164	3.2
65.03934	1.3
65.17437	0.2
67.05506	42.5
68.05875	0.3
69.03425	0.5
69.07069	12.4
70.83075	0.5
70.83445	0.6
71.04996	2.1
71.07373	0.3
71.08628	0.4
73.02915	7.1
77.03910	0.4
79.05494	33.9
81.03432	0.5
81.07057	29.2
83.04987	1.7
83.08627	6.6
85.06554	1.0
86.09720	1.2
87.04459	0.5
90.45026	0.2
91.05481	17.5
93.07046	33.1
95.04960	3.0
95.08608	21.5
97.06524	1.3
97.10176	1.1
99.04455	14.9
99.08089	1.6
101.06041	0.3
103.05475	0.3
105.04546	0.8
105.07030	10.5
107.08599	13.2
109.06526	1.0
109.10155	7.7
111.08061	0.5
113.06020	0.9
115.58066	0.3
117.07023	3.4
119.08575	6.4
121.10145	10.6
123.08080	1.2
123.11722	1.4
125.06005	0.5
125.09624	0.8
129.07048	0.9
131.08563	4.1
133.10127	5.3
135.08041	0.7
135.11690	4.1
137.09641	0.6
139.07579	0.3
139.11142	0.3
143.08580	0.7
145.10129	3.6
147.08078	0.3
147.11705	2.7
149.09654	0.4
149.13264	2.1
153.09138	0.6
155.10698	0.8
157.10121	0.4
159.11690	1.9
161.13306	0.6
163.11143	0.6
163.14841	0.5
165.12737	0.3
167.10750	0.3
171.11728	1.0
173.13315	1.4
181.12218	0.5
185.13205	0.3
195.13832	0.9
215.17934	1.0
234.44337	0.3
275.62454	0.3
277.21625	100.0
278.22009	2.0
336.28958	89.1
337.29352	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1916
Annotation	Ile Gly Phe
Peak:m/z	Relative Intensity
50.49729	0.4
55.05519	0.3
56.05024	1.0
57.03427	0.5
57.05811	0.6
58.06594	0.6
67.05509	0.5
69.03418	0.4
69.07067	12.7
69.62777	0.4
70.06579	2.4
71.57926	0.5
72.08160	0.9
77.72889	0.3
79.05478	0.7
81.07027	0.4
84.04514	1.0
84.08125	1.5
86.09703	100.0
87.10045	0.7
93.07024	0.8
101.04194	0.4
103.05456	0.8
109.06538	0.4
116.07102	0.5
120.08105	30.1
129.10310	0.7
131.05000	0.4
136.06198	0.6
143.11786	3.2
146.05954	0.4
149.06001	0.6
152.05685	3.6
153.04066	0.7
166.08636	20.9
171.11290	10.3
177.10219	3.8
184.81792	0.4
205.09642	0.5
223.10760	15.3
223.12857	0.9
227.64427	0.4
268.59244	0.4
274.16611	0.7
291.17072	0.5
331.49695	0.4
336.10651	0.6
336.19107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1917
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
69.07054	0.8
70.06588	1.5
71.20684	0.9
79.05531	0.7
79.88550	0.7
84.08130	0.8
86.09706	100.0
93.07022	0.9
103.05451	4.2
103.98208	0.7
107.04977	0.9
120.08107	72.1
121.08492	0.7
130.06526	6.0
131.04941	1.5
132.04424	0.8
132.08177	1.7
132.10138	1.0
143.11800	82.7
145.05226	1.0
146.06004	5.5
149.05994	1.0
160.07582	15.5
161.69089	0.7
166.08640	34.3
167.09077	0.7
170.06120	0.8
171.11296	18.0
177.10245	6.6
185.02025	1.0
205.09752	1.9
279.17194	0.8
286.07208	0.9
313.16125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1079
Annotation	Neoascorbigen
Peak:m/z	Relative Intensity
51.30354	0.3
53.03926	0.4
55.01850	0.3
55.05498	0.4
67.05475	0.4
68.39396	0.3
69.03421	0.4
69.07064	0.4
70.06591	0.6
70.08780	0.3
70.53738	0.6
70.54146	0.7
71.15665	0.3
78.28227	0.3
79.05477	0.5
84.08126	0.3
86.12384	0.3
91.05492	0.8
93.07058	0.5
95.01313	0.5
95.08567	0.3
99.89903	0.3
100.11274	0.7
104.82012	0.3
105.07009	0.6
107.08559	0.3
109.06471	0.4
115.05477	0.7
117.05762	21.7
117.70222	0.3
118.06573	0.5
120.51532	0.3
127.00061	0.3
128.04974	10.0
128.99948	0.3
129.05750	4.6
130.06529	10.8
132.04449	2.5
132.08083	0.8
142.06505	1.0
144.04457	1.2
145.05231	31.5
146.06018	5.6
151.42169	0.3
156.20056	0.3
158.05972	1.5
160.07579	100.0
161.07939	1.2
162.41278	0.3
168.08072	0.5
170.06067	0.7
182.06102	0.3
184.07547	0.7
188.06932	0.3
196.07565	0.5
198.05542	0.9
204.06470	0.3
212.07156	0.4
214.08578	0.3
226.05013	1.0
258.07272	0.4
261.77151	0.3
297.70892	0.3
304.08139	3.1
305.08936	2.3
318.20609	0.5
328.01898	0.4
331.30042	0.3
336.10507	1.9
336.21805	0.4
336.25458	0.4
337.10883	0.4
357.20984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75584	1.1
55.01868	2.0
56.96566	1.0
57.03424	1.3
58.78870	1.0
67.71864	1.2
69.07043	1.1
70.06593	6.0
70.77197	3.0
71.01366	1.4
72.08148	2.2
73.02910	5.8
83.01338	2.3
84.04491	2.5
84.08136	2.7
85.02898	4.3
86.09681	2.0
87.04476	2.2
91.05463	2.4
95.01341	1.5
95.04949	1.2
97.02897	1.7
98.21232	2.0
101.01783	1.9
101.02382	18.9
104.04994	3.3
105.03384	1.6
107.99197	1.1
111.00758	1.3
113.02367	1.9
115.05419	1.4
118.06539	3.1
119.04918	3.2
120.05284	1.3
120.08082	2.9
125.80166	1.3
127.03963	1.5
128.04991	2.9
129.05710	2.0
129.06985	1.7
130.06520	19.7
132.04454	100.0
133.05025	1.6
134.06007	2.6
136.06189	5.8
141.01822	1.9
142.06512	1.8
143.03352	3.3
144.04434	6.8
144.08154	1.3
145.05095	1.3
146.06012	62.5
147.04393	3.8
148.04785	3.7
155.03354	5.3
156.04422	2.8
156.08095	2.6
157.05246	11.1
158.06021	26.2
160.03862	2.1
161.04517	2.0
162.05556	1.3
166.06569	1.6
168.08067	1.4
170.06020	11.1
172.03926	6.2
172.07550	1.4
173.04440	2.4
174.05490	19.0
175.06204	1.3
176.07010	2.4
182.05984	2.5
184.03894	1.2
184.07594	8.4
186.05530	8.8
187.06017	8.2
188.07042	5.2
190.04967	4.7
194.05995	1.5
194.99437	2.8
196.03969	1.3
196.99001	2.1
198.05516	8.1
200.07126	1.7
202.04990	15.9
204.06566	2.7
210.05505	1.2
212.07115	7.1
214.05035	5.9
216.06528	2.5
218.08073	1.1
219.97539	1.3
222.05508	2.1
226.04984	9.0
228.06528	6.8
230.08128	3.2
232.06004	3.0
238.04982	17.6
239.02332	1.2
240.06520	7.2
242.08003	1.3
244.06046	5.3
246.07652	2.0
250.91589	1.2
254.08142	1.7
256.06140	1.5
256.12115	1.3
258.07642	19.1
268.06015	4.7
272.09229	2.2
273.98730	2.8
276.08801	1.7
286.07117	49.3
290.10184	8.8
300.08652	15.4
313.00085	3.4
318.06357	1.9
318.09729	22.7
336.10742	1.9
336.16544	3.6
354.97263	1.2
356.31366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03943	3.4
55.01849	2.0
55.05514	19.4
57.03184	1.6
57.03441	24.4
57.07067	3.8
58.33874	1.0
58.97794	1.1
65.03932	3.2
67.05506	85.2
67.45480	0.9
69.07071	18.0
70.76621	1.7
70.76965	1.9
71.08626	1.2
71.36654	1.0
79.05496	43.9
79.05960	2.4
81.07060	80.0
82.07375	1.1
83.04979	3.6
83.08624	8.9
85.06548	1.3
91.05485	22.4
93.07052	44.5
95.04957	3.2
95.08611	64.4
97.06536	2.2
97.10170	2.6
105.07037	16.4
107.08595	25.6
109.06519	2.9
109.09451	2.0
109.10160	28.9
111.08118	1.1
117.07056	5.3
119.08578	14.7
121.10139	18.6
123.08089	1.8
123.11739	9.9
125.09609	1.2
131.08575	9.1
133.10130	8.2
135.11694	14.5
137.09590	1.2
137.13260	2.3
143.08546	1.1
145.10147	9.4
147.11708	7.9
149.09634	1.4
149.13278	7.4
159.11743	4.9
161.13278	4.1
163.14825	4.4
165.12770	3.6
173.13263	5.7
175.14844	2.7
177.16316	1.5
187.14857	2.0
191.14285	1.1
243.21133	4.5
261.22098	8.8
297.00238	1.1
317.24759	4.5
335.25818	100.0
336.26257	2.4
343.05359	1.0
347.34747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02372	1.0
53.03931	3.1
55.01848	1.2
55.05264	1.2
55.05512	18.7
57.03439	21.2
57.07073	2.0
65.03930	3.5
67.05505	79.3
69.06714	1.5
69.07066	17.0
70.29605	1.2
70.29959	3.1
71.04977	2.9
78.73625	0.9
79.05496	38.7
81.07057	72.5
83.04975	1.9
83.08627	8.8
91.05484	20.3
93.06464	2.0
93.07047	37.9
95.04949	4.3
95.08608	58.3
97.06512	2.3
97.10167	2.7
98.20899	1.5
98.21411	1.3
99.08117	1.1
105.04548	1.1
105.07027	11.7
105.07681	1.3
107.08597	24.5
109.06507	2.3
109.10160	26.1
111.08078	1.7
117.07057	1.2
119.08577	11.9
121.10148	18.9
123.08042	1.3
123.11720	8.0
125.09643	1.1
129.05493	1.9
131.08577	8.2
133.10123	8.7
135.11684	13.3
137.13272	2.4
145.10138	6.5
147.11687	5.1
149.13272	7.6
159.11668	4.2
161.13223	4.9
163.14810	3.8
173.13258	3.9
175.14789	1.8
175.42929	0.9
177.16383	1.2
187.14792	2.2
243.21085	5.1
261.22180	8.1
276.70474	1.0
317.24722	1.9
335.25806	100.0
336.26132	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03930	5.2
55.05515	25.7
57.03189	1.7
57.03439	24.2
57.07066	3.3
65.03918	4.0
65.59076	1.1
67.05507	91.0
69.07068	19.1
70.06064	3.6
71.04963	1.7
71.08614	1.7
79.05495	46.2
81.07059	83.1
83.04975	2.3
83.08204	0.9
83.08625	8.0
85.06505	1.2
91.05482	27.2
93.06472	2.5
93.07051	52.5
95.04970	3.9
95.08611	64.8
97.06507	3.5
97.10164	1.8
98.20961	2.4
99.08039	1.4
105.04592	1.4
105.07027	13.2
107.08596	24.9
109.06524	2.1
109.10156	25.2
111.08065	2.1
117.07001	4.7
119.08587	9.9
121.10151	19.0
123.11701	6.1
129.88519	1.1
131.08533	6.6
133.10136	8.9
135.08105	1.1
135.11688	13.2
137.13252	2.4
144.61029	1.1
145.10109	4.5
147.11681	4.1
149.13260	6.6
151.04181	1.3
159.11702	4.5
161.13278	5.6
163.14790	1.9
165.12747	4.2
173.13228	4.6
175.14803	2.9
187.14812	2.1
225.59782	1.2
227.17859	1.1
243.21060	2.9
261.22141	4.5
317.24741	2.2
335.25797	100.0
336.26236	2.4
358.24561	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
53.03942	1.1
55.01882	4.4
55.05510	10.3
57.03421	3.6
57.07066	2.7
65.03915	1.4
67.05505	22.5
69.03419	1.1
69.06725	1.2
69.07069	16.3
70.98364	2.3
71.04984	1.2
74.14297	0.7
74.47438	0.7
79.05072	0.7
79.05498	12.3
81.07057	29.5
83.04951	1.7
83.08622	6.6
85.06536	1.2
91.05466	7.3
93.07051	15.5
95.04976	9.0
95.08608	19.3
97.06536	6.9
97.10151	1.7
98.21036	1.0
99.08082	1.0
103.37253	0.8
105.07030	10.8
107.08606	10.4
109.06521	62.9
109.10151	7.6
111.08080	1.4
112.60942	0.8
114.39661	0.9
117.07009	1.9
119.08582	7.4
121.06503	3.6
121.10141	7.8
123.08055	2.9
123.11702	3.1
131.08565	3.5
133.10139	5.7
135.08020	2.1
135.11736	3.9
136.80186	0.9
137.13242	1.6
145.10144	3.6
147.11699	5.0
149.09608	2.3
149.13257	3.1
151.11169	1.4
159.11681	2.8
161.13258	2.6
163.11180	2.0
165.12798	6.6
173.13303	1.0
201.16339	1.0
205.15787	0.9
219.17395	1.5
249.18600	1.1
253.11050	0.8
261.18524	2.7
261.22272	1.4
275.23495	1.0
279.19556	13.9
289.25153	1.2
293.21155	1.1
297.39618	0.8
317.24768	9.3
335.25797	100.0
336.26028	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03938	3.8
54.60095	1.0
55.05518	20.8
57.03194	2.5
57.03443	25.0
57.07065	2.0
58.32083	1.1
65.03944	2.8
67.05509	82.7
69.07070	19.4
69.38580	9.1
71.04967	1.3
71.35643	1.3
79.05061	2.3
79.05499	42.0
81.07063	72.2
83.04978	2.7
83.08628	9.0
85.06518	1.7
86.58186	1.2
88.95648	1.3
91.04969	1.5
91.05490	22.0
92.16525	1.3
93.07049	41.6
95.04963	5.3
95.08614	58.7
97.06501	2.8
97.10166	3.1
98.20840	4.6
98.21524	2.3
98.98484	1.1
105.04503	1.8
105.07046	14.1
107.07956	2.0
107.08606	25.1
109.06507	2.7
109.10171	25.4
111.08126	2.2
117.07023	3.5
119.08578	11.6
121.10162	19.1
123.11692	7.5
130.32841	1.2
131.08606	7.7
133.10143	7.2
135.11705	15.3
137.09604	1.5
137.13235	3.0
142.34918	1.4
145.10126	7.5
147.11716	6.0
149.13257	10.4
151.11192	1.6
156.21918	1.1
159.11714	3.9
161.13235	7.6
163.14798	4.3
173.13315	5.3
175.14853	1.7
177.16354	2.1
183.53700	1.1
187.14851	3.3
201.16394	1.6
203.77617	1.1
208.53094	1.1
243.21124	6.2
261.22174	11.3
277.21783	1.5
317.24612	2.1
335.25818	100.0
336.26074	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	3.8
55.01860	2.1
55.05512	19.0
57.03187	1.0
57.03439	16.8
57.07060	3.4
65.03931	3.0
65.42439	0.8
67.05505	68.9
69.03418	1.8
69.06721	1.3
69.07067	17.7
69.15917	0.9
70.21484	3.7
71.08640	1.2
73.06568	0.8
79.05495	41.3
81.07059	66.0
83.04967	2.1
83.08626	7.5
85.06548	2.2
91.04894	0.9
91.05482	20.6
93.07047	47.1
95.04969	6.3
95.08606	49.2
97.06516	3.7
97.10156	3.8
98.21287	1.1
99.08086	1.7
105.06380	1.2
105.07035	15.7
107.08596	25.0
109.06532	7.7
109.10154	22.1
111.08056	1.6
112.35451	0.9
117.07008	4.2
119.08573	12.1
121.10152	20.9
121.11012	1.4
123.08028	1.4
123.11703	7.4
131.08571	7.6
133.10123	9.5
135.11694	13.5
137.13260	1.7
145.10100	7.5
147.11667	7.1
149.13316	6.6
159.11673	5.7
161.13255	5.6
163.14798	4.3
165.12750	11.4
171.11702	0.8
173.13242	5.1
175.14796	1.9
177.16394	1.5
187.14789	2.2
201.16389	1.0
219.17430	1.0
243.21069	3.3
247.54639	0.9
251.11473	0.9
261.22202	9.0
279.19724	1.1
289.25101	1.6
313.00891	0.9
317.24826	6.6
335.25809	100.0
336.26129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03938	5.0
55.05513	24.4
55.52939	1.7
57.03441	23.5
57.07071	3.2
61.28299	1.6
61.56141	1.6
65.03925	2.6
67.05506	93.2
69.07067	20.0
71.04982	1.9
71.11472	1.8
73.49091	1.5
78.47646	1.6
79.05496	42.2
81.07059	81.2
83.05000	2.1
83.08645	9.7
85.06540	2.5
91.05476	23.5
93.07046	52.6
95.04955	4.3
95.08609	69.1
97.06540	3.9
97.10175	2.1
98.20844	7.8
98.21537	2.3
105.07024	14.6
107.08602	27.6
109.06502	2.8
109.10161	24.2
111.40505	2.0
116.73242	1.8
117.07037	5.0
119.08581	15.0
121.10155	21.0
123.08076	2.5
123.11715	11.0
131.08549	9.1
133.10126	7.8
135.11681	19.8
136.62762	1.8
137.13280	4.3
145.10138	7.5
147.11682	6.9
149.13216	5.4
159.11705	5.1
161.13306	5.3
163.14807	5.0
165.12793	2.8
173.13287	4.8
243.21127	2.8
261.22171	10.1
315.58636	1.7
317.24768	2.8
335.25818	100.0
336.26190	2.2
359.23987	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.01867	5.6
55.05499	5.8
57.03442	15.7
57.07077	2.5
61.25291	1.4
67.05503	9.9
69.03425	2.8
69.07071	58.1
70.06596	7.4
71.04995	1.3
71.06889	1.7
71.42251	2.6
73.02936	1.7
73.06555	2.7
79.05494	49.5
81.00110	1.2
81.03432	7.0
81.07056	22.6
83.04984	2.5
83.08643	1.6
84.08139	1.5
88.07622	4.3
89.07967	1.5
91.05478	23.5
93.07049	9.3
95.04953	4.6
95.08593	4.6
97.06535	21.2
104.06231	1.6
105.07040	10.3
107.04931	3.7
107.08593	12.8
108.54833	1.3
109.06510	7.9
109.10141	1.8
114.09158	2.6
115.05463	2.3
115.07567	1.9
117.07021	13.8
119.04948	5.3
119.08585	100.0
120.08910	2.3
121.06536	2.2
121.10126	2.2
123.08015	2.5
125.05995	10.6
128.06207	2.2
129.05502	2.9
129.06998	9.6
131.08575	14.2
132.10211	9.6
133.06496	7.8
133.10266	3.9
135.08058	15.9
137.06062	1.3
137.09633	3.9
141.06987	10.9
142.07770	1.8
143.07025	43.7
143.08516	7.6
144.05725	2.0
145.06505	3.3
145.10144	14.9
147.08044	27.9
147.11688	1.4
149.09573	1.6
153.09071	2.9
155.08553	4.5
157.10141	16.2
159.08060	38.1
159.11700	14.6
160.12469	7.5
161.08080	8.9
161.09613	4.7
161.13211	1.6
163.07510	5.8
167.08589	1.8
168.09361	5.9
169.10121	16.8
171.11676	6.8
173.09590	3.2
173.13240	3.0
175.07494	6.9
176.12735	1.8
177.13026	1.7
181.10194	1.4
183.11691	5.6
185.09677	1.8
187.11172	3.6
187.14749	3.8
189.12764	1.6
190.10773	1.4
196.08855	2.3
197.13258	21.1
199.11171	5.7
199.14870	3.5
209.13139	1.2
214.09921	1.3
215.10799	2.3
215.14340	22.4
217.12270	1.6
225.12767	7.7
228.23518	1.2
229.23538	3.0
231.13696	1.4
237.16786	2.4
243.10117	1.7
243.13817	19.1
261.14825	3.3
317.13721	2.0
317.17468	2.8
335.14700	4.7
335.18518	53.2
335.23776	6.1
335.29843	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53310	0.4
53.03918	1.0
55.05490	1.3
56.05012	0.4
57.03413	0.6
67.05506	3.2
69.03410	1.3
69.07040	1.4
70.06559	1.2
71.58271	0.5
72.08137	0.5
78.12945	0.4
79.05492	3.5
81.03407	0.9
81.07057	3.7
83.04967	0.6
83.08607	0.4
83.26892	0.4
84.04493	0.6
84.08131	0.9
85.02893	0.5
86.09676	0.7
91.05476	12.4
93.07037	2.9
95.04956	1.4
95.08582	2.1
97.06522	0.5
103.05466	1.1
105.07028	22.0
107.08598	1.7
109.02876	0.7
109.06527	0.8
109.10119	1.0
115.05426	2.2
116.06237	1.9
117.07019	12.8
119.08585	5.9
120.08095	0.6
121.06511	1.0
121.10175	0.8
126.12704	0.5
128.06212	3.0
128.96228	0.4
129.07022	8.3
130.04999	0.5
130.06612	0.4
130.07791	12.9
131.08568	43.9
132.08922	0.5
133.10156	2.1
135.08064	0.5
136.06183	1.7
137.05937	0.5
141.06981	0.7
142.07780	1.0
143.08557	12.4
144.09369	3.7
145.10123	100.0
146.06046	0.6
146.10606	1.7
147.08040	0.6
147.11638	0.6
153.07016	0.5
155.07088	0.5
155.08548	1.1
156.09435	0.5
157.10121	1.2
158.10915	9.3
159.08038	1.4
159.11653	1.4
161.05980	0.8
161.09653	0.9
168.09380	1.2
171.11679	1.5
173.13264	62.4
174.13647	1.1
177.12730	0.6
183.11722	2.7
201.12744	22.2
214.43857	0.5
219.13808	4.7
243.13792	0.9
261.14920	0.5
282.51495	0.6
303.10385	0.6
335.14975	22.3
335.19440	1.0
336.15353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.9
56.96566	44.6
58.99878	0.8
67.05527	0.7
69.02884	0.8
69.03439	0.8
69.07074	0.7
70.06606	2.1
70.34910	2.2
70.98120	4.1
72.08170	0.8
74.06095	0.9
74.97621	1.5
77.00936	0.6
79.05534	0.8
82.99908	1.4
84.04527	1.8
84.08150	5.1
84.14583	0.8
84.96053	2.3
85.02920	0.8
86.09733	1.8
88.99181	1.3
89.03947	2.9
91.05502	0.8
97.02905	1.1
98.06073	0.8
98.21186	0.8
98.97592	8.9
100.99135	3.9
101.00881	9.5
103.02471	1.4
105.00385	1.0
107.04965	1.4
110.07195	0.8
110.97581	4.9
112.99143	0.7
113.00863	3.1
113.07158	0.7
115.02451	2.5
116.98618	5.2
117.03371	3.6
119.00192	3.2
119.01923	19.7
119.04921	1.2
120.08121	1.2
123.05559	3.1
126.97111	0.9
128.98598	11.0
129.04025	1.2
129.10283	1.7
130.06534	1.4
130.08662	1.3
131.00221	0.8
131.01920	13.9
131.05525	3.9
133.03523	5.2
134.99672	2.1
135.04428	5.6
137.00905	1.1
137.02991	2.0
143.01897	29.5
144.98094	2.2
145.02707	1.7
145.03491	5.0
146.99661	17.7
147.01418	1.4
147.04451	3.0
149.02948	1.7
149.06589	7.5
154.96553	0.8
155.01903	13.8
155.05550	1.3
156.02676	1.1
157.03477	1.9
158.99710	2.1
159.05049	1.9
161.02962	36.8
162.99239	3.4
163.03899	30.7
164.04239	1.2
165.00732	9.6
168.60989	0.8
169.03490	0.9
169.07156	1.0
172.65109	0.7
172.97610	6.9
173.01309	1.4
173.02950	12.3
173.06602	16.4
173.07973	1.2
174.06764	0.7
174.99185	2.5
175.00647	1.4
175.02917	0.7
175.04552	2.3
177.00723	6.4
177.06104	2.7
179.02312	1.2
179.03923	1.0
181.00206	0.8
181.01773	1.6
181.03459	0.9
183.01781	1.4
184.04575	1.4
185.01324	0.8
185.03064	1.9
185.06592	19.5
187.04514	1.1
187.08186	3.8
189.00758	1.9
189.99329	0.8
190.98653	19.6
191.00194	2.8
191.02159	1.5
191.04008	0.8
191.07620	6.1
192.98735	0.9
193.00244	4.3
193.01797	2.2
193.03561	2.4
194.03665	0.9
195.01770	2.4
199.08217	1.6
200.98386	3.3
201.06053	1.8
203.02232	1.1
203.03996	4.9
203.07652	13.1
203.09518	0.9
205.00195	3.2
205.09215	0.9
208.99594	8.7
209.01596	4.2
209.03014	1.3
211.02762	2.6
211.04587	1.1
214.98721	1.1
215.04102	1.9
215.07648	8.7
217.09286	1.3
218.97806	1.0
218.99713	14.4
219.01744	2.0
220.02766	0.7
221.02959	6.1
221.05087	14.9
222.03075	0.9
223.01213	2.0
226.09364	0.9
227.04134	3.0
227.07632	2.1
229.03824	1.3
232.99579	4.7
233.03394	0.9
233.08720	2.6
235.04602	1.2
235.99890	0.7
237.00700	100.0
238.01074	1.5
239.04091	1.5
245.05304	0.9
247.01237	1.9
251.00388	1.1
251.02473	2.0
253.00185	1.0
253.05644	1.6
255.01740	40.3
256.01834	1.0
257.08786	3.4
258.05258	1.5
259.02960	1.0
260.02347	3.3
263.04169	1.6
265.02261	0.7
273.02850	12.1
275.00705	1.9
275.03833	2.3
275.09763	28.4
277.04254	1.2
278.03116	0.9
281.04987	2.3
289.01733	0.8
291.01410	1.1
291.04153	1.0
293.01788	1.8
293.05209	2.3
293.10806	51.4
294.10977	1.1
307.12491	1.1
309.08264	0.8
312.06464	1.3
316.12357	1.4
316.99387	6.1
335.00452	5.0
335.07687	1.0
335.11847	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	335.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01866	5.5
55.05499	2.2
56.05021	2.2
57.03428	5.0
58.99612	1.4
67.05489	4.2
68.89317	1.5
68.99795	3.2
69.03082	2.6
69.03431	34.4
69.07037	1.8
70.06584	5.9
71.04984	3.6
71.58183	1.9
79.05499	10.6
80.05006	1.7
81.03411	3.6
81.07055	5.6
83.04968	2.5
83.06088	3.2
83.08576	2.0
84.04025	2.4
84.04502	26.6
84.08129	7.0
85.02907	83.6
86.09692	3.0
87.00830	12.4
91.05471	12.2
93.07031	5.8
95.04936	5.4
95.08601	2.8
97.02897	2.6
98.06069	9.8
99.04416	4.6
101.04230	2.2
101.07173	1.6
103.05447	6.5
105.01873	3.6
105.07034	96.3
107.08585	3.7
108.08108	3.5
109.02909	1.9
109.06487	5.7
111.00791	3.3
115.05460	10.5
116.07082	6.1
117.07005	16.9
119.08565	7.5
120.08121	2.3
121.06494	3.4
121.10107	1.8
123.91595	1.8
127.03915	3.2
128.06207	8.3
129.07025	11.2
130.05002	11.7
130.06577	1.9
131.04918	4.4
131.08548	9.2
133.06497	100.0
133.10129	10.6
135.08014	6.2
136.06169	6.6
136.07579	20.1
137.05888	1.6
141.07004	7.5
143.08554	16.0
145.06453	4.7
145.10117	4.8
146.07173	3.1
147.07893	2.7
149.05957	3.0
152.06169	2.3
153.07025	3.8
155.08553	3.2
156.08365	3.7
157.06520	2.8
157.10149	4.4
159.08084	8.7
159.11734	1.6
161.04626	2.1
161.05962	2.1
161.09621	27.6
163.07556	2.2
163.11165	3.4
164.07036	12.5
165.06956	2.6
167.08560	11.9
169.06401	3.1
171.02905	14.8
171.08090	8.1
173.09668	2.1
178.12253	2.5
181.09711	18.3
182.08136	8.0
183.08057	1.6
185.09586	7.6
187.07535	4.6
189.03961	19.7
189.09108	21.7
195.08124	3.5
201.08987	2.4
201.12843	1.8
206.11845	8.1
209.09265	2.7
213.09109	12.2
231.10167	11.5
249.11276	2.1
264.00598	1.6
264.62015	1.7
271.11160	5.4
278.50021	1.4
290.13934	1.8
317.10138	3.2
335.15137	2.7
335.19141	6.1
349.54346	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48567	0.2
67.05485	0.3
68.27189	0.2
69.07076	1.2
71.57441	0.3
79.05482	0.5
81.07043	0.3
84.63504	0.2
86.09673	0.2
86.99586	0.2
89.03884	0.3
91.05491	0.7
93.07036	0.4
94.81631	0.2
95.04885	0.3
95.08578	0.3
97.06535	0.5
98.21042	0.2
107.04962	0.3
107.08548	0.2
116.04983	1.9
117.07034	0.3
118.06546	9.5
119.08543	0.9
121.02825	0.5
121.06520	0.4
130.06531	0.4
131.08548	0.3
144.04414	1.1
172.03934	7.3
190.04990	100.0
191.05370	1.1
197.78215	0.3
215.10606	0.2
215.14328	0.3
218.04486	52.2
219.04832	0.8
243.13593	0.4
271.08746	0.4
275.04822	0.3
289.09689	0.9
299.52466	0.2
307.10739	1.0
335.10242	28.2
335.18646	0.7
336.10629	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	16.3
57.58110	15.6
69.51633	100.0
75.28358	14.4
98.20892	43.1
98.21471	30.1
98.97547	16.3
101.00904	23.9
117.03405	19.2
119.01920	20.2
131.01888	22.3
135.04376	15.5
163.03922	77.6
187.90697	14.5
221.03018	38.1
227.05139	20.6
237.00760	27.5
261.54684	16.7
335.08734	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	335.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	15.9
56.96567	18.5
59.49959	11.6
59.66272	14.2
60.04519	15.6
69.07068	24.6
70.06604	71.9
70.39899	51.8
71.06946	11.6
71.24766	12.0
71.41841	12.5
72.08147	19.9
72.93803	16.2
84.04504	21.7
84.08143	27.6
86.09728	71.8
91.05459	29.6
95.01339	15.9
110.07174	29.0
119.04955	50.0
120.08098	16.2
129.10298	20.3
130.05046	15.0
133.06471	12.4
137.94548	11.8
142.08676	15.0
147.04436	100.0
163.03882	13.9
169.18472	12.1
174.05373	12.1
182.96132	12.0
202.97963	15.5
206.97516	17.4
211.08333	11.6
218.97391	40.9
218.99377	12.4
236.98593	18.6
237.00742	45.3
243.10254	19.1
247.10713	13.4
272.98511	28.7
299.10345	18.7
317.11206	36.9
335.01617	14.1
335.12338	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2377
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
53.97284	0.4
55.05498	0.4
59.13349	0.4
67.05492	0.7
68.90617	0.4
70.06592	0.9
71.22818	0.6
79.05508	0.5
84.04503	0.6
93.07037	0.5
95.04948	0.5
95.08575	0.8
97.06548	0.5
98.21151	0.4
98.98454	1.0
104.92809	0.4
105.09284	0.4
106.06549	1.4
107.07346	0.4
107.08597	0.5
109.16128	0.4
118.06535	4.1
120.08115	1.0
125.06019	0.5
130.06522	4.5
131.07274	1.2
132.08102	2.0
134.09679	0.7
144.08055	0.6
146.09648	3.2
160.11226	2.7
162.09149	6.9
162.12764	0.5
168.08136	0.9
172.03922	0.5
176.10698	4.0
177.11473	0.7
179.49295	0.4
184.19913	0.4
189.09076	0.4
190.12256	11.4
204.13847	1.2
212.10713	0.8
220.13477	0.9
230.11751	1.6
237.63695	0.5
244.20670	2.0
272.20114	10.0
290.21078	1.4
334.23758	100.0
335.24115	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	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.3
56.05030	3.0
57.03430	2.1
57.07073	2.7
60.04529	100.0
67.05515	13.3
68.05027	1.1
69.07078	7.5
70.06575	2.3
71.08633	1.7
72.04518	2.5
74.06075	3.0
79.05486	5.1
80.05035	1.9
81.07063	11.6
82.06597	2.0
83.04974	1.7
83.08621	5.4
84.04523	1.2
84.08141	1.4
85.10181	1.4
86.06068	1.7
91.05490	3.8
93.07029	4.8
94.06488	1.1
95.08612	12.6
97.06528	1.8
97.10168	3.0
98.98469	2.2
102.05526	2.1
105.07045	3.1
107.08595	3.9
109.06561	1.3
109.10165	6.9
111.08074	1.1
111.11721	1.2
113.98083	1.0
114.82821	1.0
116.07069	1.4
119.08578	2.9
121.10153	2.2
123.11669	1.5
130.06511	4.2
131.08643	1.3
133.10161	1.7
135.11749	1.2
188.28134	1.1
200.87279	1.2
221.22682	1.2
239.23767	2.7
272.25845	1.6
280.26428	8.5
298.27380	17.6
316.28470	44.0
317.28897	1.4
334.23392	3.5
334.29547	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
67.05525	0.7
69.03409	0.4
69.07060	0.3
69.82430	1.7
72.08167	0.3
75.62061	0.2
79.05500	0.3
81.07059	0.8
84.08145	0.5
86.09686	0.4
91.05467	0.6
93.07011	0.7
95.08593	0.8
98.21473	0.3
98.98479	0.6
105.07009	0.8
106.06538	1.3
107.07321	0.4
109.02818	0.3
112.59264	0.3
117.05759	0.7
118.06541	4.0
119.08585	0.3
120.08119	0.8
121.10156	0.4
125.05972	0.4
130.06505	0.7
131.07336	1.8
132.08089	1.7
133.08839	0.5
134.09593	0.7
144.08134	0.8
145.08905	0.3
145.10101	0.5
146.09625	3.6
160.11241	2.7
161.12033	0.3
162.09132	6.9
162.12662	0.3
166.08670	0.5
172.11156	0.4
173.13174	0.3
174.12820	0.3
175.09914	0.4
176.10713	4.1
177.11450	0.7
177.23048	0.3
186.12801	0.3
188.14462	0.4
190.12262	10.1
204.13818	1.4
218.15388	0.4
220.13286	1.5
232.16888	0.5
244.20567	2.1
260.12842	0.5
272.20071	10.6
290.21106	1.4
316.22736	0.6
334.23746	100.0
335.23996	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	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10362	2.4
55.05501	5.2
61.01142	2.5
67.05496	19.4
69.03428	3.0
70.06597	13.6
71.57201	3.8
72.08144	5.3
78.82350	2.7
81.07049	12.4
82.06573	8.4
83.06924	2.9
84.04485	5.9
84.08141	8.1
85.02888	3.5
86.09702	5.5
91.05475	5.3
93.07042	4.3
95.04970	3.7
95.08586	8.0
98.98460	6.4
101.01735	2.9
105.07024	3.6
107.08585	4.7
109.10161	41.6
110.07130	3.0
112.94470	2.4
116.05297	4.2
116.07044	2.6
117.06969	2.7
119.08540	2.8
120.08095	14.1
129.10201	4.9
130.06593	10.6
135.07935	3.2
136.06168	6.7
137.09616	88.0
155.10655	11.3
165.09116	100.0
165.10504	6.0
170.05968	3.4
176.14334	4.8
183.10191	5.1
201.11215	19.4
206.54051	2.7
219.03238	3.7
281.10226	6.7
290.14706	7.0
299.11285	3.2
317.18607	8.4
334.08139	11.0
334.16702	5.7
334.20459	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2423
Annotation	Dendrinolide
Peak:m/z	Relative Intensity
51.02383	1.3
53.03949	6.1
55.01878	5.5
55.05513	17.3
56.96574	1.0
57.03151	1.2
57.03437	23.9
57.07077	1.0
65.03946	4.8
67.05506	100.0
69.07067	15.3
71.04984	1.7
71.57847	0.8
73.02906	2.1
79.05494	55.8
81.03417	1.7
81.07058	63.9
83.04984	2.1
83.08624	4.9
83.84335	0.9
85.06515	1.0
85.38060	0.9
91.05483	33.8
93.07047	53.3
95.04977	6.5
95.08605	50.7
97.06527	0.9
97.10210	0.9
98.98454	9.7
100.98866	1.4
103.03932	1.3
105.04517	1.7
105.07040	21.8
107.08595	25.1
109.06519	2.4
109.10151	18.7
111.08046	0.9
117.07019	3.7
119.08590	22.6
121.06524	1.5
121.10146	16.2
123.11705	6.0
129.05475	21.9
129.07039	2.7
131.08559	5.6
132.64360	0.9
133.10136	16.0
135.08006	1.5
135.11688	12.1
137.09627	1.0
143.08575	1.7
145.10066	5.0
147.11691	8.9
149.13261	4.6
151.11258	1.4
157.10185	1.3
159.11717	5.6
161.09630	1.0
161.13196	5.0
163.14848	1.2
171.11700	2.4
173.13246	2.7
175.14828	3.5
176.98975	1.8
185.13318	2.1
199.14833	1.4
213.16272	0.9
215.17989	1.8
217.19545	1.7
229.29994	0.9
241.19490	3.1
259.20618	2.4
315.23065	1.1
333.24246	61.6
334.24649	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.6
57.03435	2.3
57.07067	0.9
60.41468	0.8
67.05499	6.0
69.07069	2.9
71.58323	1.1
78.23193	0.7
79.05488	7.9
81.07072	5.9
83.08620	0.9
85.06541	0.8
91.05479	7.8
93.07045	7.9
94.61872	0.8
95.08604	4.7
98.98470	13.6
100.98891	1.2
105.07044	11.2
107.08602	5.0
109.06512	0.7
109.10173	1.4
117.07002	2.4
119.08566	7.0
121.10148	3.0
123.08076	0.9
129.07010	1.0
131.08554	4.1
132.43762	0.9
133.10155	5.5
135.11703	2.0
143.08554	1.3
145.10130	2.6
147.11697	3.1
149.13295	1.4
157.10165	1.9
159.11679	2.7
161.13251	1.9
165.12755	0.8
171.11778	1.4
173.13316	1.9
176.98996	1.1
185.13261	1.8
193.04959	1.7
199.14847	1.0
224.65837	0.9
241.19545	2.9
259.20538	1.9
289.21677	0.9
299.21478	0.8
333.20413	100.0
333.24271	12.6
334.20651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	2.6
67.05505	1.4
69.07059	1.2
70.06583	1.6
70.40662	1.7
70.40990	0.9
71.08625	1.4
75.80802	0.7
79.05479	1.7
81.07057	1.5
88.07618	1.6
91.05463	1.5
93.07027	2.5
97.10177	1.1
98.21071	1.9
98.98466	12.9
100.98875	1.0
105.07018	2.7
107.08589	0.9
119.08582	2.2
129.06935	0.7
131.08566	1.3
133.10139	1.6
136.36224	0.8
145.10110	1.1
149.02386	4.5
149.28729	0.8
156.51797	0.8
157.10112	1.9
159.11667	1.2
176.98981	1.4
187.62059	1.5
193.04979	7.4
194.69885	0.7
218.08305	0.8
224.65648	1.2
247.13043	3.1
262.10718	2.1
299.44400	0.8
302.24033	5.4
315.19324	7.4
324.06372	0.8
333.20383	100.0
333.26120	6.6
333.75925	2.4
334.20615	1.9
334.29776	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38357	0.4
58.29969	0.5
69.03436	0.5
69.78889	2.4
81.07057	1.0
91.05484	0.5
92.06680	0.5
93.07034	0.6
94.04179	0.6
98.20817	0.6
98.98473	8.3
100.98890	0.7
105.07034	0.5
107.08606	0.6
117.27242	0.4
118.78203	0.5
118.78984	0.4
119.08578	0.6
121.10156	0.6
122.03652	1.0
129.01660	0.4
133.10117	0.6
137.05988	8.9
138.06345	0.8
149.02373	0.5
169.16972	0.5
176.98918	1.2
193.05017	0.5
221.11517	0.7
228.68417	0.5
251.12505	0.8
315.19440	0.9
333.20392	100.0
334.20679	1.5
337.55856	0.5
359.64841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00007	0.6
59.75441	0.6
67.05491	1.0
70.06577	0.8
71.08605	0.6
79.05473	0.8
81.07051	0.8
88.07625	0.6
89.69641	0.5
91.05484	1.2
93.07012	0.8
95.05007	0.6
98.21239	0.7
98.98467	14.8
100.98884	1.5
102.41830	0.7
105.07032	0.7
107.08565	0.8
115.88042	0.6
119.08566	1.1
135.08058	0.9
139.13951	0.6
167.88394	0.6
169.39815	0.6
176.98917	1.3
193.04916	1.2
195.09920	1.8
208.95976	0.7
235.13152	0.8
242.46918	0.7
271.28329	0.9
277.44965	0.7
294.55780	0.6
302.24066	1.1
333.20355	100.0
333.31815	2.3
334.20532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
55.05504	3.0
56.05027	2.3
57.03440	2.9
57.07077	5.6
59.04998	3.4
60.04522	1.0
61.02932	3.3
67.05508	3.8
69.03423	8.5
69.07072	6.0
70.06590	1.4
71.04991	3.3
71.57949	1.2
73.02922	2.4
79.05501	2.0
81.03423	4.0
81.07073	2.7
83.08605	1.5
84.04520	12.0
84.08154	1.8
85.02911	33.4
85.06538	4.1
86.06067	1.8
86.09724	5.2
87.10043	1.5
89.03918	1.8
91.03960	2.0
91.05479	3.2
93.07076	1.7
95.05006	1.0
95.08614	20.8
97.02892	10.4
97.06577	3.4
98.98454	5.6
99.04465	2.4
99.08111	5.5
101.07141	3.1
102.05547	2.2
107.08592	3.3
109.02885	2.2
109.06528	3.8
109.10168	7.3
111.08097	3.2
113.09649	22.9
117.03366	5.5
117.07004	3.6
119.08606	1.8
120.08149	1.6
127.03925	5.4
127.11192	13.6
128.10616	1.1
129.07037	2.6
130.05005	15.6
130.07770	2.2
131.08582	16.2
135.11687	4.9
137.13266	1.9
143.08563	1.9
145.02872	13.6
145.04997	8.1
145.10173	2.7
147.07635	10.6
149.06038	1.9
153.12762	27.4
155.14301	3.5
157.01097	21.1
159.11696	23.5
169.10123	2.1
171.08119	1.2
171.13823	14.4
172.08838	2.4
173.12914	3.5
174.13197	4.2
177.05478	16.3
185.12065	1.6
186.12779	10.9
187.11195	100.0
188.07025	1.8
188.11478	1.9
195.10471	2.2
196.11217	1.2
199.03673	18.3
204.13902	3.6
213.14882	1.2
224.14380	3.1
235.04515	2.8
252.13815	4.7
270.14807	1.2
271.04419	1.5
289.05536	1.9
298.14435	10.6
315.13580	2.3
315.16986	19.4
315.20163	1.6
333.05881	2.7
333.14313	3.1
333.18100	21.3
333.24347	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.5
56.14145	1.1
57.06817	1.6
57.07077	23.8
67.05487	2.3
69.07065	1.4
69.35653	1.1
70.06602	1.3
71.57567	1.1
74.68664	1.1
79.05473	2.2
81.07062	2.2
84.08129	1.2
85.06539	1.6
90.78627	1.1
91.05460	3.3
95.08603	2.2
98.21185	1.4
98.98468	23.6
100.98833	1.5
105.07020	4.1
107.08556	1.8
111.58140	1.0
115.05421	2.4
117.06995	4.2
118.98015	1.1
119.08579	3.4
129.06996	2.1
131.04907	2.4
131.08534	1.5
133.10138	3.1
145.06480	4.6
145.10095	2.0
147.08031	2.1
148.82977	1.0
155.06024	1.4
157.10144	1.2
159.04430	1.4
159.11647	2.0
160.05214	6.5
161.05968	1.8
163.07535	1.9
172.05153	5.0
173.02357	3.4
173.13382	1.8
175.07570	4.1
176.98862	2.6
185.05989	9.2
187.07584	2.0
188.04689	51.2
203.07031	100.0
231.06517	68.5
232.06941	1.3
249.07581	28.9
321.22195	1.1
333.16870	3.6
333.20355	70.1
333.31656	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.7
64.75278	3.4
67.05491	6.8
69.07054	15.2
71.02926	7.0
71.04983	11.4
76.87253	3.2
79.05505	20.0
81.07066	24.8
83.08630	3.4
84.08135	6.9
91.05494	6.8
93.07030	18.6
95.01327	4.6
95.08611	6.5
97.06554	4.8
98.98463	100.0
100.98882	3.6
105.07038	6.7
107.08600	8.1
109.02904	4.1
116.99479	4.0
119.08570	5.4
121.10163	9.2
127.07581	5.6
130.06516	5.4
131.08571	7.5
133.10104	3.3
136.06183	4.0
141.01788	3.1
142.06503	8.2
143.07269	31.5
144.08084	35.1
145.08560	9.0
153.12730	13.2
154.06508	8.9
156.08183	4.4
159.11771	4.0
161.08118	5.1
168.08044	5.6
170.06023	13.2
170.09659	3.6
171.06767	8.7
172.07544	3.8
176.98961	7.1
182.06029	7.2
184.07620	7.1
186.09216	4.5
198.09190	4.3
200.07079	5.2
202.08626	6.7
210.05569	8.3
228.06377	5.1
240.06572	5.4
242.08003	4.2
247.17058	5.6
314.10071	4.7
332.11389	10.2
332.22382	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	333.058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
55.05499	1.5
60.04529	8.9
61.04887	0.8
67.05501	2.1
68.05007	1.0
69.03434	2.1
69.07057	1.9
70.02946	1.0
70.06595	3.4
71.04979	1.0
71.50666	0.8
72.08144	2.7
79.05474	1.7
80.35809	0.7
81.03416	1.1
81.07071	1.8
84.04504	2.9
84.08163	4.0
85.02896	6.9
86.06081	1.6
86.09706	33.8
87.04452	1.2
87.05598	5.1
87.10020	8.7
88.05926	1.2
89.03918	7.0
91.05466	1.7
93.07065	2.0
95.04960	1.4
95.08620	1.7
97.02905	1.4
98.21129	5.2
98.98469	16.3
100.98882	1.2
109.02837	1.1
110.07130	1.3
110.09714	0.9
111.08105	1.9
111.79085	0.9
113.09653	1.9
114.09166	1.2
114.10291	4.3
117.03377	27.7
119.08592	1.1
120.08134	1.1
128.10733	3.2
129.07109	0.8
129.10178	0.9
130.05006	2.3
130.06561	1.4
131.08560	1.6
132.10207	1.5
134.03648	1.3
135.04408	2.4
136.06175	8.1
145.02847	48.9
145.10155	2.1
147.07706	1.1
148.06168	1.8
148.07466	1.7
149.05989	10.4
153.09109	1.9
153.12730	1.4
157.01091	100.0
159.08073	1.1
159.11685	2.0
171.10179	3.5
171.13840	1.4
173.12862	27.3
174.13202	16.9
176.98978	1.8
177.05472	58.2
187.11198	8.3
192.02666	1.3
199.03671	85.3
201.12383	4.9
202.12688	4.7
216.12363	3.3
217.04781	2.6
220.02203	2.4
235.04552	5.2
238.03270	2.5
241.09727	1.0
255.11336	2.1
271.04504	2.4
285.12189	0.9
289.05524	3.2
297.12338	1.1
298.14642	1.0
315.13474	7.0
315.19879	1.1
332.24423	3.2
333.05539	12.4
333.14429	12.1
333.18152	2.7
333.24640	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	332.2181
Annotation	Ile Leu Ser
Peak:m/z	Relative Intensity
50.58608	0.3
55.05526	0.3
56.05019	0.6
58.06583	0.3
60.04502	0.4
69.07066	5.4
70.06600	1.6
70.45171	1.2
72.08148	1.5
81.07008	0.3
82.06511	0.3
84.04498	0.7
84.08141	1.9
86.09705	100.0
87.10040	0.6
91.05490	3.1
94.06569	0.4
98.20895	0.4
98.98475	6.1
102.05559	0.7
106.05048	0.7
107.04950	0.6
108.08134	0.5
119.04927	4.6
120.08107	0.5
129.10249	0.7
140.03340	0.3
145.02846	0.6
147.04416	13.5
148.04791	0.6
152.07025	0.4
157.01105	0.7
176.98927	0.4
177.05478	1.1
187.10757	0.8
199.03648	0.5
199.18057	25.2
200.18311	0.3
201.12361	2.7
202.97984	0.7
211.43930	0.3
219.13385	5.0
220.99080	0.5
224.98489	0.5
227.17538	11.2
229.11829	0.4
272.98422	1.7
289.51697	0.3
290.99658	0.6
304.16531	0.6
314.20752	1.4
332.13501	0.5
332.17108	0.4
333.09897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
55.05509	4.6
56.05037	11.4
56.05293	1.5
57.03424	1.5
58.06604	6.0
58.99579	3.2
59.46325	0.8
61.01130	0.7
67.05527	0.9
68.05026	0.8
69.07061	2.3
70.00866	2.4
70.01277	1.4
70.06591	7.7
71.06927	0.8
71.07339	0.8
72.08156	47.8
73.04048	2.0
74.06078	30.9
76.02232	2.5
79.05496	2.9
80.05836	0.8
81.07065	9.9
81.58253	0.8
82.06596	1.3
82.07393	3.4
83.06095	5.3
84.04026	1.3
84.04507	14.5
84.08163	6.4
86.00656	1.1
86.06068	2.4
86.09705	29.0
86.99041	1.3
87.02689	2.9
87.04462	1.1
88.03050	1.1
91.05481	2.5
93.07076	2.2
93.74421	0.7
95.08611	1.8
96.08110	1.2
97.06536	1.8
98.06050	3.0
98.21086	2.0
98.98468	16.2
100.07694	0.8
100.11286	1.3
100.98856	0.9
101.07141	24.0
102.05548	1.8
105.00115	1.2
105.06976	0.7
107.69879	0.8
108.08144	1.6
110.09688	6.9
112.07616	1.9
112.11246	2.1
116.07104	1.0
118.08663	0.9
119.04950	3.7
120.08138	1.8
128.10736	16.0
129.06596	5.6
129.10246	7.4
130.05057	0.9
130.06943	2.7
130.08617	1.7
132.10194	2.5
139.65417	0.8
142.12303	3.0
143.11801	2.5
145.02847	3.0
147.04422	9.6
149.09615	0.8
155.11807	1.1
156.08479	1.9
157.01096	2.9
157.08746	1.5
158.07191	1.1
173.12860	100.0
174.09564	2.1
175.09810	2.1
177.05508	3.9
177.06885	0.9
187.14424	26.2
188.07375	1.3
199.03674	2.7
201.12352	29.1
203.07166	0.8
211.11707	1.0
215.13899	7.5
219.13396	1.6
220.02130	0.9
231.17058	3.5
233.05998	0.9
234.06329	1.4
249.78462	0.8
250.14478	1.7
252.15981	1.2
272.98480	1.1
288.17941	3.6
289.05649	0.9
298.11258	0.7
314.12332	1.0
314.20157	1.1
332.13654	10.3
332.17078	1.9
332.20459	2.3
333.05569	0.9
333.14810	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2179
Annotation	Ser Leu Leu
Peak:m/z	Relative Intensity
55.05501	0.8
60.04526	18.9
60.08168	0.9
60.30529	0.4
61.05792	0.4
67.05499	0.9
69.07100	0.6
69.81844	2.8
70.02947	1.3
70.06598	1.1
72.04516	1.1
72.08157	1.0
79.05492	0.9
81.03412	0.8
81.07077	1.0
84.04520	0.6
84.08144	1.1
86.06064	0.5
86.09707	78.8
87.04476	0.9
87.05593	14.8
93.07031	0.7
95.04987	0.5
98.98472	4.0
100.11263	1.0
108.08158	0.5
109.10182	0.4
110.09698	0.7
112.11255	0.6
116.07099	0.6
117.03374	1.4
120.08110	1.3
128.10718	8.5
131.08569	0.6
132.10207	5.2
134.02600	0.4
141.91327	0.5
145.02884	3.0
155.95236	0.5
157.01083	5.9
166.39687	0.5
173.12865	100.0
174.13292	0.6
177.05470	3.8
185.95474	0.5
193.12263	0.6
199.03688	4.8
201.12346	26.5
211.13310	0.7
220.02354	0.5
245.18652	2.2
247.00494	0.5
285.23477	0.4
288.18048	0.5
298.21008	0.4
314.19400	1.0
315.13495	0.6
332.20813	1.0
332.24341	6.4
333.05746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.7
56.05024	1.6
60.04525	19.2
61.02918	0.8
67.05492	2.5
69.03428	1.1
69.07066	7.0
70.02950	1.5
70.06586	2.8
70.98203	2.0
71.04975	1.4
72.08155	1.4
79.05484	2.2
79.53522	0.7
81.03426	3.7
81.07040	3.1
82.06590	0.8
83.04974	1.6
83.08625	0.8
84.04488	2.9
84.08141	2.1
85.02903	3.4
86.06075	4.9
86.09706	83.0
87.04483	4.4
87.05592	11.3
87.10033	1.1
91.05470	2.5
93.07037	2.4
95.04975	1.3
95.08620	2.5
97.02879	1.9
98.06032	5.0
98.20942	1.3
98.98470	5.7
104.07105	2.4
105.06619	2.6
107.08619	1.5
108.08089	1.1
109.10175	1.5
109.30115	0.9
110.09687	1.2
111.08149	0.9
113.09675	1.2
116.07050	0.8
117.03384	2.6
119.08578	0.8
120.08150	1.1
121.10103	1.2
122.02746	1.3
127.11235	0.9
128.10725	14.6
129.10216	1.2
130.05003	2.2
131.08580	3.2
132.10204	4.0
133.10133	1.0
143.00522	0.8
144.04518	0.8
145.02827	6.5
147.07663	1.2
149.09631	2.2
153.12746	1.7
156.10246	1.2
157.01086	8.3
159.11682	2.2
173.12863	100.0
177.05498	8.1
186.12785	1.4
187.11163	10.0
193.12248	2.6
199.03693	8.9
201.12360	22.7
211.13290	5.4
245.18753	1.7
252.16037	0.9
258.11270	2.2
261.01587	0.8
288.18085	4.5
314.14130	1.5
314.19638	14.3
315.13678	0.9
315.17023	1.7
332.14993	1.4
332.20737	1.5
332.24332	8.0
333.05899	1.0
333.18082	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	332.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.3
55.01869	2.9
55.05519	11.4
56.05027	5.3
57.03440	2.8
58.99584	4.1
60.04513	3.9
60.63091	1.7
60.71452	1.7
61.09694	1.7
67.05505	15.9
68.05029	4.0
69.03426	8.0
69.07071	9.6
70.06307	1.5
70.06601	16.3
71.04990	4.1
71.06942	2.2
72.08147	6.8
72.93792	2.4
74.06071	2.0
76.02220	5.5
79.05500	16.2
80.05004	3.5
81.03423	23.1
81.07053	18.6
81.55891	2.3
82.06583	2.1
83.04979	14.2
83.08617	9.4
84.04511	9.6
84.08144	8.2
85.02904	2.0
86.00665	2.0
86.06065	28.9
86.09704	22.1
87.04468	24.9
88.03989	3.0
91.05025	2.0
91.05492	17.9
91.76701	1.8
93.07043	15.2
94.06562	3.6
95.04967	13.5
95.08618	10.8
95.13062	1.8
97.02873	1.7
97.06516	7.8
97.10169	5.7
98.06052	13.9
98.98476	31.9
100.11243	6.6
100.26817	1.7
102.05552	5.0
104.07107	18.5
105.00084	2.5
105.07033	9.4
106.05062	1.6
107.04955	4.6
107.08588	5.6
109.06528	4.1
110.05938	1.7
110.07207	2.1
111.08086	4.8
111.56682	1.5
112.07624	8.3
116.05252	2.0
117.07034	3.1
119.04929	7.7
119.08573	8.6
120.08098	4.6
121.10149	6.6
122.02745	23.9
123.08055	1.9
124.07567	3.4
126.05494	2.0
128.10786	2.3
129.06958	4.6
129.10248	3.7
131.08568	5.0
133.06383	2.1
133.10123	8.2
135.08047	2.7
135.11694	3.0
138.09129	1.8
140.07079	2.5
142.08604	4.5
144.04427	3.7
145.02856	2.6
147.04417	13.0
147.11653	4.7
149.09668	13.6
149.10664	2.6
152.07072	2.5
157.01080	4.2
157.10100	3.9
158.08148	3.4
165.12767	3.4
166.12283	2.9
169.08594	3.2
172.98514	5.3
173.12895	11.1
175.11183	7.1
176.98883	3.9
177.05458	4.2
184.13399	2.5
192.13829	1.9
193.12241	31.0
195.13792	3.1
197.12904	3.9
198.13255	8.6
199.03656	3.4
201.12381	2.5
210.14926	7.9
211.13303	56.4
212.13518	2.0
212.16470	3.6
227.12782	2.4
252.15981	7.0
268.13589	2.2
270.17087	10.3
278.17517	5.1
288.18018	12.2
296.13037	2.9
296.18475	2.9
314.14383	9.5
314.19595	100.0
315.19916	1.9
332.11386	3.9
332.14975	2.2
332.20850	2.4
332.24249	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	331.2843
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
54.52802	1.8
54.83083	1.8
55.05514	11.5
57.03428	7.3
57.07079	100.0
60.31370	2.1
67.05505	26.0
69.07070	15.3
70.06005	5.7
70.06416	2.5
71.08634	68.8
75.04475	4.2
79.05501	2.6
81.07057	38.8
83.08628	21.1
85.06502	1.8
85.10186	31.4
86.77628	1.7
88.07636	1.9
91.05483	2.8
93.07059	2.4
95.08616	47.8
96.66192	1.7
97.10172	13.9
98.21090	4.8
98.98471	88.2
103.07613	2.2
109.10162	22.1
111.11739	4.0
112.89152	1.7
116.99522	2.6
121.10083	2.0
123.11720	11.4
125.13328	3.4
137.13249	5.1
139.14738	2.1
162.61884	1.9
174.99295	4.0
176.98914	9.3
185.13240	1.8
206.19815	2.2
221.22641	2.0
239.23715	18.2
257.24713	7.7
265.38251	2.1
313.27383	61.2
331.08209	2.4
331.34076	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	332.134
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03949	0.8
55.01855	0.6
56.96562	6.5
57.03438	0.9
61.02924	1.8
65.03937	0.9
67.05507	2.6
67.58208	0.5
69.03429	6.1
70.33408	1.4
72.08155	4.8
73.02930	1.5
79.05491	1.6
81.03407	1.4
81.07052	1.1
81.63815	0.5
84.08147	3.3
85.02911	7.6
85.08519	0.6
86.09718	2.4
87.04478	1.6
87.05595	0.5
87.76635	0.5
94.06551	0.9
96.08144	0.8
97.02895	2.6
98.21015	0.9
98.97608	1.7
98.98466	2.0
106.06563	5.4
107.04866	0.5
108.08119	100.0
109.02879	1.2
109.08448	0.7
110.97572	1.2
115.28309	0.5
116.98606	0.6
123.06823	4.4
124.07599	14.6
127.03939	1.7
128.98633	4.3
129.10214	1.4
134.06024	10.0
136.07576	11.1
137.08275	0.8
145.05038	0.6
146.99643	3.8
147.04350	0.5
150.05505	0.8
152.07071	65.4
153.07425	0.8
154.08672	1.7
161.08841	0.5
163.03928	1.6
165.00691	1.2
170.08122	7.1
171.14929	1.1
172.94379	0.7
174.97821	0.6
174.99190	3.0
175.00723	1.4
181.23434	0.6
190.95374	0.7
193.00208	2.7
193.01776	1.5
205.00203	1.4
209.01247	1.1
211.02786	1.2
221.02992	0.7
237.00757	2.1
249.98795	0.7
255.01735	7.7
272.96149	0.5
273.02841	8.1
275.02826	0.6
290.96835	1.1
309.02924	1.6
314.12326	37.3
327.03809	2.4
332.13388	50.7
333.13779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.3
55.05509	14.4
57.03437	7.6
57.07077	100.0
67.03654	1.3
67.05504	28.6
69.07072	16.5
70.06588	2.0
70.98969	1.8
71.08632	59.1
74.17591	1.7
75.04462	3.4
81.07062	36.6
83.08205	2.1
83.08624	22.9
85.10184	38.0
88.07603	2.3
95.08611	54.1
97.10186	12.2
98.98471	29.6
99.11722	2.3
103.07552	1.4
109.10159	24.1
111.11694	2.5
123.11713	10.4
125.13287	3.0
137.13266	5.2
151.14798	1.7
165.16452	1.6
176.98882	2.1
183.64877	1.6
221.22664	1.4
239.23734	17.1
245.84016	1.5
257.24734	8.3
313.27362	54.5
316.05682	1.7
331.34015	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	331.2841
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05513	12.7
55.26507	1.6
57.03429	7.5
57.07075	100.0
67.05504	22.1
69.07071	15.9
69.84101	1.7
70.06594	2.9
70.48244	1.5
70.48907	3.7
71.08629	69.8
75.04468	4.8
78.97906	1.7
79.05491	2.5
80.43188	1.5
81.07058	30.7
83.08617	24.1
85.09703	3.1
85.10180	38.3
85.69031	1.5
88.07622	5.7
92.62444	1.9
93.07053	1.9
95.08607	52.4
97.10170	12.3
98.20958	3.5
98.98466	28.7
99.11722	1.9
102.09217	1.9
103.07515	2.4
106.06503	2.1
106.08690	2.3
109.10159	23.0
111.11711	2.2
118.06492	1.6
123.11711	11.2
125.13257	1.9
137.13271	4.9
176.98880	2.2
221.22774	2.4
239.23691	19.8
242.01610	1.8
257.24734	6.1
263.68365	1.8
313.27350	55.0
313.32837	4.1
331.34015	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	331.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52815	0.5
55.01854	0.6
56.05025	2.0
56.96563	8.6
57.07084	0.6
59.94062	0.5
60.04517	1.1
60.05631	0.7
61.46753	0.5
67.05511	0.9
68.30582	0.6
69.03426	1.5
69.07055	1.1
70.06591	4.9
70.98145	0.6
71.57995	0.8
72.08157	5.3
72.93785	0.6
74.06047	0.7
81.03461	0.6
82.19530	0.7
83.06109	0.7
84.04504	26.2
84.08146	18.8
85.02927	1.2
86.09708	51.4
91.05517	0.7
98.06071	3.7
98.98469	100.0
100.98882	2.6
101.07147	4.3
102.05540	0.6
105.81857	0.6
108.08115	4.1
110.07186	0.7
110.97565	0.7
112.07603	2.8
112.08758	1.2
116.07093	0.8
116.98633	1.6
116.99514	3.2
119.04971	0.7
124.07622	0.7
127.08649	0.6
128.95337	0.7
128.98610	1.9
129.10246	18.6
130.05006	41.7
130.08649	1.9
132.10190	0.9
134.06006	1.4
134.99690	0.8
135.04413	0.7
136.07582	1.0
143.11801	0.9
146.99640	3.9
147.04410	2.4
147.07652	54.9
147.11397	1.0
152.07068	5.4
156.03316	5.7
157.13359	18.3
158.06593	0.9
161.01247	0.6
163.03935	1.8
168.03304	1.9
169.09760	1.3
172.94400	1.9
174.04398	11.0
174.99239	4.4
175.00641	1.0
175.11954	0.7
176.07697	1.1
176.98944	7.2
185.12859	4.7
186.04384	12.2
186.05954	0.8
186.96774	1.1
187.04707	0.8
190.95389	1.9
190.98657	0.9
192.05460	1.9
193.00182	0.6
193.01767	0.9
200.13956	1.6
204.05461	11.8
208.96481	1.4
209.01303	1.2
211.02771	1.4
216.96944	0.7
221.03069	1.0
222.06467	0.6
229.03767	0.6
234.98033	0.7
237.00832	2.7
237.02910	0.7
252.99838	1.4
255.01778	6.4
259.04730	0.8
260.16077	3.5
260.19583	0.6
271.35587	0.7
272.02670	3.3
273.02765	7.1
285.03079	1.0
288.95569	0.7
290.03687	6.6
298.04733	0.8
301.03323	0.6
306.96808	1.4
309.02795	1.1
314.12366	0.6
316.05859	1.7
327.03793	0.6
331.00873	2.1
331.08365	1.9
331.20215	1.3
331.23959	3.0
332.09583	1.7
332.13461	1.4
349.01077	0.9
350.10754	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
57.03438	3.1
62.90196	0.6
67.05495	2.4
69.07071	1.7
70.06602	0.8
71.58246	1.2
79.05483	2.1
81.07054	2.5
83.08619	1.2
88.07654	0.7
91.05501	3.8
91.05978	0.7
93.07058	1.8
93.60748	0.6
95.08601	1.8
98.98469	100.0
100.98901	2.2
104.99934	0.6
105.07038	4.4
107.08613	1.0
109.10147	0.8
111.08073	1.1
114.23674	0.7
116.99509	2.4
117.07026	4.8
119.08584	4.2
121.10196	0.9
129.07069	0.6
129.86983	0.6
131.08574	5.1
133.10117	1.8
140.01065	1.5
142.07722	0.9
143.08559	1.3
145.10130	8.3
147.11685	1.7
157.10143	4.8
159.11691	18.8
169.10146	1.5
171.11737	1.3
173.13293	1.2
174.99252	3.0
176.98932	7.2
183.11763	2.0
185.13235	0.9
197.13310	1.0
199.14833	0.7
234.62978	0.6
239.17964	2.8
252.99779	1.4
253.05089	0.8
257.19016	2.7
295.56714	0.6
298.04742	0.9
299.05255	0.7
313.07016	1.1
313.21655	1.0
316.05804	1.9
331.08179	5.3
331.18820	39.3
331.22720	11.9
332.19116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1289
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
50.06998	0.3
55.01874	2.2
66.92505	0.4
67.05502	0.5
69.07049	0.8
70.06590	0.4
71.04992	0.7
71.57252	0.6
72.08138	0.3
79.05476	0.9
80.05019	0.6
81.07037	0.5
86.09678	0.5
88.04007	0.5
91.05464	0.8
94.06577	1.8
96.04484	0.4
98.98466	37.7
100.98891	1.0
105.07029	0.8
106.06541	2.1
108.04465	4.0
108.08113	0.7
110.06020	1.1
116.99514	0.9
120.08051	0.5
122.06026	2.9
122.62840	0.4
124.07577	0.7
128.88478	0.3
129.06998	0.8
129.10280	0.4
130.06532	0.4
132.08095	0.5
134.05997	2.7
135.06888	0.4
135.07964	0.4
136.03929	2.8
136.07582	0.7
140.07091	0.5
141.06900	0.4
144.08113	0.9
148.03975	0.6
148.07539	1.8
150.05493	1.4
152.07104	0.6
156.08072	0.5
158.09627	0.9
159.09206	0.7
160.07646	0.8
161.07120	1.7
162.05492	7.4
163.06320	0.5
164.07079	2.8
166.05011	0.4
168.06577	1.7
168.07932	0.5
169.07486	0.6
169.08803	0.5
170.08174	1.4
170.09648	1.9
171.09138	0.4
172.06297	0.4
172.09862	0.5
172.11246	0.9
173.10744	1.6
174.09213	0.7
174.99205	1.4
175.08693	0.6
176.07103	1.9
176.98929	2.5
183.09200	1.1
184.07629	1.1
184.11227	1.0
185.06996	0.5
185.08459	0.5
185.10805	0.4
186.07835	1.9
186.09277	0.8
187.08656	3.0
187.12228	1.9
189.06595	6.7
194.08095	1.3
197.10779	0.9
198.09103	1.6
199.08661	1.3
200.09445	1.4
200.10950	0.8
201.10242	5.8
202.11009	0.6
203.08188	3.2
211.08566	1.9
211.12265	0.8
212.07088	0.9
212.10739	1.3
213.10236	3.0
214.07384	1.5
214.10715	0.7
215.08170	13.1
215.11671	5.9
222.09190	0.4
225.10269	1.8
226.08626	1.3
227.08284	1.5
227.11739	0.5
227.70575	0.4
228.08971	1.4
229.06102	1.0
229.09731	12.1
229.13184	2.5
231.11258	0.8
239.08223	1.4
239.11728	2.9
240.10210	1.4
241.09663	3.2
242.10324	0.8
243.07668	2.8
243.11299	7.3
247.14398	0.9
252.09058	1.3
252.99803	0.5
253.09718	1.3
254.08139	0.5
254.10559	1.0
255.11252	1.3
256.08444	0.6
257.09210	9.4
257.12869	7.6
258.11258	0.6
259.10794	1.0
261.12299	0.6
267.11322	3.7
268.09631	0.5
269.09235	0.7
271.10764	8.6
275.13925	3.8
285.09088	0.4
285.12335	11.9
295.10754	4.6
303.13409	4.4
313.11807	20.4
331.12878	100.0
332.13367	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	0.8
55.05517	13.7
56.96568	0.7
57.07092	0.7
65.47625	0.4
67.05508	1.2
71.23202	0.9
71.36008	0.5
79.05497	1.1
81.07049	1.8
83.04987	22.7
83.08615	0.5
88.07607	0.8
91.05511	1.2
93.07037	1.7
95.04942	0.7
95.08598	1.3
97.10188	0.7
98.98473	100.0
100.98911	2.3
105.07015	1.5
107.08602	1.3
108.17010	0.4
109.06505	0.6
109.10161	1.3
116.98788	0.5
116.99506	3.5
117.06997	0.9
119.08590	1.4
121.10148	1.2
125.05997	1.1
125.09533	0.5
126.09976	0.6
128.06310	0.6
129.07037	0.6
131.04965	0.7
131.08531	0.9
133.10123	1.2
140.01091	1.1
143.08624	0.8
145.06497	1.0
145.10115	1.4
155.04893	0.7
156.09329	0.5
157.10161	1.4
159.11732	1.2
160.05232	2.2
161.06079	0.5
169.10211	0.6
171.11768	0.6
172.05235	2.0
173.02449	0.8
174.99249	5.1
175.07649	1.1
176.98932	8.6
185.06020	1.9
188.04701	11.9
188.72685	0.6
190.11592	1.0
197.13298	0.7
199.14819	0.8
203.07059	20.6
211.14919	0.7
231.06540	13.8
249.07591	0.8
252.99792	1.7
298.04947	0.7
316.05743	1.7
324.45032	0.6
330.33957	0.6
331.08102	3.5
331.15631	0.6
331.22992	1.0
331.30408	0.8
331.34143	1.0
349.17020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.1
60.04515	1.7
60.05648	14.4
67.05505	0.9
69.07067	4.5
70.06593	52.7
70.09174	3.0
71.04987	0.8
72.08160	10.0
74.06075	0.9
79.53385	0.6
82.03763	0.7
82.22818	0.7
84.04516	3.4
84.08156	7.8
85.64594	0.7
86.09706	61.9
91.05499	2.4
97.06531	0.9
97.07674	2.1
98.06055	1.0
98.98466	100.0
100.98907	1.1
112.08734	7.2
113.07135	1.0
114.10278	5.5
115.08701	4.0
116.07085	16.9
116.99498	3.1
117.02046	0.8
118.03220	0.7
119.04916	1.5
128.04126	0.9
128.10721	43.9
129.10237	3.3
130.05002	0.8
130.06511	1.1
130.09756	5.9
133.09709	1.0
136.11259	0.8
138.03778	0.8
140.07106	0.9
147.04401	4.0
150.05518	2.1
156.10233	6.6
156.11360	1.6
157.10846	0.9
158.09261	19.2
159.07774	0.9
164.10808	0.8
166.12415	1.2
174.99246	4.8
175.11917	32.5
176.98943	5.7
183.66235	0.7
184.04338	2.5
202.06499	2.0
210.11395	0.9
211.14583	1.0
212.12808	4.9
217.11832	4.3
218.99718	0.8
252.99728	1.0
268.21436	1.4
285.12241	0.8
294.19284	0.8
298.16541	2.4
309.03967	0.8
312.18115	3.0
330.21432	74.9
331.21704	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
56.05039	1.3
60.04514	2.0
60.05650	2.7
67.05502	1.9
69.07066	1.8
70.06593	17.8
71.57771	1.0
72.04519	0.8
72.08157	3.8
74.06070	1.6
79.05480	1.3
81.07053	1.3
82.06563	1.0
82.66279	0.6
84.04492	2.6
84.08154	4.5
86.09708	17.4
88.03999	1.4
91.05479	1.6
91.36514	0.6
93.07058	2.0
94.06572	2.1
95.04987	1.2
95.08610	0.8
97.06518	0.8
98.06076	0.9
98.98466	100.0
100.98872	1.7
105.07027	1.0
107.08613	1.3
108.08112	1.9
109.10161	0.9
110.06053	0.9
110.09688	0.9
111.08089	2.1
112.08757	1.2
114.10312	0.8
115.08652	0.6
116.07108	4.8
116.99502	3.6
117.06934	0.9
119.08607	2.4
120.08109	2.5
121.06493	1.4
121.10191	0.6
122.09698	1.0
123.11766	0.8
124.03993	0.8
124.11269	0.7
128.10707	9.9
129.10237	1.5
134.09671	1.4
135.08047	1.4
136.11214	4.9
138.03737	2.0
138.09171	2.9
138.12802	2.8
138.38431	0.7
143.21591	0.7
147.04407	2.0
147.11671	0.8
148.07607	0.9
148.11267	1.7
150.05516	0.8
150.12758	2.0
152.07068	0.7
153.09114	1.1
155.28250	0.7
156.06534	0.7
156.10274	1.6
158.09265	4.5
164.10738	1.4
166.08633	1.1
166.12274	6.2
168.06490	0.9
174.99258	3.9
175.11978	7.2
175.99553	1.7
176.10600	0.8
176.98918	5.3
182.11806	3.0
184.04323	2.9
184.09717	2.4
193.12190	1.0
194.11754	1.0
210.11230	6.7
212.12814	32.0
217.11836	2.5
237.03035	0.9
237.64088	0.8
244.89998	0.8
262.14584	1.0
266.13849	0.7
268.15387	1.3
270.16986	2.4
280.15405	3.7
295.87616	0.8
298.16489	16.4
312.18033	21.2
330.10303	1.7
330.19016	15.0
330.21741	9.5
332.53668	0.9
344.21405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1184
Annotation	Lithospermoside
Peak:m/z	Relative Intensity
53.03943	0.6
56.96569	2.7
58.65474	0.3
61.02950	0.5
67.05495	1.4
70.06586	0.8
70.80554	1.0
70.98120	0.5
74.93141	0.4
82.06603	0.4
84.08152	0.8
85.02909	0.4
86.09708	4.7
94.06569	5.2
98.97590	3.3
98.98458	4.3
101.00836	0.6
106.06557	1.4
116.98620	1.8
119.01974	0.5
122.06033	4.5
125.51777	0.4
128.98627	0.4
130.72871	0.4
136.06187	16.5
144.08646	0.7
150.05507	100.0
151.05814	1.4
156.08725	0.4
158.04872	0.4
158.99683	0.6
160.08168	1.2
162.09784	0.8
164.02972	0.4
164.11223	0.4
168.06561	37.5
169.06963	0.6
172.08218	3.7
172.94354	0.5
174.09750	2.1
174.97717	0.8
174.99301	0.7
175.00900	1.5
177.05507	0.5
190.09225	0.8
198.97675	0.4
204.10849	0.9
208.10287	1.8
214.09322	0.4
216.98689	4.0
222.11823	2.9
234.99771	4.7
249.98851	0.8
260.09793	0.6
262.11481	0.6
264.42596	0.4
270.08255	3.8
278.10953	0.5
288.09464	2.5
298.07825	2.1
306.96698	0.5
312.06189	0.7
316.08853	1.7
330.06873	6.5
331.07291	0.4
348.04700	0.6
348.08151	3.9
348.11847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90890	0.8
55.01865	1.2
55.05505	4.2
67.05506	11.0
69.03429	1.4
69.07072	4.5
70.37418	3.7
71.04979	1.2
76.04121	1.0
79.05495	8.7
81.03439	0.9
81.07067	7.6
83.04988	1.4
83.08612	2.0
91.05488	6.4
93.07043	8.7
95.04995	3.3
95.08611	6.7
97.10160	3.7
98.21188	2.1
98.98469	100.0
105.07021	6.8
107.08607	6.9
109.06496	1.4
109.10159	7.1
116.99510	3.3
119.08575	4.9
121.10149	5.2
125.09628	2.5
130.06549	4.2
131.08560	1.2
133.10144	3.4
137.09613	3.3
140.35497	0.9
145.10080	1.6
147.08209	0.9
147.11684	1.3
157.79303	1.0
159.11746	1.4
172.13324	1.5
173.11766	3.5
174.99248	9.3
176.98935	3.0
189.11183	1.8
252.99670	1.1
257.18909	1.1
275.19995	4.1
281.13174	1.0
313.10123	3.1
328.12350	2.9
330.37317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1496
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
51.22097	0.3
55.05518	0.3
62.96363	0.3
65.03949	0.4
69.07063	0.3
69.88477	0.6
69.88892	1.0
70.06593	5.3
71.06933	0.7
72.08152	1.0
75.18484	0.3
76.04015	0.3
77.01601	0.4
84.04498	0.7
84.08144	2.5
86.09705	1.3
89.85912	0.3
91.05482	24.1
94.06494	0.3
98.21389	0.6
98.98467	68.2
100.98888	0.3
103.05473	0.6
105.07086	0.3
107.04937	2.1
109.06543	0.5
110.07155	0.4
116.99504	1.0
118.06536	1.4
119.04945	17.2
120.08109	8.3
120.89826	0.3
121.06515	2.0
129.10240	0.6
130.04976	0.4
132.08080	0.4
136.07579	100.0
137.05974	0.3
137.07939	0.4
146.03139	0.4
146.05988	1.7
147.04422	0.5
165.23189	0.4
166.08636	4.8
174.99226	5.1
176.98938	2.4
177.05441	0.5
178.05833	0.7
195.05750	0.4
206.08141	1.2
216.14328	0.4
251.00011	0.5
252.99651	0.6
260.71796	0.3
266.19153	0.3
283.14218	0.5
284.12793	0.4
312.12149	0.7
327.41394	0.3
329.10910	0.5
329.14926	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
55.05257	1.2
55.05516	16.9
57.07043	1.3
67.05507	6.4
69.03414	1.1
69.07079	5.2
70.31829	3.6
79.05494	7.8
81.07033	5.2
83.04987	1.0
83.08614	13.2
91.05479	4.1
93.07036	3.2
95.08595	1.9
97.10177	23.5
98.98470	100.0
105.07001	3.4
107.08604	26.6
107.09260	0.7
109.10156	1.0
110.49012	1.0
116.99519	2.1
117.07037	0.9
119.08575	2.7
121.10143	1.0
125.09635	22.7
128.05798	1.1
131.08562	1.4
133.10120	3.3
135.11700	0.9
143.10651	1.5
145.10129	2.7
147.11659	1.8
149.09639	1.9
153.09102	1.5
171.10152	2.5
174.99231	9.1
176.98923	3.0
177.74786	0.9
181.12296	1.1
189.11237	32.2
229.19582	1.2
257.19003	2.1
275.20047	20.5
276.20499	1.1
293.21109	2.1
328.23294	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.8
56.05033	0.9
57.05836	0.8
66.86092	0.7
69.07052	0.8
69.65886	3.2
69.66299	1.7
70.06596	47.0
72.08157	77.4
74.06071	1.0
84.04502	1.9
84.08148	1.7
86.09709	70.3
91.05431	1.0
98.21146	2.6
98.98469	82.4
112.08733	0.9
116.07097	100.0
116.11566	0.8
116.99496	2.5
117.03378	3.0
120.08136	1.0
124.50415	0.8
127.96514	0.9
129.10258	1.0
130.05014	0.9
137.06010	1.3
145.02850	6.3
149.06010	1.0
174.99219	7.2
175.99553	0.9
176.98967	2.4
177.05487	11.7
185.16498	37.4
201.12363	3.3
213.16017	16.3
215.13943	2.7
219.08057	0.8
229.15494	3.5
252.99869	1.1
328.21988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	0.7
53.03950	1.2
55.05512	2.5
57.07079	1.2
65.03957	1.3
67.05511	7.9
69.03448	0.8
69.07076	3.9
70.71168	2.1
77.03955	0.6
79.05515	5.2
79.90776	0.6
81.03419	1.2
81.07066	6.6
83.04965	1.0
83.08618	1.2
84.56001	0.7
85.06554	1.1
91.05486	8.9
93.07049	17.0
95.04980	16.6
95.08615	13.0
95.09169	1.3
97.06555	3.8
98.21137	0.8
98.98471	100.0
103.05488	1.9
105.07036	12.8
107.08600	7.9
109.06541	2.7
109.10180	5.1
115.05469	1.9
115.06417	0.8
116.99515	1.9
117.07027	4.8
119.08582	13.0
121.06538	4.7
121.10150	7.1
123.08089	2.8
123.11740	1.2
128.06163	1.3
129.07002	2.5
130.06534	97.4
131.06889	1.7
131.08553	5.5
133.10139	8.5
135.08051	2.3
135.11673	3.5
136.12769	0.7
137.09653	1.6
140.01051	1.2
141.07007	0.9
142.06540	1.9
142.07791	2.9
143.07446	1.6
143.08522	6.0
144.09363	1.3
145.10112	9.0
147.08046	0.9
147.11699	3.3
149.09680	1.3
149.13222	0.7
155.08583	1.1
155.17589	0.7
156.09303	0.9
157.10138	7.0
159.11719	8.6
161.09631	3.0
161.13234	1.2
167.07306	2.7
168.08054	1.0
169.10114	2.9
170.10861	1.0
171.11671	3.0
173.13184	3.5
174.99231	10.8
175.14847	4.9
181.10181	1.1
183.11696	2.7
185.13268	1.7
187.11195	1.6
187.14851	3.2
193.10054	1.0
195.10396	1.6
197.13257	2.8
198.12860	4.9
199.14864	2.7
201.16409	1.4
205.15918	0.7
209.13274	2.0
210.12738	6.1
211.14801	1.6
211.34471	0.7
215.14229	0.8
217.15796	1.4
220.12352	0.9
221.13435	1.0
225.16307	0.9
227.14442	1.2
233.03633	1.3
235.14825	1.0
251.00029	2.6
253.19583	0.7
259.12332	13.6
271.86374	0.8
309.22079	2.2
327.07886	3.0
327.18530	8.4
327.23117	5.5
337.92288	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.4
53.03945	8.9
55.01878	2.2
55.05499	4.2
57.03470	1.5
57.07076	3.3
64.75404	1.4
67.05508	13.6
67.74995	1.3
69.03417	1.5
69.07072	8.0
70.29321	3.6
70.29721	3.1
77.03923	2.5
79.05502	10.4
79.64690	1.3
81.03395	3.0
81.07066	12.9
83.04953	1.6
83.08604	2.2
85.06522	2.3
91.05492	16.7
93.06459	2.3
93.07049	32.0
95.04980	42.2
95.08607	22.6
97.06541	7.6
98.20908	1.7
98.98471	100.0
103.05466	2.3
105.04530	2.8
105.07045	24.1
107.08598	18.1
109.06520	5.4
109.10152	9.8
115.05423	3.1
117.07009	7.9
119.08588	25.4
121.06523	6.6
121.10143	12.4
123.08064	5.6
123.11707	4.5
128.06190	3.3
129.07019	6.2
130.07805	2.4
131.08585	14.4
133.10133	17.7
135.08043	3.6
135.11710	6.5
137.09639	2.5
141.07027	1.6
142.07811	4.7
143.08571	9.5
144.09311	2.5
145.06436	1.7
145.10123	14.3
147.11691	4.3
148.16226	1.3
149.09637	4.1
152.06223	17.6
153.06996	12.6
155.08560	2.7
156.09325	3.1
157.10127	14.1
158.10902	3.0
159.08115	1.3
159.11684	17.0
161.09613	6.9
161.13225	2.1
163.09801	1.5
163.11176	1.9
167.08629	1.4
168.05721	5.5
169.06496	2.5
169.10081	6.2
171.08063	1.9
171.11731	6.1
173.13245	7.0
174.99237	11.8
175.11205	2.5
175.14844	7.9
181.10213	2.7
182.10863	1.9
183.11731	5.0
185.13261	3.3
187.11185	3.1
187.14809	5.3
193.10103	2.3
193.15982	1.5
195.11708	1.5
197.13275	4.6
199.14886	4.1
199.56075	1.2
201.12732	1.9
201.16377	1.5
205.15805	1.6
207.11696	2.3
209.13242	3.6
211.14883	3.8
215.02551	3.8
217.15910	2.9
223.14818	2.1
225.16377	2.3
227.08537	1.5
227.14523	1.5
228.09337	4.7
229.10097	2.1
232.59433	1.7
233.03648	19.6
250.99982	2.9
251.04701	6.8
253.15872	1.6
253.19533	1.3
271.20612	1.7
283.20535	1.6
291.21085	1.4
309.22095	4.4
327.07834	69.4
327.23105	8.2
328.08087	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	327.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01860	0.6
55.05516	2.3
57.03441	2.7
57.07065	0.6
67.05515	3.0
69.03420	0.8
69.07078	2.8
70.06572	0.5
70.27235	0.8
70.27618	1.5
71.04987	1.8
77.01572	0.5
79.05490	4.4
81.03411	2.4
81.07057	6.4
81.98206	0.4
82.10600	0.4
83.04982	0.6
83.08600	0.9
85.06542	1.1
87.66756	0.4
91.05497	3.7
93.07045	4.6
95.04962	1.6
95.08603	2.8
97.06526	1.1
97.10165	0.6
98.21149	1.0
98.98468	100.0
99.08103	3.3
105.07035	2.5
107.04974	1.7
107.08600	2.6
109.06541	0.9
109.10156	1.1
111.08049	0.5
116.99488	2.5
117.07040	1.5
119.08572	2.9
121.06503	1.7
121.10212	2.2
123.08089	1.7
123.11717	0.5
125.11784	0.4
129.07043	0.7
131.08549	3.0
133.03072	0.5
133.06519	0.9
133.10156	1.4
135.08060	1.2
135.11734	0.5
137.05972	0.9
137.09636	1.9
143.08548	0.6
145.10115	1.3
147.08064	1.1
147.11665	1.0
149.09622	1.3
157.10226	0.6
159.11710	1.0
161.09656	0.9
163.03899	1.0
163.11215	0.5
173.02435	0.5
174.99239	10.1
185.13269	0.9
189.11259	0.5
199.14827	0.6
203.14505	0.8
207.13763	0.5
217.15912	0.6
219.13892	1.3
221.15337	3.7
223.13206	0.4
235.16940	0.5
237.14793	0.6
239.10733	1.2
251.00049	1.4
255.17424	0.6
273.18497	5.5
284.16742	0.7
291.19540	12.4
309.20670	1.9
327.12698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2165
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.25581	2.7
52.31945	2.6
53.03931	4.0
55.01863	5.1
55.05513	48.5
56.56096	2.6
56.85802	2.9
57.03436	4.3
62.11705	2.8
67.05508	28.9
69.03421	11.5
69.07060	11.7
69.84301	16.0
75.83907	2.9
76.52009	2.8
79.05489	27.1
81.03411	5.6
81.07059	32.3
83.04982	14.2
83.08618	30.5
91.05489	9.9
93.07044	36.1
95.04967	30.8
95.08606	39.4
97.06545	3.4
97.10171	55.3
98.21252	9.5
98.98468	93.0
105.07030	13.5
107.08577	20.5
109.10172	6.4
111.08134	3.0
117.07031	5.9
119.08564	14.6
121.10130	10.7
122.20139	2.9
123.08071	100.0
123.11710	10.2
125.09641	43.9
129.06972	3.1
131.08597	5.3
133.06551	3.0
133.10161	10.5
135.08057	3.2
137.09619	7.1
139.11206	6.6
143.08510	4.5
143.10654	3.2
145.10143	9.1
147.08105	5.0
153.09128	3.4
155.10675	3.5
157.10115	4.0
165.09039	13.6
169.12238	14.7
174.99232	13.4
183.10223	5.2
187.13318	19.5
189.11209	39.1
189.12714	4.4
193.58733	2.9
211.13278	6.2
223.13327	8.9
255.17490	3.1
263.20151	4.7
273.18503	43.1
291.19583	55.6
309.20517	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1592
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.79246	0.6
53.03947	0.7
54.69472	0.7
55.01870	0.7
67.05502	1.0
70.06583	1.4
71.15134	0.6
71.15476	1.3
77.01626	0.6
77.76196	0.6
79.05500	3.4
81.07059	1.5
84.04509	2.4
84.08137	1.0
84.99043	0.6
85.02910	2.7
85.04850	0.7
86.03246	0.8
91.05503	4.5
93.07037	2.5
94.04190	2.7
94.07381	0.9
95.04992	1.2
98.98470	100.0
103.05466	16.9
105.07035	8.9
107.04964	3.4
107.08595	1.0
108.08139	4.7
109.06536	2.4
109.08463	2.5
114.05569	0.7
115.05453	1.4
116.99507	2.7
117.07037	2.4
119.04955	1.4
119.08635	0.8
120.08099	0.7
121.06523	5.5
122.03648	7.3
122.09660	2.2
123.04469	0.7
123.08110	1.4
123.09980	0.8
128.06213	1.0
128.53055	0.6
131.04932	20.2
133.06497	31.3
135.08064	10.0
135.11726	1.1
136.12105	1.1
137.05984	99.0
138.06367	0.9
143.04922	2.7
144.05714	0.9
145.06496	6.1
147.08080	1.8
149.05994	2.1
150.12770	4.5
151.03918	2.0
151.07564	10.6
151.13068	4.9
152.14095	1.9
153.14734	1.3
157.06505	2.9
160.05301	1.0
161.06056	0.9
163.07552	45.2
164.07980	0.7
171.08096	1.8
174.06625	0.7
174.99236	12.9
175.07520	3.4
177.09094	1.1
187.07555	1.7
189.09117	1.5
202.07722	1.2
203.07076	1.1
203.10602	1.3
207.08119	0.9
217.10109	0.6
220.08746	0.8
235.07428	0.7
235.11159	1.7
245.09763	0.8
251.00087	2.3
263.10699	3.6
265.16174	1.0
273.26801	0.6
282.17123	5.0
283.17343	35.9
285.19028	1.7
295.13245	9.4
327.12265	2.2
327.15948	7.6
327.19925	27.8
335.44547	0.6
347.13373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.1
55.05503	1.3
56.96562	5.0
57.03419	3.1
61.08652	1.1
62.51347	1.1
65.03931	1.1
67.04251	7.0
67.05486	2.5
69.03410	2.6
69.92103	4.8
70.02950	7.5
73.02913	1.9
76.71616	1.1
77.48886	1.0
80.05009	2.5
82.06580	38.6
82.99844	2.4
84.08132	1.5
85.02899	2.5
86.09701	2.3
97.02880	2.0
98.20726	1.6
98.97598	5.1
98.98451	7.2
101.00875	14.5
108.53005	1.1
112.02479	3.4
113.00864	8.1
115.02411	1.6
116.98602	2.7
119.01921	34.2
128.24310	1.0
130.03502	6.8
131.01906	26.4
133.03456	1.5
133.04929	1.4
137.02951	5.6
143.01869	6.6
145.03436	1.5
153.01418	2.7
154.07141	1.2
155.01932	13.1
156.01450	4.1
157.03453	14.3
157.04593	2.1
161.02956	12.8
166.07245	2.2
167.01938	3.6
168.01964	1.2
171.02505	32.1
172.94370	3.4
173.02953	20.0
173.04303	2.3
174.02499	15.2
174.97708	2.8
175.04503	4.5
175.07146	3.8
182.02945	2.2
185.02934	13.0
186.03154	1.3
189.03571	100.0
190.03717	3.1
190.95404	3.5
191.04022	2.7
192.03574	2.1
192.98653	2.1
195.02545	7.5
196.04623	1.7
199.05614	3.8
200.04044	3.1
201.02362	2.4
207.00363	2.2
207.02496	5.8
209.09315	1.6
210.06163	2.0
212.05164	1.4
213.03558	73.4
214.03778	2.4
214.95352	5.2
215.03839	5.0
220.04559	1.8
221.07687	6.2
223.09262	2.4
225.03569	28.1
225.05684	2.2
227.05135	8.6
231.02325	2.3
231.04628	40.0
232.04918	2.1
232.96457	13.1
233.05028	19.6
234.05556	1.1
234.99710	1.9
237.03523	6.2
238.05652	8.9
239.08786	6.3
243.04663	10.3
245.06206	10.1
246.04570	1.6
247.06660	1.3
249.03517	1.6
250.97493	6.9
255.04620	12.2
256.06741	2.3
267.04636	3.3
267.08267	3.8
279.77042	1.1
285.05536	3.3
285.09256	4.5
291.08371	3.6
302.98599	1.9
303.06815	3.0
309.09225	6.0
327.06729	49.4
327.10056	1.9
328.03629	1.6
328.07068	1.4
345.07703	5.1
346.04916	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	326.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49797	0.4
50.90540	0.4
53.03933	0.7
55.05513	2.4
56.05030	0.6
58.06584	1.3
67.05493	1.2
68.05030	1.1
69.03448	0.5
69.07064	1.6
69.61396	1.0
69.61804	1.8
69.70613	0.4
70.06594	3.0
72.04518	0.6
72.08136	1.3
79.05495	4.5
80.05024	0.9
81.03403	2.4
81.07065	2.1
82.03741	1.0
82.06531	0.5
83.08621	1.1
84.04508	6.8
84.08140	1.1
85.02899	9.0
86.06066	0.5
86.09706	2.1
91.05479	1.9
93.07037	6.3
94.06580	1.5
95.08621	1.3
96.08113	0.8
97.06524	0.6
98.20663	0.5
98.98466	47.1
100.11262	2.4
102.05529	1.5
103.05460	1.4
105.07007	1.8
107.04942	0.9
107.08603	2.8
108.08119	21.0
109.02908	0.7
109.06526	1.1
109.08896	1.0
109.10128	1.0
110.09660	2.4
114.05527	1.4
116.07125	1.0
116.99492	0.8
117.07011	0.5
118.03740	0.7
119.08574	2.4
120.08086	0.9
121.06570	0.8
121.10139	0.6
122.03613	0.7
122.09663	11.5
123.10439	2.0
126.09190	0.4
130.05005	0.8
131.03444	0.7
131.04919	2.0
131.08571	0.7
133.06488	3.0
133.10126	0.6
134.09627	0.7
135.04404	1.2
135.08049	0.7
135.11674	5.6
136.04745	1.4
136.11229	3.9
137.05980	8.9
140.10715	2.5
142.04993	0.5
142.12259	2.4
145.02855	0.9
145.06456	0.6
146.03181	0.6
148.11221	0.6
150.12785	23.6
151.07565	1.1
151.13564	7.3
152.14336	8.7
153.12741	0.5
154.15837	0.5
159.14955	1.0
161.09622	0.6
161.13286	0.6
163.03882	3.4
163.07579	3.9
164.04256	6.6
168.06602	0.5
168.10204	1.8
171.59529	0.4
174.99231	5.8
178.15820	0.6
179.14302	1.0
180.06609	0.8
190.15903	1.0
194.11493	0.5
196.16879	0.6
206.06882	0.6
208.09622	0.8
208.13361	1.5
210.07574	0.9
210.14966	0.7
218.15309	0.8
222.29472	0.4
228.12418	1.0
236.16470	1.3
238.10710	1.1
251.00020	1.0
252.12373	1.6
264.15900	1.3
269.18628	1.9
280.15469	1.2
282.16995	100.0
283.17233	1.0
284.18512	4.7
295.13272	0.8
308.08582	2.0
308.18600	1.1
326.16327	2.3
326.19608	58.6
327.16479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26273	4.3
53.03949	4.9
55.05511	13.5
57.03435	6.9
57.07062	7.9
57.73212	4.0
62.06112	3.9
65.03977	4.4
67.05167	5.8
67.05509	100.0
69.07076	12.8
71.05002	4.4
71.58239	4.3
71.58649	4.8
79.05492	49.3
81.06584	5.0
81.07061	85.5
83.08591	6.0
85.06538	7.0
91.05495	22.4
93.07048	73.2
95.08609	60.5
98.21153	4.2
98.45554	3.8
99.08080	5.0
105.07024	20.7
107.08601	41.4
109.10171	35.1
113.09695	4.8
117.07024	11.9
119.08592	16.6
121.10151	51.1
123.11715	30.3
131.08549	20.2
133.10080	24.8
135.11697	52.4
137.13269	7.6
139.11197	5.8
145.10110	20.8
147.11688	11.4
149.13274	29.0
159.11685	20.9
173.13264	14.8
187.14835	5.7
189.16405	4.9
205.19527	12.0
215.18013	44.0
233.19020	72.3
251.20152	5.4
307.22684	6.2
325.23502	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43753	1.6
51.15351	2.1
53.03933	2.3
55.05508	16.3
57.03426	6.0
57.07074	11.3
57.19545	1.8
65.03921	2.9
67.05504	100.0
69.07070	11.6
70.71459	7.1
71.04976	6.0
79.05494	75.6
81.07056	97.1
83.08613	8.8
85.06535	5.8
91.05481	34.8
93.07041	93.7
95.04950	6.2
95.08602	64.2
97.06535	4.7
99.08083	8.5
105.07037	24.8
107.08596	53.7
108.18827	2.3
109.10159	34.7
113.09652	4.9
117.07021	14.6
119.08588	18.1
121.10142	65.8
123.08082	2.9
123.11698	26.8
125.09580	3.8
128.27760	1.9
131.08571	28.6
133.10133	22.3
135.11685	70.1
137.09593	4.0
137.13249	7.1
139.11209	2.7
145.10120	28.4
147.11685	15.5
149.09604	5.5
149.13255	31.1
151.11169	3.0
159.11690	22.8
161.13185	2.8
162.19139	1.9
163.11234	3.5
163.14835	3.4
173.13257	16.6
187.14801	5.0
189.16388	3.3
191.17970	2.5
203.91121	2.1
205.15987	2.7
205.19560	18.6
215.17960	71.5
233.19011	95.9
234.19362	3.6
251.20100	4.2
307.22650	4.8
325.23761	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
53.91264	1.4
55.01859	2.5
55.05515	14.4
55.53187	1.5
55.71922	1.6
57.03429	8.9
57.07077	10.2
67.05507	97.5
68.11945	1.3
69.07068	12.4
71.04975	6.4
75.04467	2.0
79.05494	55.3
81.07058	100.0
83.05022	1.5
83.08613	8.2
85.06561	7.1
85.49290	1.4
91.05480	30.1
93.07047	75.7
95.04961	5.8
95.08613	63.2
97.06499	5.2
97.10159	3.1
98.20723	3.1
98.21436	5.1
99.08114	7.1
105.07034	20.3
107.08601	42.3
109.06533	3.3
109.10158	36.8
111.08076	2.9
113.09689	3.6
117.07024	9.8
119.08575	16.6
120.81902	1.3
121.09314	2.7
121.10152	48.4
123.08080	3.5
123.11707	29.0
125.09631	4.0
129.05475	1.8
130.07816	1.5
131.08568	22.0
133.10124	20.3
135.08072	2.3
135.11703	63.2
137.13210	5.8
139.11180	2.1
145.10130	20.0
147.11691	17.5
149.09549	2.6
149.13268	27.7
151.11142	2.8
159.11694	22.9
161.13231	5.0
163.11206	3.3
173.13272	15.6
175.14877	2.1
177.12720	3.3
187.14780	4.7
189.16380	2.8
191.14420	2.0
191.17963	4.0
197.28171	1.4
205.15904	2.9
205.19508	12.3
215.15862	1.8
215.17967	55.1
233.19012	70.6
251.20073	7.4
307.22729	10.9
325.23840	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
52.77057	1.4
53.03941	3.0
55.01859	2.3
55.05515	17.0
56.70630	1.4
57.03448	7.5
57.07076	8.4
61.85205	1.4
65.03938	2.9
67.05505	99.9
69.07065	13.4
69.90619	5.2
71.04987	6.2
75.04477	2.2
79.05493	59.8
81.07058	100.0
83.08620	6.9
85.06538	6.5
91.05478	27.6
91.06010	2.6
93.07044	76.2
95.04969	5.1
95.08607	64.1
97.06533	5.3
97.10173	3.7
99.08096	7.7
105.07026	22.1
107.08595	46.9
109.06514	5.7
109.10154	40.4
111.08051	2.3
113.09667	4.2
117.07027	10.3
119.08582	17.3
121.10143	48.7
123.08008	2.7
123.11713	23.2
125.09618	2.0
128.06171	1.7
131.08565	22.7
133.10135	22.0
135.08083	2.6
135.11693	56.0
137.09554	3.3
137.13243	4.5
139.11162	2.3
145.10117	20.2
147.11679	15.6
149.09615	4.9
149.13248	25.1
150.05486	1.8
151.11131	3.5
156.51991	1.5
159.11697	20.8
161.13269	4.4
163.11212	3.8
163.14827	2.6
173.13274	16.7
173.14690	2.1
175.14873	2.7
177.12656	1.9
187.14763	3.2
189.16365	3.1
191.14284	2.6
191.17961	2.3
205.15950	2.1
205.19485	13.1
215.17955	53.4
233.18997	64.6
234.19373	1.7
245.45792	1.2
251.20027	6.0
307.22754	12.9
307.50369	1.5
325.24014	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.05519	16.0
57.03443	6.2
57.07071	14.2
67.05509	94.2
67.05872	4.9
69.07081	17.7
69.45323	19.0
71.04990	8.2
75.75913	2.2
79.05499	70.0
79.05959	4.8
80.93620	2.3
81.07062	86.5
83.04948	2.9
83.08624	11.9
85.06545	7.2
91.05486	39.7
92.83894	2.7
93.07050	100.0
95.04959	7.3
95.08616	67.7
97.06511	7.3
97.10197	4.7
98.21329	9.0
99.08090	9.6
105.07024	23.9
107.08607	49.6
108.50085	2.7
109.06535	4.1
109.10163	35.0
111.08088	3.2
113.09624	3.9
117.07030	18.7
119.08574	22.1
121.09305	4.5
121.10150	62.8
123.08016	3.7
123.11699	29.1
125.09662	4.4
131.08586	32.0
133.10141	30.3
135.11707	69.9
137.09566	3.4
137.13261	5.9
145.10150	24.6
147.11667	20.4
149.09650	3.8
149.13280	31.4
151.11172	5.3
159.11699	27.6
161.13257	7.0
163.11278	3.7
171.11655	3.2
173.13252	21.6
177.12805	3.4
187.14871	6.7
205.15979	3.1
205.19565	17.4
215.17963	61.1
223.14479	3.2
233.19023	91.7
251.17827	3.1
251.20177	5.8
307.22665	6.9
325.24432	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94652	1.3
53.03941	4.4
53.67399	1.4
55.01849	1.4
55.05512	16.8
57.03440	7.3
57.07076	11.0
64.31535	1.5
65.03938	3.7
67.05505	96.4
67.95405	1.3
69.07066	12.6
70.30757	5.7
71.04990	6.4
79.05492	72.6
81.07056	100.0
83.04967	1.8
83.08601	9.7
85.06548	6.8
91.05055	1.1
91.05482	35.3
93.07046	87.3
95.04947	7.0
95.08611	62.7
95.09233	2.3
97.06532	6.4
97.10165	3.4
98.21300	3.2
99.08096	8.3
105.07029	26.5
107.07858	2.9
107.08591	52.1
109.06528	3.9
109.09445	2.5
109.10155	34.4
111.08104	1.4
113.09641	2.8
117.07008	16.9
119.08577	24.1
121.10148	64.9
123.08086	3.2
123.11710	24.2
125.09610	4.4
128.80821	1.5
129.07054	1.9
129.91389	1.4
130.07829	2.0
131.08560	32.3
131.09492	2.0
133.10133	28.1
135.11694	74.3
137.09637	1.8
137.13255	6.3
139.11212	1.8
143.08571	3.0
145.10127	25.9
147.11688	19.5
149.09615	4.8
149.13264	29.1
151.11127	2.4
157.10124	2.4
159.11682	24.8
161.13246	5.1
163.11214	3.6
163.14853	3.4
173.13275	17.1
175.14784	2.5
177.12778	3.3
187.14798	5.5
189.16374	3.5
191.17969	2.4
193.05013	3.2
205.15959	3.9
205.19571	14.0
215.17963	58.6
216.18288	2.1
224.65666	1.6
233.19008	87.3
234.19334	2.0
251.20099	4.9
307.22858	7.0
325.23740	23.6
325.76099	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
50.88276	0.8
52.05558	0.9
52.84658	0.9
53.03941	2.3
55.01869	3.0
55.05515	14.8
55.83859	0.9
57.03439	7.3
57.07081	6.9
65.03926	2.6
67.05507	97.5
69.07063	11.7
69.41483	7.9
71.04999	6.0
79.05496	61.5
79.05896	1.1
81.07059	100.0
83.04990	1.7
83.08627	8.5
85.06535	7.1
91.05484	27.6
93.07050	79.4
95.04991	5.2
95.08611	66.0
97.06525	3.3
97.10163	3.9
98.21442	1.8
99.08088	8.4
105.06371	1.8
105.07037	20.0
107.08598	45.2
109.06529	2.8
109.10159	41.0
109.10921	1.8
111.08074	4.0
113.09632	4.1
117.07024	11.3
119.08581	16.8
121.10151	51.1
123.08070	2.7
123.11720	26.3
125.09613	3.9
129.06998	1.4
131.08572	25.8
133.10135	21.9
135.08090	1.9
135.11697	59.4
137.09627	2.3
137.13254	5.4
139.11186	3.0
145.10123	21.3
147.11673	15.3
149.09663	3.1
149.13268	25.2
151.11205	2.7
151.14844	1.1
153.12737	1.1
159.11708	26.4
161.13234	4.8
163.11174	3.7
163.14824	2.4
165.12798	1.0
173.13275	17.8
175.14825	2.8
177.12738	2.7
187.14825	4.4
189.16357	3.1
191.14381	2.0
191.17993	2.0
205.15919	3.8
205.19518	16.3
213.87015	0.9
215.17964	57.9
233.19009	74.2
235.20688	1.1
251.20114	6.4
255.35576	0.9
273.01208	0.9
293.09625	1.0
307.22650	9.2
325.23810	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
54.91919	1.7
55.01871	2.1
55.05518	10.6
55.14705	1.6
57.07071	3.0
58.54727	1.8
63.60457	1.6
67.05504	11.5
69.03424	4.0
69.07069	16.3
69.51055	1.6
71.04996	2.8
71.08643	16.2
71.11320	2.2
79.05482	7.1
81.07060	23.4
83.08612	3.4
85.06512	2.3
91.05482	6.8
91.48268	1.4
93.07053	10.9
95.04961	5.0
95.08606	17.6
97.06525	6.5
97.10165	2.3
98.21317	1.7
99.07551	2.1
99.08104	20.7
105.07021	9.9
107.08609	9.4
109.06519	23.8
109.10124	6.1
111.08038	2.1
119.08575	6.3
121.06545	7.3
121.10142	6.1
123.08047	2.5
123.11714	1.8
131.08542	4.8
133.10114	2.4
135.08022	5.7
135.11659	2.8
139.11153	5.8
145.10107	4.8
147.11671	4.6
149.13249	2.9
151.11197	1.8
159.11697	1.5
161.13257	1.8
163.11232	3.6
163.14853	1.8
165.12770	47.9
173.13322	2.6
177.12758	8.6
179.14325	2.7
181.15842	11.4
182.28488	1.5
191.14317	3.1
201.12793	2.9
214.07117	1.6
251.16422	4.8
251.23816	3.6
261.22137	19.6
271.20517	3.5
279.23328	5.9
289.21655	40.0
290.22076	2.3
307.22702	100.0
308.23099	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	325.2162
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03936	5.7
55.01859	3.8
55.05517	10.7
57.03438	3.4
57.07065	8.4
67.05507	26.9
69.03408	6.5
69.07072	9.9
69.69661	9.5
74.40635	1.6
79.05495	26.4
81.07063	33.5
83.04976	9.9
83.08603	6.0
83.72798	1.6
85.06545	2.2
88.07617	2.4
91.05482	30.5
93.07050	39.2
95.04360	3.3
95.04973	62.5
95.08602	18.3
97.06541	11.5
105.06388	2.5
105.07034	37.6
107.04966	3.0
107.08595	24.3
109.06525	9.8
109.10162	17.4
109.95724	1.7
111.08092	2.5
111.46529	1.8
113.09620	2.4
115.05444	4.4
117.07023	13.9
119.08590	36.9
121.06522	9.2
121.07264	1.6
121.10150	17.6
123.08005	3.0
123.11675	5.3
128.06230	6.4
129.07002	13.1
130.07761	5.2
131.08565	18.9
133.06512	3.1
133.10118	17.6
135.08086	9.6
135.11729	10.4
137.05971	3.3
141.06978	6.5
142.07791	15.6
143.08582	18.7
144.09299	6.4
145.06465	4.9
145.10133	32.7
147.08060	9.9
147.11655	5.7
149.02353	10.7
149.09595	5.8
149.13280	2.4
153.06981	3.1
154.07751	3.0
155.08536	8.3
156.09367	12.6
157.10115	30.0
158.07263	3.3
159.08081	5.9
159.11691	20.0
160.08855	2.1
161.09589	10.5
161.13226	4.0
163.11256	2.8
165.07025	4.7
166.07916	2.0
167.08557	5.6
168.09354	4.4
169.10124	20.0
170.10861	2.2
171.11719	22.0
173.09651	12.3
173.13242	6.8
175.11139	3.2
179.08528	6.8
180.09351	5.4
181.10144	14.0
182.10919	7.1
183.08113	2.1
183.11717	13.5
185.09622	9.9
185.13199	6.6
187.11156	8.9
187.14835	5.6
189.12761	3.0
191.14404	3.1
192.09348	5.4
193.04985	13.1
193.10124	10.2
194.10872	7.3
195.08023	3.1
195.11702	14.2
196.12471	6.3
197.09654	2.3
197.13281	10.9
199.11183	8.8
199.14845	2.8
201.12715	2.9
203.14262	3.7
205.10112	2.2
205.15999	2.7
206.10880	4.1
207.11728	10.5
208.12474	8.0
209.09650	2.6
209.13223	11.4
210.10335	1.9
210.13934	2.5
210.64079	5.4
211.11147	2.3
211.14812	6.1
213.16319	1.9
215.17966	3.3
218.10959	2.9
219.11714	2.2
221.13339	7.3
222.13892	2.4
223.11263	2.4
223.14798	16.0
224.65710	2.6
225.12740	6.6
225.16235	9.4
228.23215	3.9
233.13281	4.0
233.18987	4.8
237.16405	5.9
239.14270	3.2
239.17986	3.2
241.15930	7.3
249.16425	5.2
251.14351	6.4
256.26346	2.3
263.17865	3.3
265.15933	2.0
267.17453	5.3
269.15274	14.6
279.21072	5.7
281.18881	2.1
297.22104	4.7
307.20404	16.2
325.21585	100.0
325.26025	24.7
325.76312	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	325.1071
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
53.03942	1.6
55.01868	3.0
55.05515	2.6
55.57091	1.2
67.05515	2.2
68.05032	6.8
69.05812	16.6
69.87327	7.9
70.06140	1.4
70.06593	1.7
70.94405	1.3
71.05006	2.3
79.05496	5.2
81.07079	2.9
84.04516	2.1
85.01116	1.8
86.42072	1.3
88.01498	1.4
89.02245	1.4
91.05479	10.5
93.07092	1.6
95.08607	3.2
98.20682	1.7
98.21288	3.9
102.03774	1.9
102.04727	2.1
103.05491	5.2
104.03371	1.3
105.07064	3.8
107.04973	4.2
107.08608	4.8
109.06580	1.6
115.05485	6.2
116.05317	17.8
117.05669	1.4
117.07059	2.1
118.04913	13.2
119.04919	6.4
119.08634	1.9
120.08121	11.7
121.06511	2.1
122.03677	2.3
128.05066	1.7
130.04156	1.9
130.05043	4.5
130.06555	4.7
131.04950	3.1
134.03658	2.4
135.01004	3.5
135.04448	3.0
137.05983	26.4
141.03387	1.5
143.04948	2.3
145.06535	6.2
146.05992	2.0
147.04439	3.4
147.07695	2.4
149.05948	7.0
149.13289	3.8
150.05653	1.3
150.06807	3.7
151.03964	3.1
158.03673	8.3
163.03951	6.8
165.06972	8.1
166.07790	1.9
168.05800	1.5
173.05943	9.1
175.03943	3.2
176.06271	5.8
177.05537	2.7
177.06976	16.8
178.04861	3.0
178.07901	2.4
179.14499	1.2
185.02400	1.5
186.03143	26.7
186.04723	1.9
187.03426	1.8
189.07030	3.0
191.08559	1.4
193.06461	6.2
194.07297	17.6
194.19109	1.4
195.08070	2.5
200.04807	1.8
201.05452	40.4
201.07083	2.6
203.07057	3.2
204.05765	4.3
205.06511	43.5
206.07303	4.1
207.08081	2.3
209.09483	1.7
211.07674	4.4
217.06589	2.1
218.07314	1.9
219.08096	7.1
221.05977	19.9
221.09596	2.9
222.06786	31.0
223.07574	3.3
224.05013	2.0
227.07101	4.0
232.05290	3.1
233.05986	47.4
234.06776	11.1
235.07668	2.9
236.04807	2.7
236.08447	2.6
237.09122	25.6
237.11340	1.9
239.07040	6.2
247.07573	6.7
249.05519	19.3
250.06265	39.6
250.08698	2.3
251.06915	6.4
253.08708	2.5
254.05698	1.3
254.09506	2.1
260.04721	1.4
261.05499	6.7
262.06244	1.9
264.07892	19.2
265.08603	52.9
266.09454	4.9
267.06531	9.6
275.06952	3.2
277.05118	9.5
277.08115	1.7
278.05737	23.4
278.08533	1.8
279.07233	2.0
279.10138	9.1
281.08124	2.6
282.08929	8.0
292.03976	1.9
292.07291	46.6
293.08081	77.9
294.08847	3.0
295.06149	6.0
297.11200	10.9
300.95319	1.5
307.09668	100.0
308.10181	2.1
309.07410	1.6
310.08282	7.1
325.10834	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
65.03943	0.4
67.05504	1.7
71.04672	0.5
73.30597	0.2
77.78035	0.2
79.05510	0.3
94.06571	7.6
106.06564	2.8
117.09071	0.3
122.06041	6.4
124.07578	0.3
133.07646	0.4
133.19258	0.2
134.06021	2.9
134.35950	0.2
136.07607	1.3
138.05583	0.3
148.03934	1.7
149.07118	3.9
150.05515	100.0
151.05933	0.8
151.08676	3.2
152.07085	2.4
161.07156	1.2
162.05479	0.4
163.03934	0.6
168.06549	2.4
177.06487	0.6
178.07417	0.3
179.08173	1.8
189.06613	1.0
192.86691	0.2
196.95093	0.2
197.39507	0.2
207.07671	0.6
217.06123	0.9
233.05586	1.0
251.06691	0.5
325.10339	3.5
331.72391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03946	1.9
55.01862	0.3
55.05518	0.2
57.03425	1.1
63.02383	0.4
67.05496	0.4
69.03429	5.0
69.83868	0.8
69.84288	0.7
70.06595	0.3
71.04977	1.0
73.02915	0.5
79.05474	1.0
81.03418	17.7
85.02431	0.4
85.02908	5.2
87.79726	0.3
89.03915	6.7
91.05473	0.4
95.04940	0.4
97.01234	0.3
97.02879	1.1
99.03877	0.3
99.04466	1.8
107.04948	2.3
109.02880	6.6
112.92249	0.3
117.03379	9.0
119.04941	0.3
119.08580	0.3
120.08117	0.8
122.07201	0.3
127.03895	1.7
135.04417	19.2
137.05945	0.3
145.02852	13.5
150.05472	0.5
154.06903	0.3
163.03905	100.0
164.04265	1.2
181.04956	2.3
201.05420	0.5
205.06474	0.6
222.06871	0.4
233.06012	0.5
237.09209	0.6
250.06314	0.6
261.22614	0.3
265.08929	0.4
292.07315	0.7
293.08069	0.9
307.08063	16.9
308.08429	0.4
325.06555	0.4
325.10049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01873	1.0
55.05506	1.8
55.88256	0.4
56.05038	0.5
57.05805	0.4
57.07091	0.4
58.06585	0.4
66.68163	0.5
67.05510	5.1
69.07069	10.4
70.69635	1.5
72.43087	0.4
79.05494	4.1
81.07055	8.3
83.04988	3.7
84.08162	0.6
85.06651	0.4
86.09706	100.0
91.05482	10.4
91.05987	0.3
93.07045	13.7
95.04969	3.0
95.08607	2.5
97.06528	0.5
105.07034	15.3
107.08611	4.0
109.06512	8.8
109.10134	1.8
111.08089	2.9
116.06158	0.4
117.07030	0.7
119.08578	5.6
121.10154	1.6
123.08075	1.1
128.10707	6.2
129.07001	1.1
131.08583	4.4
132.10208	32.4
133.06490	1.1
133.10129	18.9
135.08112	0.7
147.11685	13.0
149.09647	1.9
149.13266	1.3
151.07596	2.5
151.11183	43.5
156.10263	1.3
165.12769	2.8
175.11153	3.6
192.13922	0.6
193.12253	4.5
210.14880	0.8
222.15062	0.7
239.04726	0.5
260.20065	7.5
264.19504	0.9
278.21143	26.7
279.21658	0.7
301.07422	0.8
306.20657	6.0
324.21719	15.6
325.21893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1958
Annotation	CW 69D
Peak:m/z	Relative Intensity
51.66316	0.9
53.03970	1.0
55.01847	0.9
55.05516	7.5
57.15196	0.8
67.05492	3.6
69.07072	9.0
69.62023	2.7
69.62436	3.5
72.08177	1.1
73.06564	1.0
78.59258	0.9
79.05490	6.3
81.07058	5.7
83.04978	1.1
91.05485	4.8
93.07035	5.2
95.04971	1.8
95.08608	3.0
97.06513	1.5
97.10190	1.1
98.20681	1.2
98.21272	3.2
105.07041	4.2
107.08582	1.1
117.05783	1.8
117.07032	1.0
118.06558	1.4
119.08611	2.2
121.10126	1.5
128.06320	0.9
129.07014	2.7
130.06526	21.7
131.07315	5.0
131.08510	1.6
132.08073	3.2
133.10112	3.0
144.08078	18.3
147.11659	1.7
154.06528	3.1
155.07289	13.6
155.08429	1.8
156.08067	2.7
157.10146	1.0
167.07312	19.6
167.08569	1.7
168.08086	57.8
169.08810	2.9
170.09645	2.1
176.40250	0.9
176.85617	1.0
180.08083	32.2
181.08871	12.7
182.09637	14.7
183.10507	1.0
193.08864	2.9
193.12291	1.3
194.09665	12.5
195.10414	7.8
196.11214	9.2
206.09593	2.3
207.10410	0.8
207.13766	1.4
207.57448	0.9
208.11189	4.5
209.11978	2.2
278.18927	1.5
306.18491	11.2
322.18460	0.9
324.19562	100.0
325.19836	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1957
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
51.02375	0.2
53.03943	0.6
60.99559	0.2
69.07052	0.3
70.46661	0.7
77.03940	0.3
79.05493	17.8
81.07044	0.2
90.10509	0.2
91.05475	0.7
93.07044	1.4
95.04964	0.7
95.08586	0.2
98.20936	0.3
103.05470	39.6
104.05774	0.3
105.04554	0.4
105.07028	2.9
107.04955	19.9
109.10195	0.2
118.06536	5.3
118.07345	0.4
119.07313	0.2
119.08607	0.2
121.06487	1.1
121.10122	0.2
130.06497	0.2
131.04930	12.4
132.08080	2.1
133.08842	1.0
134.09671	0.6
146.09650	2.0
147.10492	0.2
149.05992	0.6
154.00616	0.2
160.11232	0.8
175.06432	0.2
176.04446	0.2
176.14348	48.4
177.14671	0.6
189.15112	0.4
190.08752	0.4
204.10188	0.2
207.06563	0.4
218.11806	0.3
233.14127	0.5
248.76593	0.2
266.11783	0.3
280.13187	0.4
281.14026	0.2
283.06241	0.2
301.07315	0.8
324.19565	100.0
325.19901	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.123
Annotation	(-)-Eschscholtzine
Peak:m/z	Relative Intensity
53.03934	0.5
55.01873	1.5
55.05509	0.4
65.03931	0.4
65.79036	0.2
67.01855	0.3
67.05498	0.5
68.99792	0.5
69.07055	0.3
69.55904	0.5
69.56313	1.0
70.95852	0.3
72.93778	0.6
79.05488	2.5
81.07043	1.1
86.09731	0.2
90.94837	0.3
91.05478	5.5
93.07018	1.1
94.05750	0.2
95.04971	0.8
95.08591	0.4
97.02906	0.2
97.06507	0.3
98.21502	0.4
103.05469	3.3
105.07030	9.0
106.07326	0.5
107.04941	0.5
107.08596	0.7
107.59554	0.2
108.05741	0.4
109.06525	4.8
115.05460	4.0
117.07010	2.3
118.04179	1.4
118.06551	2.3
119.04947	5.5
119.08572	0.3
121.06485	0.7
121.10180	0.3
123.04448	0.9
123.08064	1.7
130.06532	3.6
131.04935	1.6
133.06491	6.3
133.10136	0.3
135.04388	0.3
135.08028	0.7
136.05211	0.7
137.05980	1.7
145.06477	1.7
146.03625	1.9
147.04408	6.4
148.05251	0.3
150.61922	0.2
151.07533	3.3
155.29689	0.2
159.04353	0.5
161.05988	8.8
162.06342	0.5
163.07594	0.5
164.04726	1.3
164.99879	0.2
165.05492	0.3
172.99007	0.3
174.03094	0.9
175.03899	1.0
177.05446	0.4
179.07043	2.4
189.05455	2.9
192.04169	1.7
207.06531	100.0
208.06914	2.0
227.03590	0.3
232.17751	0.3
265.05157	0.4
278.76895	0.2
283.06262	4.3
288.10156	0.2
301.07373	0.9
306.07935	0.3
306.11258	4.1
324.08176	1.2
324.12283	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	323.2579
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03936	4.7
55.01860	4.1
55.05511	35.2
56.96552	2.1
57.03444	2.3
57.07079	27.7
59.04998	5.6
59.05289	2.0
60.98515	1.8
67.05504	54.8
69.03428	13.5
69.07070	87.0
70.14828	9.7
70.58910	1.9
71.04983	9.0
71.08632	5.7
79.05495	24.0
81.03400	2.9
81.07060	100.0
83.04982	3.6
83.08141	3.8
83.08620	68.7
84.04507	2.3
84.08144	6.2
85.06531	5.8
86.09687	3.0
91.05476	25.0
93.07043	64.4
95.04981	22.9
95.08607	83.9
97.06526	8.2
97.10196	17.3
98.97588	3.2
99.08093	4.2
105.06374	3.6
105.07029	43.0
107.08593	62.2
109.06516	11.8
109.10160	73.4
111.08064	11.5
111.11694	5.1
113.06009	3.4
115.05418	2.5
117.07030	7.0
119.08582	35.5
121.06521	5.4
121.10146	44.2
122.10512	2.5
123.08057	5.3
123.11706	23.3
125.05931	3.0
125.09592	4.0
129.07051	2.2
130.06488	3.7
131.08606	13.8
133.06509	4.8
133.10135	54.8
135.08017	3.6
135.11681	22.7
137.05991	3.5
137.09616	58.9
137.13264	10.1
139.11165	6.2
143.08533	4.9
145.10091	5.9
146.07257	4.2
147.08063	12.6
147.11691	24.1
149.09680	10.2
149.13258	26.5
151.11169	7.8
151.14769	3.4
153.09106	3.6
155.10654	2.9
157.10103	6.7
159.11716	5.1
161.09621	49.1
161.13261	7.0
163.11198	6.3
163.14774	5.7
165.09099	35.9
165.12694	3.0
167.10677	16.6
167.14334	3.4
171.11734	2.9
173.01129	2.0
173.13213	4.9
175.11177	12.2
175.14835	11.9
177.00731	2.8
177.16321	6.2
179.10669	26.9
179.18037	2.2
181.12221	5.5
183.10094	2.3
185.13206	2.4
189.16338	6.7
191.17924	3.4
193.12216	14.6
193.15883	5.0
203.14288	2.5
203.17996	3.8
207.13716	2.9
209.19051	4.5
211.13390	3.3
213.16389	5.1
221.15355	2.6
229.19424	2.5
231.17468	3.5
235.17068	2.9
245.22699	15.5
248.08159	2.4
249.18521	6.0
259.17026	2.4
259.24155	9.4
261.25519	3.2
263.23767	3.4
269.22607	6.3
277.25165	3.2
287.23740	19.9
291.10263	5.1
305.17346	3.2
305.21173	3.3
305.24716	28.3
323.12753	4.1
323.17899	3.9
323.25830	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	[8]-Gingerol
Peak:m/z	Relative Intensity
53.03941	2.7
55.01863	3.9
55.05283	1.6
55.05514	13.3
57.03444	11.3
57.07074	11.3
59.04996	2.2
62.64781	1.5
65.03933	3.1
67.05507	75.2
69.03429	4.7
69.07070	30.5
71.04990	4.3
71.57622	2.2
72.08132	2.9
73.08540	1.5
79.05499	37.3
81.03408	2.2
81.06576	2.4
81.07059	48.5
82.07360	1.5
83.04974	6.4
83.08611	4.8
85.06523	6.1
91.05479	25.5
93.07043	32.7
95.04952	8.5
95.08611	29.7
97.02873	2.3
97.06527	11.7
97.10168	1.6
99.08096	4.8
105.07030	18.6
107.08586	25.5
109.06507	8.0
109.10160	22.0
111.04444	3.4
111.08080	1.8
113.40263	1.6
117.07047	2.9
119.08594	14.5
119.60925	1.5
121.06493	5.1
121.10143	16.3
123.04446	2.5
123.08054	4.0
123.11733	4.6
125.05994	4.7
125.09631	2.0
128.06209	2.0
129.07004	3.1
130.06549	1.6
131.08565	5.3
133.10147	20.2
135.08052	3.2
135.11714	8.5
137.06001	8.0
137.09631	6.0
139.11278	2.0
139.24536	1.6
143.07027	6.1
143.08575	2.2
145.10153	4.6
147.08128	2.1
147.11699	11.8
149.09608	5.2
151.07558	5.3
151.11180	5.7
153.09071	1.9
155.08650	1.7
157.10165	3.0
161.09668	4.0
161.13307	4.7
163.11177	3.4
165.09148	1.8
165.12758	2.0
167.10661	4.7
169.10149	1.7
171.11707	4.0
175.11237	2.5
179.10716	3.4
180.11433	4.1
189.12730	3.0
193.12245	4.5
203.17999	5.4
213.16313	3.1
221.15364	4.7
225.14885	6.8
231.17500	6.8
249.18501	3.5
277.21631	5.3
295.22794	4.3
305.21103	46.0
323.22205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62908	2.4
53.03933	3.4
55.05516	18.0
57.03426	7.7
57.07074	2.6
65.03917	2.8
67.05503	33.7
69.03436	3.1
69.07076	12.5
69.92430	8.6
71.04993	6.1
79.05492	51.8
79.05946	2.5
81.07058	42.9
82.58578	2.0
83.08607	7.6
85.06537	8.0
91.05479	59.9
93.07051	64.6
95.04951	2.3
95.08611	27.7
97.06538	5.6
98.21204	6.5
99.08090	4.4
105.07034	72.5
107.08596	46.1
109.06500	2.5
109.10159	13.3
117.07037	9.1
119.08583	71.9
121.10146	42.6
123.08099	2.2
123.11720	3.9
128.06233	2.4
129.05490	4.0
129.07001	14.7
129.77962	2.3
131.08566	20.4
133.10135	100.0
135.08052	5.2
135.11674	33.7
137.09669	2.9
143.08543	13.1
145.10129	28.8
147.08018	3.8
147.11691	91.5
149.09607	6.0
149.13261	9.5
151.11241	3.0
157.10146	21.3
159.11745	12.3
161.09624	3.7
161.13261	8.6
163.11218	2.3
168.85585	2.2
171.11717	25.6
173.13251	6.1
175.11191	5.5
175.14929	3.6
185.13231	9.0
187.14821	12.9
189.12740	8.1
189.16374	31.5
203.14313	8.6
203.17921	22.4
210.73178	2.1
213.16386	69.0
231.17442	87.2
249.18582	18.6
305.21173	13.0
323.22214	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01885	3.3
55.05507	20.9
57.03433	10.1
57.07063	2.5
67.05502	35.8
69.03436	3.1
69.07062	12.8
69.99716	2.4
70.77116	3.0
70.77448	4.9
71.05016	5.1
71.08640	5.3
75.04453	2.7
76.10442	2.7
77.12934	2.1
79.05047	4.1
79.05492	50.5
81.07059	42.4
83.08614	9.4
85.06527	9.2
87.76407	2.5
91.05482	58.8
93.07053	71.0
95.04973	7.7
95.08614	30.3
97.06523	4.5
99.08100	9.2
100.11252	2.9
105.07032	60.2
107.08596	40.6
109.06542	3.5
109.10165	13.9
117.07056	11.8
119.07785	4.5
119.08586	63.3
121.06493	3.4
121.10159	38.2
128.06221	4.6
129.05508	3.4
129.06992	13.8
130.06558	4.0
131.08583	28.4
133.10141	100.0
135.08047	7.2
135.11700	31.4
137.09579	2.8
143.08621	16.0
145.10139	24.8
147.11688	72.9
149.09633	6.6
149.13249	7.8
151.11214	3.4
157.10150	17.5
159.11734	12.9
161.09634	4.8
161.13272	8.4
163.11183	2.7
171.11682	25.9
173.13329	6.4
175.11227	7.5
185.13234	10.1
187.14832	11.0
189.12746	4.1
189.16347	21.5
201.43185	2.4
203.14296	6.3
203.17935	22.2
211.11243	2.7
213.16389	71.1
231.17456	75.0
249.18542	11.7
305.21237	6.1
318.05307	2.7
323.22424	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01870	10.9
55.05515	31.1
56.93338	3.2
57.03437	24.7
57.07058	3.1
59.05013	3.4
65.03922	3.9
67.05509	78.7
69.03439	5.4
69.07068	53.4
71.04995	8.4
71.08634	23.9
71.18781	7.2
71.30302	3.5
79.05492	56.9
81.03394	5.3
81.07055	70.7
83.04984	7.4
83.08636	29.7
85.06535	4.9
91.05478	60.9
93.07043	73.5
95.04989	18.9
95.08618	43.2
97.06516	17.8
99.08096	21.5
105.07036	46.5
107.04977	5.7
107.08594	44.2
109.06535	13.9
109.10156	25.6
111.08132	5.1
117.07013	9.7
119.08575	47.6
121.06487	5.6
121.10137	31.8
123.08054	8.0
123.11731	6.7
129.07001	10.7
131.08580	16.2
133.10127	57.8
135.08076	10.3
135.11707	27.9
137.09616	63.5
139.11176	5.6
140.98488	3.9
143.07024	6.6
143.08598	9.2
145.10104	17.0
147.11699	39.3
149.09641	8.4
149.13255	5.3
151.11189	14.9
153.12775	4.8
157.10141	10.1
159.11679	8.6
161.09558	6.2
161.13260	4.7
163.11241	7.4
171.11729	15.2
173.11830	6.2
173.13249	5.6
183.10162	9.9
185.13158	4.7
186.05522	3.4
189.00618	4.1
189.12766	4.1
189.16449	8.9
192.99945	3.4
203.14357	4.2
203.17894	18.1
211.07695	3.7
213.16368	26.7
231.17448	39.9
233.18828	4.0
249.18509	18.7
261.18533	20.2
305.21127	13.2
323.18744	7.8
323.22232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20053	1.8
55.01863	2.8
55.05509	2.0
56.05038	2.8
57.03451	2.1
58.87408	2.2
59.21205	1.9
60.04521	2.6
61.01129	2.4
61.02922	3.0
67.05527	2.2
68.05014	2.3
69.03423	5.5
69.07098	3.0
70.06595	16.9
71.57435	2.3
71.57844	2.0
72.08152	6.2
74.06084	2.5
81.03438	4.9
81.07038	2.0
83.06111	5.7
84.04514	15.2
84.08146	21.2
85.02904	17.7
86.09713	24.0
87.04420	2.0
88.03977	5.9
89.03928	7.1
91.05491	13.3
95.04918	2.3
97.02880	4.4
101.07158	3.7
102.03804	2.4
105.03385	4.9
105.07030	6.9
107.04973	10.4
109.02863	2.3
113.22781	2.0
116.07088	2.5
117.03372	21.0
118.06563	3.2
119.04939	32.1
119.06847	2.8
120.08054	3.6
121.06517	2.4
123.04504	2.4
127.03976	2.8
129.06589	13.9
129.10240	6.8
130.04994	6.6
131.04944	6.1
133.02899	9.3
133.06488	13.4
134.05920	3.2
135.04385	4.3
135.08087	2.5
137.05974	3.7
145.02852	60.1
146.06007	23.7
147.04428	94.5
147.06310	26.0
149.05981	18.0
149.07346	7.6
161.02167	30.7
161.05969	13.6
161.07123	7.2
162.05547	8.5
163.03957	8.0
164.07211	3.2
165.06932	5.3
171.04424	3.4
177.05475	100.0
179.03438	4.0
183.13278	2.2
185.04227	40.6
187.03899	6.3
189.05476	25.1
193.06505	3.8
199.03960	5.1
203.05330	13.3
217.04976	24.8
221.06032	7.4
225.00461	3.0
231.08040	2.3
235.07762	2.3
241.13960	1.8
249.05562	10.5
259.16550	3.5
262.11124	3.9
263.05530	20.4
263.10318	2.3
277.04953	7.2
279.06125	2.5
291.10150	2.3
295.06540	10.7
295.09238	3.1
323.07867	27.8
323.11731	4.8
323.16394	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	323.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49213	1.6
55.01863	3.2
55.05505	2.6
56.05019	3.6
57.03447	1.9
58.06596	1.5
61.02915	4.8
65.03909	2.0
67.05502	3.2
69.03429	8.3
70.02954	1.6
70.06599	15.9
70.12238	5.6
72.08143	3.8
73.02905	2.5
74.06071	2.3
80.17445	1.7
80.64913	1.7
81.03398	5.1
81.07077	2.2
83.06097	3.4
84.04504	14.3
84.08146	15.1
85.02901	14.7
86.06116	2.0
86.09702	16.8
88.03997	4.3
89.03909	6.4
91.05479	12.8
93.07064	3.1
95.04929	2.5
97.02897	6.4
99.33541	2.0
101.07104	1.8
102.05524	2.4
103.05481	2.9
105.03363	5.2
105.07027	5.1
107.04956	9.0
109.02876	2.3
110.07187	3.4
116.35970	1.7
117.03371	23.6
119.04948	19.4
119.06894	2.3
120.08088	3.9
121.02834	1.8
121.06537	4.2
123.04407	1.8
127.03953	2.7
129.06566	8.4
129.10237	7.8
130.04990	5.8
130.06470	2.2
131.04912	5.0
131.08519	1.8
133.02841	6.4
133.06471	6.4
134.03613	2.9
135.04401	5.2
137.05984	5.5
145.02835	43.0
146.06013	18.2
147.04427	63.7
147.06328	24.2
147.07570	2.9
148.03917	3.0
149.05983	22.1
149.07315	5.7
160.04228	2.2
161.02135	30.4
161.05942	7.8
161.07056	4.2
162.05496	6.9
163.03897	6.3
164.07037	2.3
165.07034	3.2
166.05048	2.2
177.05466	100.0
179.03458	2.6
185.04202	39.7
185.05763	2.8
187.03949	4.2
189.05505	16.2
193.06429	2.0
197.05844	1.8
199.03893	4.1
203.05272	13.2
205.04855	2.5
216.12161	1.8
217.04953	15.5
221.06027	7.1
221.63815	2.1
225.00569	2.2
232.05885	1.8
239.06927	2.4
249.05461	6.7
249.08064	1.6
252.97931	2.5
262.11066	5.1
263.05402	12.4
267.06531	2.7
277.04956	6.9
277.08823	2.1
279.06299	3.0
291.10214	2.1
295.06363	9.5
305.11328	3.1
323.07697	41.1
323.12256	4.1
323.16324	4.0
337.08188	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
56.96563	20.0
61.02935	7.9
69.03436	10.9
70.06577	4.3
70.98102	5.4
71.57198	4.8
80.95438	10.7
84.91193	10.2
85.02900	13.5
97.02898	9.5
98.97580	25.6
116.98640	13.9
119.01926	6.7
121.01678	8.8
128.98651	9.7
131.01888	4.6
133.03458	5.4
134.99672	6.2
139.91495	5.3
143.01971	9.1
145.02834	10.2
146.99570	7.5
150.99213	9.8
161.02025	25.6
163.03908	7.4
170.99683	7.2
173.03044	7.6
177.00732	8.9
177.05516	4.8
178.75711	4.8
185.04234	50.7
189.00751	8.2
191.04022	5.7
193.00209	8.5
202.98515	5.5
203.02145	7.3
203.05269	22.8
207.01605	5.3
220.06924	11.2
220.99734	8.0
221.03133	23.9
225.03075	6.9
230.98248	7.7
232.99774	9.0
233.03120	6.3
251.00859	6.6
251.04300	4.3
263.00623	8.7
273.02884	6.2
277.98050	4.6
281.01733	8.0
281.04984	7.6
305.03342	14.4
316.82910	4.6
323.07449	100.0
323.11804	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	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38063	0.4
53.03946	1.0
55.05512	6.1
57.07079	1.0
60.04550	0.4
62.06092	100.0
65.03927	0.8
67.05508	16.9
69.07074	4.4
69.07404	0.4
69.62611	1.0
69.63022	1.8
71.05003	0.7
79.05496	12.2
81.06579	0.8
81.07059	14.5
83.08634	1.7
91.05482	4.6
91.05911	0.4
93.07045	14.6
93.07618	0.7
94.09978	0.4
95.03449	0.4
95.04997	1.1
95.08608	11.0
97.06549	0.8
99.04491	0.8
105.07034	2.6
107.08596	6.4
109.06503	0.4
109.10170	4.1
117.07041	1.3
119.08593	2.4
121.10161	5.9
123.08229	0.4
123.11749	1.5
130.55046	0.4
131.08598	1.6
133.10175	1.9
135.11700	2.4
137.13295	0.5
145.10167	1.5
147.11757	1.0
149.13245	2.1
155.07239	2.3
159.11751	0.7
161.13231	0.8
163.14871	0.8
173.13312	1.1
177.16385	0.6
206.16914	0.4
243.21202	0.5
250.84268	0.5
261.22244	1.3
304.26538	0.8
305.24774	19.9
322.14658	0.5
322.18164	1.0
322.27432	12.8
322.30957	0.8
338.89966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2742
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
51.09995	0.4
53.03939	0.8
55.05288	0.5
55.05513	4.6
57.07065	1.0
57.83946	0.4
60.04529	0.6
62.06094	100.0
63.71104	0.4
65.03931	0.8
67.05509	16.0
69.07083	3.5
69.61047	2.9
78.15297	0.4
79.05060	0.8
79.05500	10.2
81.07064	17.7
82.31502	0.4
83.08601	2.1
87.65099	0.4
91.05040	0.4
91.05491	4.9
93.06462	0.8
93.07050	13.2
95.04964	0.5
95.08614	14.0
97.06551	0.5
97.10178	0.8
98.06052	1.1
99.04475	0.7
105.07035	3.6
107.08599	7.2
109.10165	5.3
116.54595	0.4
117.06993	0.9
119.08578	2.5
120.12650	0.5
121.10144	5.2
123.11700	3.2
130.68900	0.4
131.08582	2.5
133.10123	1.9
135.11726	3.7
137.13255	1.3
145.10141	1.7
147.11703	1.3
147.79877	0.4
149.13287	3.1
151.14856	0.7
159.11702	1.3
161.13240	1.6
163.11205	0.6
163.14803	1.7
172.13297	0.6
173.13271	1.1
177.16394	1.0
186.14926	0.6
187.14841	0.9
198.14877	0.5
240.19562	1.1
243.21072	1.9
252.19704	0.5
261.22189	3.9
304.26349	1.7
305.24652	2.5
307.74481	0.5
322.23660	0.6
322.27466	12.5
322.31015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2013
Annotation	Lycoposerramine N
Peak:m/z	Relative Intensity
51.02378	2.2
53.03941	2.2
53.13284	1.8
55.01864	5.0
55.05502	6.1
56.05032	3.9
57.03413	2.0
58.06592	3.6
59.91079	1.5
60.04527	3.1
66.14958	1.6
67.05499	11.3
69.07069	67.3
70.06588	4.2
71.22547	2.6
73.06557	8.4
79.05497	37.5
80.05038	3.0
81.03403	4.0
81.07060	26.2
82.06575	3.8
84.04492	2.8
84.08147	2.4
91.05481	21.8
93.07059	20.1
95.04957	6.9
95.08608	10.0
96.04496	10.0
96.08148	2.1
97.06532	17.4
105.07030	13.6
106.06569	2.6
107.04964	6.2
107.08599	15.0
108.08154	1.9
109.06534	3.7
109.10155	3.0
110.09686	3.4
112.07569	1.7
115.07552	2.4
117.07005	9.8
119.08588	25.1
121.06497	2.6
121.10176	9.7
122.09659	7.6
123.08067	1.9
125.06033	3.0
128.06218	2.1
129.07048	5.1
131.08577	11.3
132.08096	3.2
133.09036	1.9
133.10124	4.2
134.09650	10.9
135.08058	12.0
136.11183	2.0
137.05986	2.9
138.12799	14.7
143.07051	29.0
143.08545	7.2
145.10110	4.0
146.09631	3.0
147.08043	19.3
147.11604	1.7
148.11212	4.3
149.09688	3.0
152.10713	10.2
157.10107	9.8
159.08067	1.9
159.11662	2.0
161.08078	6.7
161.09575	4.1
162.09163	2.4
162.12766	2.5
163.07585	2.9
164.10718	5.1
171.11674	3.6
176.10744	4.7
177.09161	2.7
180.10216	14.9
180.13835	5.8
183.11720	2.1
189.57791	2.2
190.12315	3.5
194.11816	2.8
195.10168	17.7
197.13245	1.9
198.11269	10.1
199.14871	15.9
216.17535	4.2
217.15904	2.7
221.11734	2.5
227.14288	3.0
244.17004	5.1
245.15398	12.4
260.19940	3.6
262.18027	17.6
263.16428	34.6
280.19083	27.4
304.19180	5.4
322.20169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
54.04079	1.9
55.01638	2.1
55.01874	7.8
55.05499	6.9
57.03429	9.4
66.99066	2.5
67.05494	8.5
69.03427	8.5
69.07063	5.1
69.85535	3.5
69.85948	7.9
70.06583	8.9
72.08147	2.1
77.85642	1.8
79.05491	21.3
81.03417	5.1
81.07055	33.9
83.05006	3.1
84.04495	5.7
84.08140	5.4
85.02905	9.4
86.09698	4.9
91.05481	13.0
93.07037	11.6
95.01326	12.4
95.04964	12.3
95.08637	2.0
97.06522	17.8
103.05441	1.9
105.07027	5.8
107.04952	7.2
107.08632	4.3
109.06514	19.5
109.75848	2.0
113.02375	4.7
117.07004	3.3
119.08572	11.3
120.08109	3.0
121.02886	2.8
121.06518	5.8
123.04417	3.4
123.08032	3.1
125.06000	3.8
129.06989	4.1
130.06531	16.7
131.04811	2.2
131.06940	3.0
131.08585	4.2
133.06459	3.5
135.08041	5.2
137.05983	6.3
137.09590	2.2
139.03903	8.6
141.01852	4.2
141.05437	2.9
146.06018	10.7
146.10603	1.9
147.08075	13.2
147.11726	2.3
149.06003	3.7
151.03874	3.2
151.07480	3.2
154.06499	4.9
155.06958	3.6
163.07562	11.1
165.09119	21.6
167.07153	3.8
175.07539	2.6
177.05540	2.8
181.08653	8.6
182.06038	6.8
183.06516	2.9
183.10190	7.3
184.06682	3.2
191.07103	4.8
193.08591	21.4
195.06490	2.2
197.04491	7.8
209.08055	10.2
211.09697	21.6
225.07590	5.5
227.09154	8.0
228.38649	2.5
237.07541	10.7
244.08673	4.8
255.08650	100.0
273.09564	11.6
273.77774	2.3
322.16354	3.9
322.20615	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	322.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84236	2.4
55.01864	8.2
55.05505	5.0
57.03417	6.9
60.03319	2.0
67.05494	6.0
68.05024	2.1
69.03423	10.2
69.05807	6.7
69.07060	6.3
70.06591	2.6
70.87589	5.9
79.05484	25.1
81.07059	28.7
83.04993	3.6
84.04509	36.2
85.02895	7.6
91.05482	12.8
93.07038	10.4
93.32774	2.4
95.01341	14.8
95.04974	9.5
97.06528	20.2
98.00594	2.2
98.21252	3.4
101.07148	2.6
103.92368	2.5
105.07029	3.7
107.04935	4.2
107.08585	3.2
109.06520	24.6
111.08110	2.8
116.05319	41.0
117.06995	4.2
119.04939	4.7
119.08573	9.3
121.06494	5.7
123.04421	3.5
123.08023	3.8
125.05979	5.1
129.07016	3.1
130.05003	21.4
135.08037	6.7
137.05965	7.3
137.09496	2.6
139.03923	9.8
139.35306	2.4
140.38632	2.2
141.01791	4.0
147.04422	3.3
147.08046	12.3
155.06998	2.4
163.07529	8.2
165.09128	19.9
167.06950	4.4
181.08595	7.3
183.10219	3.2
186.38490	2.2
191.07034	5.3
193.08611	23.7
197.04463	7.5
199.09665	17.3
209.08121	13.4
211.09598	14.7
219.06445	2.1
227.09126	11.1
237.07584	8.0
255.05946	4.9
255.08635	100.0
273.09811	5.3
280.79831	2.4
287.05115	3.2
322.08578	4.8
334.31305	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07129	2.0
53.03941	3.6
53.83027	2.1
55.01858	6.8
55.05502	5.5
57.03423	5.4
60.41027	2.2
65.03949	2.5
67.05479	7.7
69.03427	10.1
69.07069	8.4
70.06601	13.3
71.01344	3.3
79.05492	33.7
81.03423	5.4
81.07063	47.1
83.04991	4.0
84.04497	7.7
85.02891	7.6
86.09659	2.8
91.05466	15.1
93.07052	11.5
95.01331	13.1
95.04967	8.2
95.08647	3.4
97.02840	3.3
97.06545	19.5
98.20901	14.1
98.21600	5.3
98.27032	2.8
101.04310	2.6
105.07016	6.3
106.29871	2.3
107.04955	3.9
107.08546	5.3
109.06519	31.8
111.04415	3.2
111.08028	3.4
113.02383	2.9
115.05451	2.5
116.05318	10.6
116.96694	2.3
117.07011	5.5
119.04933	6.8
119.08562	9.0
121.06512	5.1
123.04372	3.0
125.05983	5.4
129.06993	3.0
130.04968	4.8
130.06561	2.8
131.08553	5.6
133.06509	3.0
135.08057	5.6
137.05974	9.3
139.03897	9.1
139.07520	3.7
141.01869	3.3
142.90405	2.3
143.03445	2.9
145.06488	3.9
146.06035	9.0
147.04291	3.2
147.08076	12.7
149.05939	4.5
155.07013	6.4
161.06061	3.7
163.07539	9.4
165.09161	27.5
167.07138	4.2
175.07547	3.7
181.08583	5.6
183.10185	5.5
189.05428	4.7
191.07033	2.7
193.08600	24.3
197.04483	4.6
199.09644	8.6
209.08040	6.5
211.09685	9.0
227.09169	6.4
235.03113	2.6
237.07506	5.4
255.08655	100.0
273.09674	3.7
290.12335	3.7
322.08453	4.3
322.20419	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	322.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55632	0.2
55.01857	0.4
57.03437	0.3
57.74495	0.2
69.97105	0.7
70.06597	1.1
72.08141	0.4
84.04500	0.5
84.08144	0.7
85.02903	0.8
86.09721	1.3
86.34872	0.2
88.04003	0.3
91.05496	0.5
95.01328	1.1
97.02903	0.6
98.20825	0.3
98.21368	0.5
104.04972	0.4
110.07121	0.3
117.03406	0.2
118.06551	2.7
120.08109	0.6
125.02366	0.2
128.04955	2.4
129.01775	0.3
129.10260	0.3
130.06537	0.9
132.04463	5.4
134.06049	1.4
136.06200	0.5
141.01833	0.6
144.08115	0.3
146.06015	100.0
147.06313	1.1
154.06697	0.3
156.08105	0.4
158.06056	1.2
160.07588	2.0
170.06027	0.7
172.07562	1.1
174.05522	8.4
177.05492	0.3
182.06128	0.3
184.07591	0.9
186.05536	0.7
188.06993	0.4
196.07626	0.6
198.05482	0.6
200.07091	0.9
205.01164	0.2
212.07111	1.0
214.04837	0.2
216.06558	0.5
224.07097	0.4
228.06523	2.2
230.08174	0.8
235.63150	0.2
240.06587	0.9
242.08105	1.9
244.06064	0.5
246.07610	0.4
248.09262	0.3
258.07645	4.9
268.06116	0.3
274.07111	1.9
276.08707	2.9
278.62683	0.3
286.07220	0.4
304.08170	4.0
322.09204	7.4
323.05920	0.3
323.09744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05508	0.4
55.77853	0.2
56.01629	0.2
56.05030	0.9
56.73643	0.2
57.03432	0.7
58.06594	0.3
58.99589	0.3
60.04515	0.8
60.21740	0.2
67.05490	0.2
68.05024	0.2
69.03434	0.3
69.07062	0.3
70.02955	0.2
70.06590	3.7
71.01356	0.3
71.57758	0.3
72.08154	1.3
73.02908	0.2
73.31383	0.2
77.03931	0.3
79.05492	0.9
80.05000	0.3
81.07059	0.7
82.22900	0.2
83.04987	0.2
84.04508	2.6
84.08148	1.9
85.02905	7.4
86.00641	0.8
86.06097	0.2
86.09692	0.9
87.02689	0.4
87.05587	0.2
91.05484	1.5
93.07047	0.6
94.06545	0.3
95.01340	1.4
95.04972	0.4
95.08559	0.3
96.08130	0.4
97.02875	0.3
97.06535	0.2
98.09676	0.3
100.17391	0.2
102.05505	1.0
103.05418	0.2
104.04942	0.2
105.07025	0.8
106.06550	0.3
107.08593	0.5
110.07172	0.6
111.00862	0.2
112.08733	0.3
113.02375	0.6
113.04304	0.2
114.05528	0.2
116.07106	0.6
117.03384	0.2
117.05766	0.3
117.07006	0.4
118.06542	2.1
119.04893	0.2
119.08562	2.0
120.08115	1.5
121.08878	0.4
124.07634	0.3
125.09560	0.2
126.37592	0.2
128.04968	2.5
128.05948	0.2
128.06271	0.2
129.06998	0.8
129.10233	0.8
130.05011	0.6
130.06464	1.1
131.03386	0.5
131.08571	0.4
132.01160	1.2
132.04446	5.0
132.08099	0.4
134.06007	1.8
134.09668	1.0
135.08067	0.3
136.06165	0.8
136.07576	0.7
141.01805	0.5
141.92946	0.2
142.06564	0.2
143.07237	0.2
144.08098	0.5
145.02875	0.5
145.08833	0.4
146.06007	100.0
147.04353	0.3
147.06335	1.1
147.08054	0.2
147.11676	0.6
148.07564	0.4
152.05663	0.3
156.08109	0.4
157.10146	0.6
158.06056	1.4
158.09508	0.2
159.04765	0.9
160.04272	0.3
160.07605	1.8
160.11194	0.3
162.09091	1.1
163.03906	0.5
165.07018	0.6
166.06474	0.2
167.07100	0.4
168.08131	0.3
170.05995	0.6
172.03909	0.4
172.07581	1.2
174.05516	8.2
174.12775	0.6
175.05840	0.3
175.11229	0.6
176.10730	0.4
177.05534	0.4
184.07578	1.2
186.05489	0.9
188.07095	0.6
190.12263	0.5
191.13017	0.4
192.13843	5.0
193.06502	0.5
193.14243	0.3
196.07681	0.4
198.05463	0.5
200.07030	0.8
202.08957	3.1
202.15881	0.2
212.07042	1.2
214.04886	0.3
214.08595	0.3
216.06572	0.5
221.05989	1.0
228.06549	2.5
230.08128	0.7
230.15366	0.8
240.06511	0.6
242.08168	1.8
244.06004	0.6
246.07675	0.3
248.09007	0.3
249.05511	1.1
253.19058	0.3
258.07617	5.8
267.06445	0.3
274.07141	1.9
276.08682	2.7
276.15872	0.4
277.04996	0.7
279.06195	0.2
295.06061	1.2
304.08218	4.6
304.11987	0.6
304.15506	0.6
322.09326	6.9
322.16455	27.7
323.05499	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34242	0.4
53.03958	0.5
54.04816	0.3
55.01867	0.4
55.05510	8.2
56.05025	1.8
56.92007	0.3
57.03415	0.4
58.99584	0.6
60.04504	0.7
60.05629	0.7
61.01152	2.4
65.03949	0.4
67.05497	0.6
68.05009	1.1
69.03428	0.4
69.05795	0.7
70.06590	28.1
71.04986	0.8
71.49805	0.6
72.08152	11.8
76.02247	0.4
78.96763	0.9
79.05476	0.5
81.07074	0.7
82.02937	0.9
83.04980	0.4
84.04501	35.9
84.08146	1.2
85.01113	1.7
85.02902	1.9
86.06021	0.5
86.09701	2.0
87.02692	1.0
88.00177	0.4
91.05476	1.3
93.07019	0.4
95.01302	1.1
97.02876	0.4
98.00603	0.7
98.20963	0.5
101.04243	11.5
101.07128	1.6
102.03749	0.8
102.05533	0.9
103.05484	0.5
105.07002	0.6
107.08608	0.5
110.07157	0.9
112.02173	0.3
112.08747	0.5
112.22932	0.4
113.02335	0.7
113.03015	0.5
113.07114	0.4
116.05315	5.3
118.06529	2.2
119.04972	0.5
119.08549	0.9
120.08106	13.2
123.98872	0.9
127.05020	1.3
128.03433	0.4
128.04999	2.3
129.01776	0.7
129.06805	0.4
129.10211	0.9
130.03242	1.1
130.05009	9.6
130.06511	1.1
132.04463	4.8
133.01414	1.5
134.06009	2.3
134.09651	0.5
135.08121	0.4
136.07549	0.7
137.05959	0.9
141.01804	0.7
142.98572	0.7
144.08035	0.7
145.08871	0.7
146.06003	100.0
147.04375	0.5
147.06465	0.7
147.07651	4.0
147.11670	0.5
148.02480	0.8
149.05934	0.4
154.06458	0.4
154.26770	0.4
157.09726	1.4
158.00931	1.0
158.06024	1.6
160.07559	1.6
161.05980	0.9
166.08644	2.7
170.05957	0.8
172.03841	0.8
172.07536	2.0
174.05510	8.2
174.12718	0.6
175.03642	0.5
175.11916	0.5
176.01976	2.7
177.03452	0.7
177.10255	2.4
182.05984	0.6
184.07562	1.6
186.05545	1.1
187.14745	0.4
188.07047	0.7
193.14177	0.7
196.07838	0.5
198.05588	0.7
200.07086	0.9
205.02760	0.5
205.09775	0.5
207.02615	0.6
212.07045	1.5
215.14273	0.6
216.06497	0.6
223.10818	2.2
228.06625	2.2
230.08255	0.6
240.06638	1.1
242.08089	1.9
246.07611	0.5
255.08623	0.8
258.07611	6.6
268.06110	0.5
274.07028	2.9
276.08621	3.5
287.05170	0.5
291.10074	0.7
294.16727	0.6
304.08151	4.9
304.15375	0.5
305.15976	1.1
322.09100	11.8
322.19281	3.1
323.09033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	3.1
59.05558	0.2
60.41897	0.3
71.56567	0.4
71.95248	0.6
97.02875	0.3
98.97585	11.4
101.00889	0.6
113.03452	0.6
116.98624	9.2
119.01939	1.9
134.99664	4.4
137.02994	0.6
140.98756	0.3
153.00746	0.7
158.01286	0.4
158.99974	0.7
176.97604	0.4
177.00952	12.7
178.01039	0.4
180.17480	0.3
182.99809	1.5
194.98482	0.5
201.00938	5.4
203.75867	0.3
205.96716	0.3
214.92001	0.8
216.98782	0.6
219.02011	100.0
220.02084	3.0
221.02415	0.6
230.93291	0.6
232.92970	0.3
232.96693	0.5
233.03551	1.2
234.99759	1.0
236.99516	3.1
237.03163	0.3
238.95554	1.0
240.98639	0.5
242.03598	4.3
243.01938	0.3
254.93318	0.6
256.93121	1.0
256.96625	7.4
257.92981	0.3
257.96750	0.4
258.97211	0.4
258.99759	2.1
260.00262	0.5
260.04318	0.3
261.03040	1.8
262.03036	0.4
262.95621	0.5
272.94427	2.3
274.94147	3.3
274.97641	2.5
277.00790	3.1
278.01065	0.6
279.98212	1.0
280.96463	1.4
282.99963	0.6
288.92120	0.5
290.95612	0.6
292.95178	1.5
298.18677	0.5
298.97675	35.3
299.18820	0.5
299.97763	1.0
300.97699	0.3
301.00995	0.4
303.98096	0.4
305.95099	0.3
312.92963	0.3
312.99094	0.4
316.95166	1.6
316.98862	1.2
317.95074	0.8
318.94971	0.9
319.43991	0.6
321.99268	3.9
325.42612	0.4
325.92300	0.4
326.43344	0.3
328.44177	0.5
328.94519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	Epivittadinal
Peak:m/z	Relative Intensity
52.52899	1.0
53.03957	1.4
55.01855	1.4
55.05518	10.1
57.07084	6.0
63.19592	0.9
67.05503	11.0
69.03415	1.7
69.07076	6.4
71.04990	1.3
71.08637	8.8
71.58875	1.4
78.00429	1.0
79.05489	8.4
81.07056	11.4
83.08612	2.1
85.06528	4.5
91.05473	6.1
93.07048	12.9
95.04972	19.4
95.08609	12.4
97.06528	3.7
97.10167	1.6
98.21251	1.0
99.08073	6.4
105.07052	9.3
107.08602	7.4
109.06526	32.9
109.10156	4.4
111.08088	1.1
117.07037	1.7
119.08558	8.7
121.06510	7.1
121.10130	4.6
123.08062	4.1
131.08557	5.0
133.10103	3.2
135.08060	4.5
135.11705	1.4
137.09642	4.3
145.10138	3.9
147.11687	3.2
149.09747	1.0
149.13304	1.8
153.12788	1.9
157.10152	1.3
159.11694	3.0
161.09744	1.2
161.13269	2.1
163.11205	3.8
165.12761	100.0
173.13251	4.0
175.11131	1.5
175.14842	1.4
177.12761	5.4
179.14320	2.5
187.14793	1.1
191.14325	4.3
205.15909	1.5
239.07799	1.2
261.22110	5.7
265.18057	1.6
271.20590	3.2
289.21622	47.4
290.21954	1.3
303.23093	1.2
321.24274	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34796	3.1
53.03926	11.9
55.01859	14.7
55.05509	26.4
57.03440	29.9
57.07063	5.5
63.88617	3.2
67.05165	6.1
67.05503	64.8
69.07068	100.0
70.06584	8.2
70.90047	5.1
70.90371	4.9
71.05003	4.0
79.05073	4.9
79.05499	84.6
81.03432	7.1
81.06577	4.7
81.07058	87.4
83.04985	6.9
83.08601	9.3
85.06542	5.7
88.07608	4.9
91.05482	87.9
93.07044	82.5
95.04971	19.0
95.08606	48.1
97.06507	14.3
98.20956	4.3
99.08110	3.1
105.07031	94.0
107.04960	29.9
107.08599	45.7
109.06534	28.8
109.10149	14.4
115.05431	4.3
117.07021	32.9
117.46413	3.0
119.08582	77.3
121.06494	11.6
121.10146	29.2
123.08027	4.5
127.07568	3.9
128.81522	3.1
129.06982	10.3
131.08580	67.9
133.06432	10.3
133.10136	63.1
135.04443	5.0
135.08086	18.7
135.11703	8.4
137.09613	6.8
141.06996	4.5
143.08565	11.7
144.05647	3.2
145.10114	50.2
147.08057	6.7
147.11678	13.6
149.09613	39.9
151.11176	11.3
157.10130	6.7
159.08005	6.6
159.11682	18.5
169.10127	10.9
171.10106	9.6
173.13269	6.2
177.09045	6.4
181.05914	3.8
183.10144	27.3
183.11661	5.7
185.13268	3.9
187.11136	5.2
189.12769	3.5
201.16373	18.3
205.12247	3.7
211.14830	13.2
219.17494	8.7
229.15820	18.1
235.41417	3.5
247.16975	45.4
257.26697	6.5
259.27240	5.7
303.19376	5.6
314.72696	3.2
321.17422	5.0
321.20691	54.8
321.30841	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	321.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.9
55.01864	8.0
55.05515	27.1
57.03183	2.4
57.03440	27.8
57.07072	7.0
58.94929	1.8
59.67531	1.9
62.06059	2.4
65.03947	3.0
67.05505	94.5
68.78216	1.7
69.03410	3.6
69.07066	20.2
69.27679	5.6
69.28099	14.5
69.97492	1.9
70.06613	2.9
71.01402	1.9
71.05003	10.4
71.06920	2.2
76.04906	1.8
76.91673	2.5
77.03943	2.5
79.05492	100.0
81.03411	2.9
81.07059	74.2
83.04991	12.5
83.08620	11.8
83.42051	1.9
85.06532	5.1
88.40371	1.9
91.05479	78.6
93.07043	74.8
95.04967	17.5
95.08609	45.3
97.06535	9.0
97.10141	2.8
98.20788	5.1
99.08089	6.1
101.76096	2.0
103.05490	3.2
105.07034	56.3
107.04962	9.2
107.08592	55.4
109.06491	9.8
109.10162	23.3
111.08077	6.6
115.05406	4.5
116.05273	2.1
116.06216	3.7
117.07024	47.2
119.03433	4.4
119.07789	4.0
119.08583	49.4
121.06494	5.8
121.10150	33.5
123.08073	13.5
123.11706	3.3
124.48571	1.9
128.06210	3.8
129.06979	11.5
130.07782	2.9
131.08572	53.0
133.10135	46.8
133.11081	3.5
135.08073	25.2
135.11693	15.2
137.09660	11.0
141.06987	9.4
143.08575	11.0
144.09334	2.5
145.06468	6.8
145.10135	40.8
147.08058	5.7
147.11693	14.7
149.09621	43.2
151.11176	3.0
154.07715	2.3
155.08505	4.3
157.10153	6.4
159.08096	6.5
159.11697	27.6
161.09665	4.2
161.13235	4.6
163.11186	8.6
165.09106	5.7
169.10146	18.3
171.11667	2.8
173.09682	8.5
173.13290	6.1
174.82468	2.0
175.11197	2.2
177.09143	3.3
183.10211	2.1
183.11658	6.1
185.13275	6.8
187.11171	19.3
187.14812	13.6
191.17989	3.1
201.16371	35.3
211.14809	10.3
219.17485	9.4
229.15878	30.7
247.16931	51.5
303.19522	4.2
321.16876	3.5
321.20630	68.2
321.30975	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	321.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
54.12133	1.9
55.01872	17.9
55.05511	13.1
57.03441	52.7
57.07072	3.9
59.54825	2.0
67.05510	31.3
69.03465	4.6
69.07073	6.1
69.84920	11.7
70.06587	4.6
71.02753	1.9
71.06921	2.9
79.05496	56.4
80.20239	2.1
81.03438	2.5
81.07072	26.4
83.04988	4.1
83.08618	8.7
83.18256	2.1
85.06559	16.5
88.07631	3.8
89.51603	1.9
91.05491	56.7
93.07056	34.2
95.04968	8.6
95.08604	23.7
97.06574	6.3
99.04475	3.3
105.07049	33.1
105.10457	1.9
107.04966	9.2
107.08586	28.7
109.06523	28.8
109.10164	4.2
111.08108	5.1
115.05470	4.2
117.07014	21.9
119.07765	2.6
119.08586	21.4
120.32835	2.0
121.06516	2.0
121.10149	8.4
123.08117	6.1
125.09670	4.8
129.07001	14.3
131.08582	36.2
133.10156	13.7
135.08064	77.5
135.11713	5.4
137.09586	3.2
139.28442	1.9
142.07817	3.4
143.08609	2.1
143.95546	2.4
145.10121	18.7
145.69978	2.2
147.08101	2.4
147.11690	9.0
149.09639	16.7
153.12753	6.9
155.08609	3.2
157.10141	10.4
159.08086	2.1
159.11655	3.9
163.11234	3.8
169.10127	2.6
171.11652	2.9
173.13254	27.3
175.11183	14.4
185.13403	2.8
191.14323	100.0
199.35600	2.1
201.16344	2.6
211.14845	2.9
229.15904	8.0
241.90176	2.0
247.17020	8.7
257.26678	7.1
258.27115	4.1
259.27292	8.8
316.64511	2.3
321.20572	23.8
321.23740	3.0
321.30853	44.3
335.28134	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.01862	7.9
55.05510	18.0
57.03436	30.9
57.07073	2.8
65.03935	1.7
67.05505	31.9
69.03418	2.0
69.07063	11.0
71.04987	6.4
71.37139	2.9
73.02918	3.0
79.05052	2.8
79.05492	34.8
81.03413	3.1
81.06577	2.2
81.07056	40.4
83.04976	11.1
83.08600	5.5
85.00169	1.5
85.06539	7.6
87.04458	2.9
91.05476	59.0
93.07050	34.9
95.04971	7.8
95.08612	31.3
97.06532	5.2
97.79826	1.9
99.08094	3.3
101.06047	2.3
103.05492	2.5
105.07024	58.2
107.04974	3.8
107.08601	22.4
109.06535	10.6
109.10162	7.9
111.08070	2.5
112.02200	2.1
113.06044	2.3
115.05446	4.9
117.07016	55.7
119.08582	56.2
121.06507	5.2
121.10141	9.6
123.08066	11.4
125.09634	2.5
128.06230	7.0
129.05525	12.1
129.07004	34.0
130.06479	2.2
130.07764	4.9
131.08571	73.9
133.10132	36.3
135.08055	16.0
135.11691	6.2
137.09613	3.9
141.06995	26.3
142.07782	3.6
143.08545	16.2
145.06493	5.0
145.10123	97.7
146.10431	1.7
147.08043	9.2
147.11696	20.4
149.09618	11.9
151.07538	20.1
154.07750	4.3
155.08569	14.2
156.09282	3.5
157.10114	28.4
159.08049	7.4
159.11685	31.7
160.12451	2.3
161.09630	6.7
161.13243	5.1
163.11139	4.5
167.08617	2.8
169.10130	35.2
170.10886	2.0
171.11736	6.4
173.09676	9.2
173.13268	17.9
175.11191	14.6
177.09074	2.3
181.10106	2.3
182.10944	5.9
183.11673	16.9
185.13263	25.9
187.11201	17.6
187.14813	66.6
189.12761	5.2
191.10663	2.3
191.14284	6.6
199.11307	1.7
199.14807	1.8
200.09499	1.9
201.12704	4.2
201.16385	32.8
207.13809	11.3
209.07135	1.8
210.07816	2.2
211.14818	58.1
219.17673	2.5
223.09317	3.4
229.15874	96.7
233.07571	2.9
243.05977	6.0
247.16931	29.8
256.29092	1.8
261.06943	5.6
303.19592	6.7
321.16739	32.2
321.20599	100.0
322.20813	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86275	0.7
55.05510	1.6
63.28082	0.6
65.02888	0.7
67.05495	1.8
69.07056	2.1
71.15590	0.7
71.15943	0.9
79.05495	4.0
79.18669	0.6
81.07040	1.6
86.09703	93.7
87.90379	0.8
91.05457	2.9
93.07051	4.5
95.04958	1.4
95.08591	2.7
98.16082	0.6
103.05468	4.5
105.07018	4.0
107.04933	1.5
107.08602	3.9
109.10178	1.1
117.06999	1.1
119.08604	1.8
120.08103	100.0
121.08391	0.7
121.10146	0.9
128.10715	46.8
131.04942	1.6
131.08565	2.2
133.10121	1.8
135.11678	1.1
145.10135	3.8
147.11678	1.2
149.05960	1.4
156.10193	10.6
159.11693	1.1
165.09088	1.2
166.08636	55.2
169.10132	0.8
175.11136	1.0
177.83586	0.7
187.14882	1.0
201.16335	0.9
211.14847	1.3
229.15887	1.5
247.16966	1.1
279.12228	0.7
321.17130	0.8
321.20712	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01871	2.9
55.05512	8.6
57.03429	3.0
57.07072	3.2
59.04984	1.7
60.99063	1.6
67.05506	13.9
67.66428	1.4
69.03419	6.2
69.07072	22.0
70.06598	8.8
71.04989	6.5
71.58068	2.0
71.94218	1.4
72.08166	2.1
79.05494	12.0
81.03432	4.7
81.07055	29.2
83.04970	3.1
83.08606	3.2
84.04518	3.1
84.08134	6.1
85.02895	2.6
85.06535	2.0
86.09707	99.3
91.05480	13.9
93.07044	23.9
95.04970	8.2
95.08601	21.6
97.06519	4.4
97.10175	2.0
103.05470	4.9
105.07039	19.0
107.04947	3.5
107.08601	20.2
109.02848	3.1
109.06522	6.0
109.10152	15.4
117.07027	4.9
119.08606	15.2
120.08109	100.0
121.06515	5.3
121.08415	2.8
121.10159	20.9
122.09683	3.9
123.08083	3.1
123.11719	11.0
125.09615	1.7
127.95578	1.6
128.10722	73.4
129.05515	3.1
129.10165	1.6
130.04991	4.9
130.06561	1.9
131.04881	2.7
131.08569	10.5
132.10204	2.2
133.10133	12.7
134.09657	1.7
135.08058	5.1
135.11702	12.2
137.05933	1.8
137.09624	8.7
137.13225	3.5
141.12744	5.7
143.08598	4.0
145.10117	14.9
146.26544	1.5
147.08058	2.6
147.11693	10.1
148.19873	1.5
149.05988	2.3
149.09608	5.7
149.13289	5.1
153.12781	2.1
156.10225	10.3
157.10118	4.5
159.08124	2.2
159.11723	9.3
161.09633	4.0
161.13251	2.4
163.11156	4.6
165.09140	10.6
166.08641	51.0
169.10103	2.7
171.11618	1.8
173.09633	4.2
173.13248	4.7
175.11195	9.9
175.14815	4.3
177.09091	2.8
183.11678	1.9
185.13324	2.4
187.14818	3.6
189.16423	2.9
192.13876	3.2
199.14815	3.7
201.12759	2.1
201.16466	2.2
205.15891	1.9
211.14894	3.6
213.16415	2.4
223.56902	1.8
229.15982	7.6
230.21181	2.3
233.18961	3.6
233.71947	1.7
234.11252	3.5
247.16908	2.3
261.21945	1.8
267.20871	2.4
285.19321	1.6
285.22128	8.5
289.08450	2.6
297.49255	1.6
303.19974	2.6
303.23227	29.4
304.15540	2.9
304.18726	1.5
321.11511	2.2
321.12704	2.7
321.16751	25.2
321.20816	1.6
321.24271	10.5
322.25940	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	321.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95185	1.3
55.01863	2.6
55.05508	12.4
56.05037	3.2
57.03189	1.7
57.03439	20.8
67.05501	10.0
69.03423	2.8
69.07069	7.7
70.06580	4.6
70.10009	5.9
70.20042	1.4
71.04972	2.7
71.17366	1.4
72.08165	1.8
78.05766	1.6
79.05511	8.6
80.05012	2.8
81.07059	12.2
82.06559	4.5
83.08581	2.1
84.04029	2.1
84.04504	26.2
85.02912	18.7
86.06068	3.8
87.04444	1.5
91.05469	11.6
93.07051	9.4
94.06564	14.6
95.01336	1.9
95.04958	4.5
95.08620	10.0
97.10151	3.9
98.20881	2.5
98.21446	2.1
101.04240	6.2
102.04527	1.6
102.05527	9.4
103.05479	2.3
105.07009	8.3
106.06553	2.7
107.08605	6.4
108.08105	2.0
109.06532	4.2
109.10143	3.8
112.04011	1.6
112.31126	1.5
117.05767	2.5
117.07005	6.3
118.06544	4.4
119.07329	2.3
119.08586	15.5
120.08085	9.6
121.10138	4.0
122.09706	7.6
123.08035	2.7
128.06229	1.7
129.06998	3.5
130.05019	44.9
130.06516	52.0
131.07448	2.6
131.08551	8.2
132.04443	1.6
132.08107	12.2
133.05194	2.9
133.08867	3.2
133.10077	4.0
134.06071	3.2
134.09671	13.6
135.08029	3.1
135.10527	1.8
135.11682	2.9
136.11208	33.9
137.09586	1.9
138.09120	6.7
142.07761	3.2
143.07278	1.7
143.08507	3.1
144.08073	3.0
145.06534	1.7
145.08868	4.8
145.10126	7.8
146.06027	6.7
146.09668	5.4
147.04742	3.5
147.06827	2.3
147.07988	2.2
147.11690	4.0
148.07574	19.3
150.09167	19.1
151.07510	2.1
157.10051	2.4
158.09660	9.0
159.10440	4.2
159.11716	4.3
160.07610	9.0
160.11215	10.5
161.08395	7.9
161.09589	1.8
162.09151	6.0
169.08676	2.2
169.10114	1.9
172.11234	3.7
173.11992	3.5
174.09193	3.3
174.12813	14.8
175.11137	3.1
176.10603	3.3
177.07858	1.9
178.08652	5.2
180.06644	1.9
183.10362	2.1
184.11214	3.1
185.13312	2.3
186.09183	4.7
187.14853	4.0
188.10681	8.8
190.08783	1.7
191.13080	5.1
192.06512	12.7
192.13826	88.4
194.08080	6.2
200.10799	3.8
201.11497	1.7
202.12279	17.0
204.06558	2.6
204.10214	22.7
205.07199	3.6
206.08130	31.5
206.11880	1.7
211.14877	3.1
212.14427	6.2
216.10214	6.0
216.13866	3.4
218.08202	2.1
218.11758	4.7
220.06033	1.9
220.09831	1.8
220.13255	3.7
223.09575	1.9
229.15958	6.5
230.11786	4.7
230.15338	13.7
232.09639	7.2
234.11212	26.1
240.13890	3.7
247.14510	3.6
247.16959	3.2
248.12856	11.6
249.12482	2.2
250.10745	31.9
257.16571	5.1
258.14893	41.1
262.10745	63.5
265.15466	6.5
275.17554	20.3
276.15918	5.3
279.13193	1.9
286.14316	8.8
303.16891	9.2
303.23212	2.2
304.15430	100.0
305.15775	3.1
321.18030	89.7
322.18448	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
57.03437	0.7
67.05500	1.7
69.03430	1.1
69.07057	0.8
70.06589	1.7
70.57162	0.5
71.31905	1.1
79.05489	2.2
81.03400	0.6
81.07072	2.3
84.04503	1.0
84.08147	1.2
85.64740	0.5
86.09702	0.8
91.05478	4.2
93.07052	2.9
95.04993	0.9
95.08594	2.4
96.04528	0.6
97.06520	0.5
103.05466	0.5
105.07059	2.4
107.04933	0.6
107.08597	2.4
109.06506	0.6
115.05425	3.2
117.05747	1.1
117.07024	5.5
118.06546	51.5
119.07351	2.9
119.08601	2.1
120.08154	1.0
121.06494	0.6
121.10184	1.1
123.08011	0.8
125.00507	0.4
130.05005	0.6
130.06488	0.9
131.06937	1.0
131.08565	2.9
132.08115	0.8
133.10092	1.1
134.09657	93.2
135.08032	1.0
135.09981	1.0
135.11665	0.6
142.06525	4.7
143.07292	5.1
143.08444	1.1
144.04462	1.0
144.08087	24.3
145.02852	0.7
145.06520	0.8
145.10126	3.0
146.06012	100.0
147.11655	1.0
149.09615	0.8
157.10103	1.0
159.08026	0.6
159.11702	1.1
160.07623	1.4
169.10086	0.6
170.06023	8.4
174.09264	1.2
177.05470	1.5
187.14807	0.7
188.07069	96.3
189.05423	0.6
189.07286	0.6
192.10133	1.5
201.08893	0.6
201.16466	1.0
211.14775	0.8
216.09065	0.6
229.15868	1.2
244.08350	1.0
247.16846	0.9
289.08524	1.0
303.09723	3.5
303.12711	0.7
321.10773	0.9
321.15921	10.1
321.20432	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	321.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41613	0.4
56.96566	0.8
69.97903	1.1
69.98288	1.2
78.95614	1.3
82.99857	0.8
84.91188	1.4
90.85411	0.5
94.93023	2.6
94.99852	0.7
98.97540	0.5
101.00888	7.3
113.00857	4.0
115.02414	1.1
119.01925	15.1
119.92513	1.9
131.01918	17.7
133.03441	2.4
137.02966	1.3
141.06537	0.6
142.03502	0.7
143.01892	2.8
145.03468	1.3
146.16580	0.6
149.02940	3.1
151.04486	0.8
155.01889	11.9
157.03482	1.1
158.99577	0.6
159.01375	1.1
159.57674	0.5
161.02945	3.2
167.01820	0.7
168.99850	0.9
169.51134	0.5
170.01637	0.4
173.02966	32.4
175.04541	0.9
177.00996	0.8
177.02426	3.8
183.01379	1.3
185.03001	5.6
187.00885	1.5
189.00758	0.5
189.02415	1.0
191.04024	1.6
195.03378	0.6
196.04462	0.8
201.02446	54.2
202.02731	0.5
203.03973	2.8
213.02454	13.5
213.04465	0.8
215.00336	2.2
215.03995	0.8
216.92706	0.7
219.03510	100.0
220.03729	1.2
221.05121	0.9
223.02824	1.4
224.04126	0.7
229.02019	0.7
231.03503	14.8
233.05049	2.9
237.04553	3.2
239.06195	0.9
242.05067	3.1
243.03374	0.6
243.35298	0.4
245.05043	0.6
247.02907	2.7
249.04558	9.7
257.08038	0.5
261.04587	3.9
265.03979	0.8
273.04544	0.7
279.05710	0.9
289.04025	0.8
291.05511	0.6
303.01016	2.3
321.03070	0.9
321.06677	6.9
321.11499	5.8
322.05588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01876	7.7
55.93478	1.2
56.05045	7.0
56.96568	1.5
57.03427	1.2
58.99583	3.3
59.97945	1.2
60.04517	1.5
61.01142	2.3
65.03917	2.0
67.05505	8.8
68.05022	4.2
69.03442	1.5
69.07044	2.6
70.02935	2.9
70.06595	30.9
70.46724	1.0
71.05002	14.6
71.16237	1.3
71.56931	1.8
71.92384	1.3
72.08143	6.5
74.06067	4.2
75.96642	1.2
76.02224	4.2
79.05064	2.0
79.05499	36.2
81.03422	1.8
81.07044	2.4
83.04956	2.2
83.06097	1.5
84.04485	5.5
84.08134	4.0
85.01132	2.3
85.02889	6.1
86.00633	1.6
86.06060	2.8
86.09203	2.4
86.09711	28.9
87.04467	1.5
88.03999	18.0
88.95015	1.2
89.84601	1.4
91.05484	50.5
93.07047	61.0
95.04992	8.8
97.01111	2.8
97.06543	3.6
98.06068	2.6
99.04526	1.4
99.08079	1.4
102.00111	1.5
102.05506	1.7
102.89706	1.3
103.05437	3.5
104.05327	8.0
104.54784	1.5
105.00045	2.1
105.07033	9.0
107.04956	26.3
107.08591	17.1
109.06521	2.9
109.10139	1.8
110.07165	2.8
111.02650	5.8
111.05527	1.5
112.07569	3.1
113.06008	4.4
113.07131	20.8
115.05462	3.2
116.05282	1.6
116.07093	18.9
117.07017	55.9
117.07848	2.7
119.04936	2.6
119.08577	7.1
120.04488	2.1
120.08109	14.7
121.06521	19.5
122.02737	2.0
123.08026	1.3
125.04210	4.0
125.09607	1.7
127.08672	7.7
129.06583	1.7
129.10234	1.7
130.04988	5.6
130.06500	3.0
132.04456	2.1
132.10231	1.5
133.03175	3.1
133.06404	1.7
133.10083	1.8
135.08054	100.0
135.11571	2.1
136.08383	1.5
137.04247	1.7
137.09604	3.9
143.11798	15.3
144.08052	1.8
145.02899	2.4
145.06517	9.7
146.06000	4.9
147.04341	1.6
148.03952	1.5
150.05841	9.5
153.03708	22.9
153.09102	6.0
155.08133	3.9
161.07370	7.9
162.09186	1.6
163.07544	63.5
164.04228	1.3
164.14378	1.7
167.05240	5.4
171.04770	27.4
171.11287	3.8
174.05515	19.4
175.08548	2.0
175.11105	2.7
177.10234	3.3
181.08591	31.1
185.06302	16.1
189.06920	2.8
192.13824	4.4
193.12317	1.8
199.09669	24.5
210.15005	2.2
211.13377	1.7
213.05847	14.5
215.07512	1.7
220.07932	2.7
221.09232	4.6
221.98283	1.4
229.14838	1.6
231.06827	11.6
232.08028	2.5
238.08965	3.8
242.08281	2.9
253.22153	1.5
256.09976	6.1
257.08423	4.3
258.17017	6.8
260.11951	1.6
266.08432	4.5
267.06931	2.4
274.11002	8.6
278.13361	9.7
284.09479	15.3
285.07956	5.3
285.16980	5.4
286.32895	1.4
302.19583	3.1
303.08923	24.9
303.12701	6.1
319.70984	1.3
320.08447	2.2
320.11600	18.7
320.15329	12.9
320.20865	2.1
321.18094	5.3
332.21655	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11765	1.3
61.02917	2.0
64.79967	1.4
67.83495	1.6
71.03735	3.4
79.43712	1.3
85.02884	2.4
86.73812	1.6
115.05492	2.2
128.06223	1.6
129.06952	1.6
130.06528	100.0
142.06516	2.9
144.08131	3.4
146.05963	2.2
154.06520	55.7
155.07278	4.5
155.08827	1.3
156.08057	4.1
166.06505	1.9
167.07277	3.3
168.08095	13.7
170.06009	14.5
172.07645	1.5
181.05206	4.0
182.06021	84.5
183.06711	5.4
184.07562	6.8
186.09152	1.8
194.05965	6.7
196.07591	10.5
198.05534	7.8
202.08626	2.4
210.05508	11.4
212.07103	4.2
214.08643	8.3
216.06551	2.1
222.05441	7.2
224.07048	10.1
228.06563	2.0
230.08109	2.2
231.35310	1.4
232.09769	3.2
234.05417	2.0
240.06592	3.8
242.08105	61.3
252.06622	3.5
254.08093	11.4
256.09729	1.6
270.07614	2.2
272.09128	6.2
284.09235	6.7
292.06424	1.9
302.10153	7.1
320.11307	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	Relhaniaic acid
Peak:m/z	Relative Intensity
53.03950	2.5
54.88550	2.9
55.05502	8.9
60.04535	4.4
67.05500	17.2
69.07058	9.9
70.14126	12.0
75.95524	2.6
79.05481	7.9
81.07051	21.0
83.04983	27.9
83.96506	3.1
88.07631	10.0
88.91781	2.6
91.05472	5.9
93.07039	12.3
95.04973	11.5
95.08609	46.0
105.07036	9.1
107.08582	23.0
109.06543	17.7
109.10141	19.7
111.08073	4.3
119.08576	17.8
121.06525	5.4
121.10133	25.5
123.08066	23.0
123.11709	6.8
129.59392	2.3
130.90924	2.7
131.08517	3.5
133.10147	14.1
135.08058	94.8
135.11705	9.6
137.09633	5.4
139.50984	3.1
145.10086	4.9
147.11682	11.3
149.09595	10.7
149.13277	6.6
151.11101	2.6
157.10091	3.7
159.11626	5.3
161.09656	7.7
161.13264	8.6
163.03909	6.9
163.11200	10.5
163.14815	10.8
165.12730	6.2
168.00522	6.4
171.11639	6.6
173.13269	9.4
175.11200	11.3
175.14810	10.0
177.16408	7.8
183.02872	34.1
185.13211	6.2
186.01593	6.7
187.14839	5.2
189.12730	29.1
199.14847	5.2
201.16333	8.0
203.14302	16.2
203.17915	3.3
205.15843	32.8
205.94760	3.1
217.16071	6.2
231.21037	6.5
241.19565	9.3
259.20578	100.0
271.28174	9.5
273.22171	41.1
301.21591	86.3
319.08084	16.4
319.22592	52.0
319.30298	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1542
Annotation	Zearalenone
Peak:m/z	Relative Intensity
56.96567	94.3
70.06582	1.1
70.98115	2.4
71.95255	4.1
72.08182	1.3
72.96056	5.1
74.97615	2.2
77.04072	0.9
80.43195	0.9
83.97639	6.2
84.08124	1.9
84.96034	3.2
85.99200	1.5
86.09721	8.4
97.99191	2.4
98.97580	3.2
101.00890	2.7
101.98679	1.1
103.92452	1.2
109.99181	2.1
110.07158	2.9
112.00736	7.1
114.02361	1.1
115.02421	1.1
116.98611	2.1
119.01898	6.5
119.91947	1.1
126.02280	1.8
128.98598	1.3
129.02258	1.3
130.01758	5.2
131.01935	1.2
132.03334	1.3
132.10205	1.1
133.03456	5.8
140.03812	6.6
142.01767	1.1
142.05392	7.8
146.99728	2.0
147.03345	1.5
151.04474	1.1
152.05704	1.8
158.04883	11.5
160.06471	16.2
161.04889	1.1
162.02592	1.4
165.00690	1.3
170.04845	5.2
171.01349	1.8
171.03349	1.9
174.99493	1.4
175.00874	6.4
176.05977	3.0
178.07585	2.9
179.00482	1.7
180.03673	1.9
188.05911	12.4
189.02475	3.4
189.04350	9.3
189.05884	1.7
190.98610	1.0
191.04175	1.5
193.01871	1.3
199.00850	1.5
206.01601	6.9
206.06999	36.2
207.01907	1.2
207.05444	4.6
207.07185	1.4
217.01930	13.9
220.08568	1.3
221.03006	10.1
222.03137	1.3
224.02667	19.9
224.08052	41.7
229.08717	1.1
235.02919	7.9
239.04044	1.1
242.03719	1.7
247.04582	1.9
248.07980	1.4
259.03043	2.1
277.04062	5.1
278.09174	1.4
284.11618	1.3
301.14291	16.9
302.12872	3.1
319.10242	7.3
319.15414	100.0
320.15762	2.0
337.11023	7.2
337.16501	13.5
342.17154	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	319.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	6.1
57.05819	2.2
60.05636	2.0
60.58928	0.8
63.89828	0.7
68.34792	0.9
69.04510	1.5
70.06569	2.8
70.32565	0.8
70.92502	1.7
70.92856	1.2
83.06094	3.0
84.04532	1.0
95.06082	2.7
98.07185	1.2
99.07938	0.8
104.04971	1.5
105.05764	1.0
106.06548	2.1
111.05570	7.3
112.08719	1.0
113.07133	4.2
116.56924	0.9
117.05749	1.1
118.06622	0.8
120.04464	3.5
120.51476	0.8
123.05590	1.2
126.06630	4.5
127.07406	2.6
128.08226	0.9
132.04454	17.6
132.08096	1.0
134.06041	5.1
137.04617	1.3
140.08163	2.7
148.03888	2.0
150.05493	9.0
151.06128	9.6
159.09242	0.8
162.86754	0.8
168.08830	1.0
174.05521	1.1
176.07083	2.4
187.08653	6.1
189.06606	1.6
202.09761	4.1
203.08109	4.7
230.09183	4.1
231.07661	30.7
232.10733	1.4
233.09213	1.6
233.13963	6.8
234.12390	1.9
242.09212	3.4
242.38748	0.9
246.08612	1.0
257.10312	5.7
259.11905	25.7
260.10141	1.5
277.12955	94.6
278.13306	1.7
284.11450	6.2
294.46558	0.9
301.14194	2.5
302.12469	56.4
303.12869	1.3
319.15131	100.0
320.15485	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	319.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.0
55.05490	3.9
56.05032	9.0
56.96565	2.5
57.06678	1.3
58.99588	11.6
61.01134	2.3
61.48503	1.1
64.18954	1.2
65.28587	1.1
67.05485	3.9
68.05010	1.5
68.23814	1.3
69.07024	1.6
70.03030	1.8
70.03317	6.4
70.06571	2.5
72.08154	2.2
73.35474	1.3
73.94405	1.2
74.00639	3.3
76.02203	5.8
76.03979	1.5
79.05511	3.4
80.04993	3.2
81.03407	2.7
81.07056	7.7
84.04504	8.8
84.08134	2.5
85.01105	5.4
85.02895	8.1
86.00656	29.2
86.09678	4.1
87.02663	1.7
88.02187	5.2
91.25962	1.3
93.07021	2.8
95.08620	9.2
96.08093	2.0
98.09206	1.5
98.09705	16.7
98.21238	3.0
100.02197	1.5
101.04218	6.7
101.70020	1.3
102.03765	1.7
102.05540	8.1
105.07005	3.6
108.08085	1.9
110.09655	3.2
112.03944	4.4
113.04227	15.5
116.01675	8.7
118.06487	1.3
120.04388	1.4
120.08053	2.7
122.09637	6.0
123.08022	5.6
129.07349	19.0
130.05009	35.9
130.06648	2.5
130.08571	1.4
132.04475	1.7
136.06178	7.6
138.05499	1.5
139.05702	3.2
143.02705	3.7
144.01140	2.1
145.04811	2.0
145.06001	3.1
146.02661	2.4
146.05937	2.0
147.04376	1.7
156.08438	92.3
156.10176	14.0
162.02150	2.8
168.06213	1.5
169.81256	1.4
183.02843	1.9
189.03281	5.1
190.12233	13.4
198.09479	19.5
213.10503	1.3
216.06969	3.0
216.10535	100.0
217.11024	1.7
226.08966	3.7
231.07602	3.9
231.11177	1.9
239.02118	3.7
251.14972	1.3
255.11375	1.8
259.11111	93.8
260.11353	1.8
273.12344	5.5
277.12967	9.7
301.11856	7.3
302.12439	5.2
319.04358	3.7
319.13046	93.1
320.13419	2.5
320.16995	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	319.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	5.0
61.02925	2.0
70.07017	1.6
70.07344	7.0
80.62726	1.4
89.03932	4.9
98.21533	1.6
98.97594	2.2
100.67107	1.6
103.68862	1.8
110.07127	2.0
117.03379	6.9
119.01904	3.9
135.04448	12.8
140.15204	1.5
143.01874	3.7
145.02827	9.4
146.99649	3.1
147.04405	3.0
157.01088	73.4
161.02959	3.0
163.03912	44.1
173.02982	2.8
185.00916	2.1
185.02119	56.1
193.00369	1.6
203.01756	3.1
212.05540	1.5
213.03436	1.9
214.70671	1.7
221.02966	100.0
232.93604	1.6
235.04549	2.2
239.04031	17.1
247.04588	21.5
257.02948	2.1
275.04083	7.8
301.01981	4.2
319.03784	16.9
319.09985	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	319.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01823	0.6
52.27960	0.6
55.01864	0.9
55.05513	1.7
56.05038	4.2
56.96555	3.4
57.03440	0.9
58.99575	3.5
60.05629	1.0
67.05489	1.8
68.05009	1.1
69.07058	1.4
70.06592	3.9
71.04994	1.3
71.57943	0.9
72.08144	2.1
74.00658	3.0
74.06084	1.2
76.02214	2.1
79.05482	2.9
80.05009	1.9
81.03403	1.4
81.07058	3.7
83.06123	1.0
84.04502	2.2
84.08132	3.2
85.01115	3.6
85.02880	0.8
86.00652	22.1
86.09697	3.3
87.02665	1.0
88.02211	2.0
91.05466	2.6
93.07029	2.2
95.04979	0.9
95.06068	1.1
95.08606	4.0
97.06550	1.1
98.09698	6.5
100.02170	1.2
101.04216	1.6
102.05557	2.2
105.07035	1.3
107.04917	0.9
110.07166	1.3
110.09667	2.6
111.05560	2.0
112.03951	1.1
112.08713	0.8
113.04231	9.5
113.07122	1.4
116.01675	2.2
116.07092	1.5
117.06991	0.9
119.04961	1.8
119.08539	1.1
120.04488	0.8
120.08102	1.2
121.06477	1.0
122.09667	4.5
123.08073	3.4
126.06584	1.6
128.98624	1.0
129.07385	6.7
130.04974	2.1
130.06837	1.9
130.08662	0.7
132.04442	2.7
133.10146	0.8
134.05975	0.8
135.08046	2.2
136.06180	1.3
136.07613	0.8
139.05772	1.9
144.04442	3.6
145.04785	4.2
145.05991	1.1
146.02765	0.7
146.06044	1.1
146.08134	0.7
146.99590	1.3
147.04401	2.1
150.05496	1.3
151.06104	2.3
151.37679	0.8
156.08427	69.7
156.10178	4.8
157.08699	0.8
159.11694	0.8
163.03912	3.2
163.07481	1.0
168.00529	1.6
171.04695	1.1
174.05396	1.7
175.11943	0.9
176.06989	1.1
181.08548	0.9
183.02927	3.6
186.01588	1.4
187.08749	0.9
189.03246	2.1
198.09468	18.2
198.11191	1.4
202.09579	1.1
203.08206	1.4
213.10587	3.9
216.10532	100.0
217.10883	1.7
231.07692	6.6
233.13942	2.0
235.11136	0.8
239.02223	2.3
246.11121	0.9
255.11438	2.4
257.03473	1.5
257.10287	0.8
259.11136	47.4
261.12799	0.8
273.03799	1.6
273.12360	2.9
277.12964	18.9
283.11032	2.6
291.17496	0.9
301.11920	8.3
302.12494	13.5
319.04486	2.9
319.07852	2.6
319.12540	34.1
319.16162	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	319.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04991	0.2
56.14760	0.2
56.96569	3.9
68.25449	0.2
70.06586	0.6
70.07873	1.0
70.98103	0.3
72.08147	0.4
84.04488	0.4
84.08144	2.6
84.96030	0.2
85.02850	0.3
85.08452	0.7
86.09717	1.2
87.10023	0.3
91.05479	0.3
94.53396	0.2
97.62360	0.2
98.20999	0.5
98.97567	1.4
101.00898	0.7
110.07154	1.0
110.97565	0.3
116.98589	0.6
119.01937	1.9
119.04953	0.5
125.83209	0.2
128.98598	0.8
129.10226	1.2
130.10622	0.4
131.01904	0.4
133.03517	1.0
135.04395	0.6
136.06177	0.3
137.02910	0.3
138.05539	0.3
139.05797	0.4
146.99651	0.9
147.04425	1.3
149.03011	0.4
156.07645	0.3
157.01126	0.8
158.99698	0.4
161.02953	0.4
163.03889	1.4
164.04263	0.3
165.00749	0.3
165.04030	0.3
171.14857	0.2
173.02977	0.6
174.99190	0.7
175.00876	1.4
177.00676	0.7
177.02144	0.2
177.03952	0.2
183.02876	0.4
185.00650	1.7
187.02708	0.2
189.02434	0.8
190.98662	0.4
193.00218	1.0
193.01843	0.4
193.03287	1.1
195.03352	0.5
203.01868	4.7
203.03777	0.4
205.02138	0.3
208.99667	0.4
211.02747	0.3
213.04297	0.7
217.01959	2.4
219.03607	0.3
221.02962	100.0
222.03191	2.1
223.03278	0.5
227.03963	0.3
229.03308	1.1
231.03500	0.4
235.02657	1.2
235.04771	0.7
239.04094	15.2
240.04076	0.3
244.04543	1.8
247.04538	23.6
248.04907	0.3
249.04535	0.3
255.01636	0.3
257.03024	3.1
257.05450	0.3
259.03061	0.3
261.04346	0.4
265.05521	1.5
270.06061	0.6
273.02560	1.2
275.04059	8.3
277.01819	0.8
277.04288	0.9
289.05682	0.3
291.03516	0.9
293.05127	1.5
295.02939	0.8
298.05554	0.4
301.01947	5.4
319.02988	12.0
319.13474	0.4
337.03818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	8.7
66.50091	3.0
68.33762	2.9
70.23402	6.6
70.23785	6.5
84.08115	3.4
117.03397	3.4
128.05789	3.2
128.98601	3.6
133.03499	5.3
135.04417	10.7
145.02852	7.7
147.04523	3.5
149.45187	3.1
157.01093	69.9
163.03894	38.0
185.02118	52.5
190.98686	5.6
203.01804	5.4
208.99715	3.8
221.02963	100.0
239.04044	14.2
247.04674	23.6
273.03015	3.5
275.03995	7.8
301.02136	4.7
319.03760	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	319.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	13.3
56.96558	23.9
70.06587	13.1
71.15468	8.7
72.08157	7.1
84.04512	25.7
84.08133	6.5
85.02908	36.7
86.00651	15.5
87.28513	5.0
90.09503	4.2
91.05458	4.7
95.08649	3.9
102.05545	22.1
112.03966	3.8
119.04906	5.1
120.08088	6.9
126.06619	5.3
128.98666	6.1
129.10207	8.2
130.05013	100.0
132.04446	14.2
132.08037	7.6
137.84271	3.8
145.04826	8.9
145.06165	3.9
146.06055	13.5
146.99652	6.5
147.04443	6.4
150.05515	7.7
156.08441	40.4
156.10248	4.1
158.09483	4.2
163.03879	7.9
168.00517	5.2
177.70064	4.0
183.02960	23.4
187.08617	5.1
188.01593	5.1
190.12253	50.8
198.09503	10.0
211.42950	3.9
216.10529	48.4
217.55652	3.7
231.07651	17.4
239.02318	24.9
242.08102	7.8
255.11346	5.2
257.03308	11.6
259.11130	35.7
273.03952	21.3
273.12411	12.4
277.12943	55.2
284.09030	6.9
301.11768	15.7
302.12491	32.5
319.07858	6.2
319.09024	8.1
319.12997	44.1
319.15756	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
54.23015	1.1
55.01867	2.7
55.05508	4.8
56.05036	4.8
57.03434	1.9
57.46671	1.0
58.15739	1.0
58.99577	6.5
67.05531	5.7
69.03434	1.2
69.05992	1.2
69.07069	12.1
69.59139	7.1
70.06591	10.7
71.04982	1.4
72.45918	1.3
76.02202	1.3
79.05489	12.6
81.07059	33.9
82.06573	1.7
82.69537	1.2
83.04984	2.2
83.08640	3.2
83.10493	1.1
84.04488	1.7
84.08117	1.2
85.01131	9.5
86.00655	23.7
86.09714	2.1
86.99065	2.3
87.02689	12.9
88.03970	1.4
91.05485	3.8
93.07059	5.1
95.04963	1.2
95.08623	5.7
97.06526	4.0
98.09692	8.0
99.08099	1.8
100.02180	1.3
101.40231	1.2
102.87053	1.2
105.00095	1.7
105.07037	3.9
107.04969	1.5
107.08581	7.4
109.06505	2.0
109.10156	2.7
113.04235	7.3
117.07011	1.6
117.97768	1.8
118.43797	1.2
119.08591	3.9
121.10154	5.7
127.07587	6.8
128.03468	1.3
130.06557	5.4
131.01646	2.8
131.08585	2.6
132.00151	2.2
132.01152	45.8
133.10109	1.8
138.05489	2.9
139.11180	1.5
141.10197	1.2
143.07172	7.6
144.08101	1.8
145.08615	9.8
145.10088	3.1
146.05995	1.8
149.09630	2.9
150.35257	1.2
156.08411	6.1
159.04752	34.1
159.09126	1.3
159.11720	1.7
160.07576	2.2
161.08109	2.5
161.09523	1.6
163.11252	1.6
163.98360	5.0
167.10709	4.8
174.04007	2.4
177.09138	1.6
183.02942	2.1
185.11716	1.8
186.01617	1.9
201.16374	1.4
202.08969	100.0
203.09273	2.3
212.07449	9.3
229.15988	1.5
247.16925	8.1
265.17972	2.9
282.15259	18.0
300.16245	15.0
303.04572	3.6
318.06848	3.3
318.09827	2.0
318.17371	6.4
319.07977	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.1
56.05029	1.5
56.49439	0.5
56.96559	0.6
57.05804	0.6
60.04525	17.6
60.05651	9.8
66.97043	0.5
68.05019	0.7
69.03435	0.7
69.07071	1.7
70.02953	1.0
70.06593	22.3
71.05006	0.8
71.09788	1.4
72.04526	0.8
72.08156	49.3
76.43903	0.5
79.05473	1.0
81.03423	2.0
81.07060	1.0
84.08147	6.0
85.08472	0.6
86.09707	33.5
87.05593	12.6
88.04055	0.7
91.05488	1.2
94.06512	0.6
95.06065	0.6
96.08134	1.8
97.07658	1.3
98.21149	0.6
98.76016	0.5
105.06992	0.6
109.02889	0.7
110.07186	1.0
111.05531	0.8
112.08736	3.5
113.07150	1.1
114.09166	11.9
114.10283	2.9
115.08723	0.7
116.04959	1.7
116.07098	7.5
118.06530	0.6
118.08661	0.9
120.08082	1.2
127.03918	0.8
128.10728	5.2
129.10220	3.1
130.06509	1.2
130.08699	1.2
130.09752	4.5
130.10623	0.9
132.04442	1.4
132.10214	4.3
136.06181	3.7
138.05469	3.1
144.04443	100.0
145.04793	1.5
146.06038	1.7
156.06567	1.3
157.01115	1.1
157.10828	2.1
158.09253	10.7
159.11295	65.7
163.03903	1.0
173.12871	24.1
174.02277	0.6
175.11922	23.1
175.14227	3.9
177.05487	0.8
177.12700	0.5
183.02896	0.6
185.02139	0.8
187.10782	19.0
193.12299	0.7
201.09842	1.4
201.12337	6.9
205.11847	1.0
210.14909	2.4
211.13206	1.4
219.13399	1.6
221.03036	2.6
228.15973	1.8
231.07674	1.6
231.17010	1.5
254.13750	0.7
258.12332	1.8
259.12039	1.6
274.16541	1.8
277.12976	6.2
300.14703	3.7
301.12860	3.3
302.12491	4.8
304.14407	0.7
318.15555	51.4
319.04309	0.7
319.15292	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	318.1814
Annotation	H-Leu-Trp-OH
Peak:m/z	Relative Intensity
55.05500	1.2
56.05032	1.4
65.03972	0.7
67.05516	0.6
69.07063	4.0
69.68517	3.6
69.68927	0.9
70.06592	4.8
72.08154	4.6
74.02457	3.5
79.05499	0.9
81.07050	0.8
84.04498	2.9
84.08144	4.9
85.02915	1.7
86.00648	1.4
86.09707	100.0
87.10048	1.4
91.05480	1.3
92.02608	0.9
93.03437	0.8
95.04982	1.2
97.06522	1.0
98.09702	1.5
99.10042	0.8
102.05546	1.2
103.05476	1.0
105.07043	0.9
112.08723	0.7
113.10766	1.1
115.05445	1.7
116.07093	1.5
117.05769	1.8
117.07016	1.5
118.06532	6.9
119.08605	0.8
120.08106	5.6
121.02893	0.8
129.10260	2.4
130.05043	4.9
130.06525	15.5
130.08627	1.6
132.08092	31.3
136.06223	1.3
136.07449	0.7
138.05516	5.7
141.10210	5.9
142.06523	4.8
143.07298	7.0
144.04433	10.4
144.08086	26.3
146.06006	33.1
153.01846	3.9
154.02144	3.3
156.06583	1.9
156.08377	1.2
156.10152	0.9
157.08759	1.7
158.09360	1.1
159.09180	54.1
160.07591	3.7
168.00505	0.9
170.06024	11.8
174.05458	0.9
175.11920	2.1
183.02950	1.6
187.08641	0.9
188.07069	65.5
190.12253	1.8
205.09729	50.6
229.04608	1.6
230.05307	2.9
246.04802	1.8
255.15094	0.8
258.04791	1.7
259.11115	1.7
260.11432	7.8
272.17636	1.3
273.15927	2.8
274.04413	1.8
274.16437	0.9
275.05038	2.5
286.04291	4.5
301.15445	24.1
302.04208	1.2
303.04568	11.2
318.06863	45.7
318.09827	2.5
318.15329	3.0
318.18430	13.8
319.07010	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1813
Annotation	H-ILE-TRP-OH
Peak:m/z	Relative Intensity
55.05499	1.1
57.74072	0.8
59.25134	1.0
65.03922	0.9
67.05469	0.9
69.07053	2.2
69.48323	0.8
69.96291	4.2
70.06575	3.7
72.08166	4.3
73.97518	0.9
74.02425	2.6
84.08134	4.9
85.02882	1.0
86.09706	100.0
87.10035	1.6
88.03992	1.2
91.05477	0.9
92.02612	1.7
93.03392	0.8
96.08098	1.0
98.21117	2.7
113.10806	1.5
115.05408	2.2
117.05750	1.4
117.06985	1.0
118.06551	7.7
120.08109	4.7
129.10225	2.2
130.05013	1.5
130.06525	16.5
130.08617	2.1
132.08086	33.7
138.05508	1.6
141.10204	5.4
142.06554	5.1
143.07310	17.6
144.04442	7.0
144.06990	1.8
144.08076	26.7
146.06010	34.0
151.03867	1.2
153.01839	5.4
154.02144	4.2
159.09177	50.1
160.07545	3.0
170.06015	15.0
175.11951	0.9
187.08638	1.4
188.07069	74.0
205.09727	49.2
205.11681	1.9
213.67215	0.9
218.05266	1.0
220.03073	1.0
229.04735	1.7
230.05287	3.4
246.04735	1.8
247.05513	1.6
258.04688	2.4
260.11334	1.4
272.17511	2.0
273.15948	3.0
274.04407	1.8
274.16476	1.6
275.05072	3.2
286.04211	3.8
300.17435	1.1
301.15448	23.6
303.04596	12.7
318.06808	53.8
318.09808	5.5
318.18271	13.1
319.06998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41173	0.5
53.03932	0.9
55.01875	4.0
55.05499	1.9
56.05035	3.7
57.03432	0.7
57.07058	0.6
58.99590	5.3
64.21525	0.5
67.05489	2.6
69.03407	0.9
69.07067	2.7
69.38272	2.6
69.38695	2.0
70.06580	1.7
72.08136	0.8
74.02370	0.5
76.02200	1.1
79.05490	7.0
80.05033	0.6
81.07054	15.2
82.06548	0.6
84.04473	0.8
84.08127	1.5
85.01123	11.3
86.00652	22.5
86.09707	4.1
86.99051	2.6
87.02692	16.9
88.02187	0.7
88.03986	1.6
89.21881	0.5
91.05466	1.4
91.61230	0.6
93.07029	1.5
95.08601	2.2
96.08144	0.5
97.06507	0.9
98.09692	7.6
98.20921	1.8
99.08120	0.5
100.02212	0.6
105.07040	1.5
107.08559	1.1
108.08123	0.7
109.06532	0.6
109.10107	0.7
110.09650	0.9
113.04212	7.3
117.07012	0.8
119.08614	1.0
120.08131	1.3
121.10101	0.9
122.09685	1.1
127.07538	1.7
128.10704	2.4
130.06602	1.1
131.01628	1.8
131.08601	0.6
132.01151	45.0
132.04459	0.8
133.10095	0.8
136.06180	0.7
138.05504	2.0
143.07214	2.3
143.08395	0.5
144.04443	0.8
144.07996	0.6
145.08594	1.7
145.09943	0.6
146.05984	1.8
149.09622	0.7
156.06505	0.7
156.08435	7.0
159.04758	34.6
164.07051	0.7
174.09142	0.7
185.06276	0.8
201.16489	0.6
202.08963	100.0
203.09166	0.8
212.07401	9.2
282.15216	16.6
300.16266	15.6
303.04333	0.6
318.06778	1.2
318.17236	8.4
318.20734	1.6
318.24130	1.3
318.30002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
55.01881	3.0
55.05519	2.3
56.05037	4.4
56.21405	0.6
58.99590	4.6
61.01149	0.6
62.31907	0.6
67.05505	1.8
68.05042	0.7
69.03429	0.8
69.07066	3.2
69.39773	1.2
69.40166	5.0
70.06597	1.4
74.68285	0.6
76.02235	1.5
79.05508	5.1
81.07063	8.4
84.04505	1.3
84.08144	0.9
85.01127	11.6
86.00656	25.2
86.02448	1.1
86.09686	1.1
86.99061	1.8
87.02699	12.0
87.03246	0.8
88.02196	0.6
88.03991	2.1
91.05463	1.6
93.07053	1.2
95.08631	1.4
96.08173	0.6
98.09705	8.6
98.21015	2.6
100.02180	0.9
101.04246	1.3
102.03772	1.1
105.00096	1.2
105.07034	1.0
109.10135	0.8
110.02421	0.7
110.09661	0.9
113.04224	8.3
120.08086	1.2
122.09698	0.7
128.03455	2.6
130.06696	0.8
131.01656	1.5
131.08450	0.7
132.01160	44.7
137.02370	0.9
138.02733	0.9
138.05450	1.0
140.89909	0.6
142.25887	0.7
143.07318	4.3
146.05978	1.8
156.08447	5.4
159.04762	30.4
167.03499	0.7
168.00563	1.8
168.03827	0.8
169.00948	1.3
171.03290	0.6
174.03996	8.3
174.05467	0.6
174.24960	0.7
180.03938	0.6
185.06372	0.7
186.01587	2.1
187.01952	1.1
202.08977	100.0
203.09305	1.3
212.07433	4.9
244.06926	1.3
275.05115	1.1
282.15210	7.4
300.16315	11.2
302.04443	0.9
303.04541	13.0
318.06857	33.5
318.17032	3.9
318.20819	1.1
318.30045	1.3
319.06934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08171	0.2
60.05650	9.5
63.33717	0.2
65.28534	0.3
69.07041	0.3
69.93105	0.9
69.93512	0.5
70.06594	19.0
71.04993	0.5
72.08150	3.7
84.08128	1.4
86.09711	1.4
88.07616	0.4
97.07666	1.4
98.21217	0.7
104.38606	0.3
112.08732	4.4
114.10302	2.7
115.08697	0.7
116.04998	1.4
116.07093	7.2
118.06554	0.4
130.08670	0.7
130.09760	4.2
136.06195	0.5
138.05411	0.4
141.06598	0.4
143.06065	0.5
144.04446	100.0
145.04813	0.7
145.07567	0.4
146.05902	0.4
156.10179	0.8
157.01089	1.4
157.10847	2.5
158.09250	11.7
163.03896	0.7
173.12839	0.9
175.11911	25.7
175.14410	1.9
185.02074	1.2
197.10648	0.3
201.09868	0.8
221.02882	0.4
258.12317	1.2
259.10959	0.9
263.06900	0.3
277.12943	0.8
292.15552	0.3
300.14581	2.4
301.12967	3.0
302.12372	0.5
318.15573	44.6
319.15604	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.0974
Annotation	Buxifoliadine-H
Peak:m/z	Relative Intensity
51.56983	0.2
51.60266	0.1
55.05497	0.2
61.02930	1.1
65.22285	0.2
68.51897	0.1
69.03421	0.2
69.07061	0.2
69.25542	1.7
70.06587	0.4
72.08141	0.7
76.51099	0.2
79.05478	0.2
84.04491	0.5
84.08122	0.7
85.02894	0.3
85.52831	0.2
85.98559	0.2
86.09713	2.7
91.03919	0.2
91.05479	0.3
98.06016	0.2
98.21111	0.9
105.06990	0.2
115.05453	2.0
116.04979	0.5
116.06232	0.8
116.07047	0.2
117.05766	0.7
118.06549	0.8
120.08104	1.0
128.04979	0.3
129.07034	0.4
129.10265	0.5
130.06517	2.3
132.04373	0.2
132.08092	2.1
136.06177	0.6
138.05478	1.1
142.06525	8.9
143.07310	100.0
144.04436	0.9
144.08113	8.3
146.06038	1.6
148.06212	0.3
153.01846	0.6
154.02165	0.4
154.06505	1.1
156.06595	0.5
156.08099	1.4
158.06035	0.8
159.06828	1.1
159.09192	1.0
160.07590	10.4
167.07283	1.0
168.08136	1.0
170.06001	2.9
171.06796	0.3
172.03932	0.4
172.07587	1.4
174.09108	0.2
175.11942	0.2
180.08127	0.4
182.06036	1.3
182.09631	0.4
184.07570	2.4
186.05495	0.2
188.07079	1.7
192.08041	0.3
194.06042	0.3
196.07571	0.7
198.05576	0.2
198.09218	0.4
200.07082	0.9
202.04965	0.2
202.08736	0.6
205.09729	1.2
208.07640	0.5
210.05595	0.3
210.09177	0.7
212.07123	0.8
214.08685	0.3
226.08656	0.7
228.06546	0.5
228.10233	0.3
230.05559	0.4
230.08188	1.5
230.10025	0.2
236.07199	0.2
238.08746	0.3
240.06625	0.5
242.08122	0.8
244.06030	0.5
244.09819	0.7
258.04968	0.3
258.07687	0.8
260.09106	0.5
260.11511	0.3
270.07755	0.5
272.09271	0.7
274.04465	0.3
275.04971	0.3
282.07779	0.2
286.04349	0.4
288.08615	1.1
290.10257	0.4
297.67020	0.2
300.08667	1.9
300.14209	0.3
301.15588	0.4
303.04495	1.0
318.06818	4.0
318.09845	28.2
319.10153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.0971
Annotation	Buxifoliadine-H
Peak:m/z	Relative Intensity
55.05508	0.3
61.02927	1.1
67.05495	0.3
69.14368	0.2
70.06586	0.3
70.19537	0.7
79.05485	0.3
82.41158	0.2
84.08160	0.5
90.12322	0.2
91.05449	0.4
93.07045	0.2
95.08624	0.2
98.21136	0.6
102.04696	0.3
111.41963	0.2
115.05457	1.7
116.05001	0.4
116.06232	0.7
117.05756	0.8
118.06528	0.7
129.06982	0.6
130.06516	1.7
132.08130	1.4
138.05537	0.4
140.04990	0.3
142.06525	8.1
143.07306	100.0
144.08104	8.1
146.05983	0.4
154.06505	0.8
156.08040	1.7
158.06047	0.8
159.06821	1.1
160.07587	8.7
167.07344	0.6
168.08151	0.6
170.06013	2.7
171.06801	0.3
172.07568	1.5
172.08858	0.2
180.08025	0.5
182.05968	1.2
182.09651	0.5
184.07591	2.1
186.01723	0.2
192.08127	0.2
194.06096	0.3
196.07645	0.4
198.09258	0.4
200.07021	1.3
202.08650	0.7
208.07654	0.4
210.05614	0.5
210.09151	0.8
212.07085	0.9
214.08652	0.4
226.08621	0.7
228.06535	0.3
230.08096	1.4
238.08647	0.4
240.06422	0.3
242.08147	1.1
244.09810	0.4
258.07587	0.6
260.09171	0.4
270.07678	0.4
272.09155	1.0
288.08707	0.9
290.10339	0.3
300.08716	1.7
303.04675	0.6
315.20499	0.2
318.09732	27.4
318.24103	1.3
318.29828	0.3
319.10147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2475
Annotation	Cannabigerol
Peak:m/z	Relative Intensity
53.03933	1.3
55.01862	1.5
55.05264	0.8
55.05512	15.4
57.03432	1.0
57.07077	6.3
65.03944	1.3
67.05175	1.0
67.05508	16.5
69.03432	3.2
69.07071	24.6
70.76597	1.2
70.76951	0.8
71.04989	0.9
71.08622	1.7
79.05055	1.0
79.05492	15.7
81.07059	21.8
83.04990	1.0
83.08620	9.2
85.06544	1.0
91.05481	18.3
93.07047	25.7
95.04984	3.0
95.05491	0.6
95.08610	13.3
97.06506	1.1
97.10146	2.4
103.05451	0.8
105.07035	39.9
107.04983	1.0
107.08593	20.9
109.06522	7.1
109.10156	5.6
111.08070	1.5
111.11756	0.7
115.05466	0.5
117.07013	4.2
119.06152	0.7
119.08582	31.3
121.06506	22.3
121.10133	8.1
122.07331	0.6
123.08088	4.2
123.11713	2.7
129.07008	1.7
131.07603	0.7
131.08568	9.9
133.06480	0.7
133.10141	18.9
135.08051	16.0
135.11691	8.1
137.13177	0.8
139.11168	0.8
143.08530	1.3
144.09340	0.9
145.10126	9.5
147.08026	1.4
147.11687	10.8
149.09602	2.6
149.13248	4.0
151.11151	0.7
157.10139	0.9
159.11700	6.5
161.09627	2.0
161.13257	13.2
163.11197	12.1
163.14822	1.9
165.12772	2.7
168.00568	1.2
171.11729	0.6
173.13289	2.3
175.11192	1.5
175.14832	7.2
177.12752	15.4
177.16299	1.0
179.14291	0.6
187.14793	1.9
189.12805	0.8
189.16377	4.7
191.14320	2.1
191.17859	0.7
195.50261	0.7
201.16418	2.2
203.14288	0.6
203.17981	1.3
205.15904	1.9
211.14827	0.9
215.17943	1.6
218.07484	0.6
233.19044	1.2
247.16801	0.7
261.18564	1.5
261.25720	1.3
271.24173	2.7
275.20142	2.8
281.22760	0.8
289.25266	16.4
299.23807	4.1
302.04163	5.3
317.06506	4.8
317.24762	100.0
318.25061	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2477
Annotation	Cannabigerol
Peak:m/z	Relative Intensity
53.00304	0.3
53.03938	1.3
55.01649	0.3
55.01874	2.6
55.05516	12.0
57.03426	1.0
57.07083	3.7
59.04996	0.5
65.03954	1.4
65.04253	0.3
67.05508	17.3
69.03436	3.2
69.07072	16.8
70.06611	0.3
71.04988	1.6
71.08635	2.4
71.57890	0.4
73.06554	0.5
77.03947	0.3
78.04691	0.4
79.05498	13.9
81.07060	22.2
83.04996	2.0
83.08624	5.9
85.06548	1.3
88.07655	0.3
91.05486	17.2
93.07050	23.3
95.04974	5.8
95.08610	13.9
95.09238	0.4
97.06534	3.8
97.10162	1.2
99.08114	1.4
103.05449	0.8
104.06300	0.4
105.04533	0.6
105.07036	31.4
107.04966	1.0
107.08601	15.5
108.05782	0.3
109.06527	8.7
109.10163	4.5
111.08095	1.2
115.05457	0.6
116.06204	0.4
117.07013	4.6
119.08587	25.4
121.06516	29.2
121.10139	7.6
123.08082	3.2
123.11715	2.2
125.09619	0.3
128.06192	0.3
129.07056	1.3
130.07762	0.7
131.08575	9.7
132.09372	0.7
133.06520	0.9
133.10138	13.5
135.08061	12.2
135.11699	6.0
137.09624	1.1
137.13251	0.9
139.11220	0.4
143.08580	1.9
144.09314	0.6
145.06483	0.3
145.10130	8.5
146.10934	0.4
147.08051	2.6
147.11688	9.1
148.08792	0.5
149.09625	2.6
149.13254	2.9
151.07458	0.3
151.11232	1.4
153.12727	0.4
155.08595	0.4
157.10168	1.1
159.11711	5.7
161.09637	1.7
161.13271	9.0
163.11189	13.6
163.14874	1.1
165.12761	8.7
168.00514	0.5
169.10115	0.6
171.11737	0.4
173.13260	2.3
175.11208	0.8
175.14845	3.2
177.12772	9.1
177.16338	0.6
179.10655	0.4
179.14305	0.7
183.11745	0.5
185.13271	0.8
186.01654	0.3
187.11177	0.3
187.14845	1.2
189.12743	0.6
189.16371	2.4
191.14304	8.8
191.18021	0.3
193.15883	0.4
197.13165	0.5
199.14842	0.6
201.16432	1.4
203.14438	0.4
203.18010	0.4
205.15863	1.5
205.19615	0.3
211.14796	0.3
213.16336	0.3
215.17964	0.7
217.15884	0.4
219.04327	0.3
219.17419	1.0
225.16412	0.4
233.19048	1.1
243.17325	0.3
247.16934	0.3
247.20673	0.3
249.18466	0.5
257.19168	0.3
261.18570	2.2
261.25824	0.6
271.24130	1.6
275.20084	1.9
275.23410	0.5
281.22562	0.5
289.21970	0.6
289.25266	11.4
299.23685	3.7
302.04269	2.3
317.06558	3.1
317.24762	100.0
318.25110	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05506	0.4
56.05035	2.5
56.96568	4.6
67.05505	0.8
69.03432	0.4
69.07069	1.6
69.41508	0.3
70.06590	2.0
70.98125	0.5
71.57372	0.3
72.08154	2.9
74.02444	0.9
75.05616	0.3
75.30891	0.3
79.05484	0.4
82.06577	1.1
83.06097	0.9
84.04514	2.4
84.08146	100.0
84.96052	0.3
85.02927	0.4
85.06538	1.1
85.08482	0.5
86.09708	27.5
87.05611	1.6
88.03990	0.5
89.03928	1.0
96.08125	0.3
97.02900	0.4
98.97595	2.3
100.11235	0.2
100.99165	0.3
101.07114	0.4
101.10791	4.3
102.09181	1.3
103.78737	0.2
107.04955	0.3
109.97282	0.2
110.97556	0.7
111.09200	0.6
111.87931	0.3
112.07594	0.6
112.08707	0.3
114.09280	0.3
116.03459	0.3
116.98634	1.1
117.03387	0.9
118.03682	0.4
118.08662	1.0
119.01933	0.7
121.06516	0.4
127.08696	0.7
128.98639	1.3
129.10245	57.5
130.05045	0.8
130.08652	0.7
130.10645	0.3
131.00191	0.3
131.01933	0.8
132.10214	0.4
133.06087	7.9
134.99666	0.7
135.04424	2.3
136.04756	0.8
136.06230	0.6
137.06587	0.5
138.05482	1.9
139.08681	0.5
141.10194	0.7
143.00156	0.3
143.05515	0.3
143.11827	1.0
145.02881	1.0
146.03181	0.7
146.99654	1.5
147.04324	0.4
147.07669	1.1
147.11305	1.0
149.02927	0.4
152.14345	2.2
155.08136	0.5
156.06558	1.0
157.03568	0.3
157.13367	8.8
158.99628	0.5
161.03000	0.5
163.03912	9.0
164.04266	4.1
165.00690	0.5
165.04367	0.3
169.09816	0.4
171.11339	0.4
172.97661	0.5
173.01366	0.3
174.99118	0.5
177.00658	1.2
179.04016	0.3
182.09253	0.3
185.12857	2.6
186.12349	2.7
187.04530	0.6
189.12340	1.6
190.98682	0.8
191.02254	0.4
193.00241	0.5
193.03560	0.7
194.03682	1.2
195.03415	0.3
196.05298	0.4
197.16501	6.6
200.10330	0.3
204.13481	0.7
208.96277	0.3
208.99704	0.5
209.02977	0.7
210.03188	1.1
211.02789	0.4
214.19139	0.9
217.00365	0.3
218.99800	0.5
219.01709	0.5
221.03023	1.2
222.03140	4.0
223.02797	0.6
224.17610	1.4
225.15942	1.5
228.05865	0.4
232.96420	0.6
235.01300	0.5
237.00717	2.9
239.04170	0.5
240.04300	1.7
241.03812	0.5
242.18625	3.2
246.14458	0.6
255.01697	0.6
257.01505	0.3
257.05038	0.9
258.05270	3.2
259.05020	0.9
263.05841	0.8
272.20828	0.3
274.99481	0.3
276.04361	2.0
277.03949	0.4
280.06586	0.4
281.06839	1.3
282.06543	0.6
282.18109	0.4
289.04422	0.3
294.05438	1.2
295.04926	0.4
299.17310	0.6
299.20578	0.4
300.19183	2.2
302.04184	1.8
312.06305	2.5
313.05936	0.5
317.02975	0.4
317.06287	1.7
317.12100	1.1
317.21866	18.0
334.96939	0.3
335.08008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
52.97176	1.5
55.05296	1.6
55.05513	17.5
56.24795	1.6
57.07061	6.1
59.04991	4.6
60.04520	9.1
61.39332	1.6
66.53743	1.6
67.05503	53.5
69.03419	6.7
69.07060	5.0
69.84069	3.1
69.84464	5.4
70.06596	3.3
71.04980	3.6
71.08656	1.8
79.05499	11.4
81.03421	2.2
81.07061	30.9
83.04971	3.0
83.08615	5.7
85.06536	3.7
88.07630	4.7
91.05482	17.1
93.07050	20.4
95.04976	28.1
95.08608	23.2
97.06518	8.9
98.20652	2.2
98.21232	4.6
102.09160	2.2
103.05486	1.8
105.07030	16.3
107.04925	2.7
107.08593	42.1
109.06507	20.8
109.10159	100.0
117.07005	5.2
119.08577	54.0
121.06505	6.1
121.10158	8.1
123.08058	27.1
125.05968	4.3
125.09678	2.7
129.06926	1.8
130.07796	2.3
131.08563	7.9
133.06485	5.6
133.10168	9.3
135.08069	14.2
135.11691	3.8
137.05984	3.1
137.09624	71.5
139.07588	2.6
143.08528	4.8
145.10091	11.2
147.08046	5.2
147.11674	3.6
149.09608	6.1
151.07545	72.0
153.05449	4.6
155.08548	2.8
156.09380	5.0
157.10109	3.6
159.07968	3.8
159.11728	5.5
161.09564	9.0
161.13223	2.1
163.07475	3.0
163.11183	6.4
165.09126	6.1
167.07010	4.5
167.54375	2.0
168.00597	3.0
171.11676	6.2
173.09639	2.7
173.13298	2.6
175.11183	3.3
177.09113	3.9
181.08600	5.7
181.12303	3.1
183.11720	4.3
185.09669	2.1
185.13254	2.9
189.12758	28.2
191.14322	2.8
199.11206	3.0
203.14301	3.3
205.12263	2.1
207.13812	26.6
213.12714	2.0
215.14343	4.7
219.13722	2.7
221.15370	5.2
223.14969	2.4
233.15413	5.4
237.14888	7.4
243.13770	7.9
256.26328	10.1
261.14886	5.2
271.20563	2.4
281.18988	2.3
299.20004	15.8
302.04141	10.7
316.53003	2.1
317.06516	13.4
317.21121	84.9
317.28870	6.2
318.30029	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	317.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	7.1
61.02922	7.9
69.03418	3.6
70.06581	11.2
71.57642	2.7
72.08143	11.5
73.02905	5.0
78.95625	16.6
84.04501	3.8
84.08151	43.4
85.02919	3.7
86.09706	12.9
87.49139	2.7
94.93008	15.2
97.02886	3.0
98.97579	10.1
101.00887	6.6
110.97584	2.9
112.89614	9.9
114.89364	18.8
116.98601	4.4
119.01931	20.9
128.98679	3.5
129.10249	33.9
131.01926	7.8
133.03477	5.3
136.94081	4.8
139.91473	19.4
143.05603	5.7
144.99789	3.6
145.03505	4.9
146.99594	3.9
147.01419	3.6
147.07753	3.1
147.11322	7.9
149.02943	4.5
155.01906	8.9
158.99744	4.6
161.02960	9.1
161.06586	9.1
163.03854	19.0
164.02806	2.2
164.04269	11.8
168.99828	4.9
171.04974	4.4
172.95247	7.7
173.02998	13.8
174.93752	3.2
176.97394	4.6
177.00925	8.7
177.02452	3.1
185.06581	5.8
186.08879	3.2
188.96950	3.7
189.02380	4.2
189.06166	4.0
190.91232	8.7
190.98755	4.2
194.03809	5.3
194.98453	5.5
196.95184	4.3
197.16562	3.6
202.22626	2.8
203.02556	9.5
203.07622	3.9
204.02191	3.3
207.06903	3.2
210.02930	4.2
213.02481	3.5
213.05786	3.6
214.96283	8.0
215.00421	5.3
215.96492	15.2
216.92783	100.0
216.94856	27.7
219.01758	5.0
219.03587	6.8
221.03140	4.6
222.03177	12.3
228.05624	6.4
229.05579	3.2
231.00111	8.7
231.93935	21.8
232.90132	28.1
232.92285	69.5
232.96399	4.4
240.04254	6.7
249.01390	3.2
251.02336	3.2
257.01376	5.1
257.05215	3.1
258.05267	11.1
258.07925	3.4
259.03229	3.8
275.02496	3.4
275.06100	4.6
276.04236	8.8
281.06934	6.0
292.98318	4.6
294.05264	5.7
312.06235	5.6
317.06424	5.1
317.12180	18.5
317.21780	9.6
335.03061	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0662
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
53.63191	0.2
56.96563	0.5
57.03437	0.3
59.76598	0.2
61.45934	0.2
65.03937	0.6
65.75546	0.2
67.23472	0.2
68.99797	0.6
69.03424	0.4
70.06598	0.6
71.58729	0.5
72.08127	0.4
73.02912	0.5
75.81245	0.3
81.03439	0.3
81.07085	0.3
81.81062	0.2
83.04973	0.3
84.04496	0.4
84.08163	1.2
84.96014	0.2
85.02917	0.7
86.09700	1.8
87.09383	0.2
87.10028	0.5
91.05482	0.3
92.02641	2.1
93.02936	0.3
93.03415	2.2
95.04925	0.2
97.02887	1.0
98.09688	0.2
98.97585	0.4
99.00822	0.6
103.05470	0.6
109.02872	0.4
109.10085	0.2
110.07131	0.2
110.97559	0.4
112.01613	0.4
116.98645	0.4
120.08099	2.6
121.02873	1.7
121.06481	0.3
122.03629	0.3
126.03122	0.9
127.00274	0.5
128.06180	0.3
128.98598	0.7
129.10243	1.2
134.03621	0.3
135.04431	0.4
137.02344	1.7
139.03899	1.2
140.00996	0.3
140.96527	0.2
143.00179	0.3
146.99651	0.5
147.04425	0.3
151.03911	1.5
151.05032	0.4
153.01834	14.1
157.13361	0.5
161.01244	0.3
163.03944	0.5
165.01874	1.2
166.01009	0.2
166.02440	0.3
168.00548	3.7
168.86539	0.2
169.01314	0.4
170.99678	0.4
173.06082	0.3
174.05554	0.2
175.01558	0.4
177.05501	0.3
179.03421	0.3
183.04425	0.3
186.01587	3.2
187.03912	0.5
200.04716	1.0
201.05496	1.6
203.03450	1.2
213.05388	0.3
217.05016	2.0
218.05777	1.2
219.02927	0.5
228.04166	3.2
229.04974	6.3
231.02904	1.0
239.03499	0.4
244.03085	0.3
245.04433	2.8
246.05260	2.6
253.03621	2.0
253.53830	0.4
256.03690	0.5
257.04480	3.9
259.11185	0.3
260.03159	0.3
262.04227	0.5
271.06012	0.7
273.03973	2.8
274.04712	5.8
284.03146	0.8
285.03925	6.4
287.05508	3.4
288.06131	0.3
299.05948	0.3
299.09195	1.0
301.03510	0.5
301.61261	0.2
302.04221	39.9
303.04602	0.4
317.06564	100.0
318.06995	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63191	0.2
56.96563	0.5
57.03437	0.3
59.76598	0.2
61.45934	0.2
65.03937	0.6
65.75546	0.2
67.23472	0.2
68.99797	0.6
69.03424	0.4
70.06598	0.6
71.58729	0.5
72.08127	0.4
73.02912	0.5
75.81245	0.3
81.03439	0.3
81.07085	0.3
81.81062	0.2
83.04973	0.3
84.04496	0.4
84.08163	1.2
84.96014	0.2
85.02917	0.7
86.09700	1.8
87.09383	0.2
87.10028	0.5
91.05482	0.3
92.02641	2.1
93.02936	0.3
93.03415	2.2
95.04925	0.2
97.02887	1.0
98.09688	0.2
98.97585	0.4
99.00822	0.6
103.05470	0.6
109.02872	0.4
109.10085	0.2
110.07131	0.2
110.97559	0.4
112.01613	0.4
116.98645	0.4
120.08099	2.6
121.02873	1.7
121.06481	0.3
122.03629	0.3
126.03122	0.9
127.00274	0.5
128.06180	0.3
128.98598	0.7
129.10243	1.2
134.03621	0.3
135.04431	0.4
137.02344	1.7
139.03899	1.2
140.00996	0.3
140.96527	0.2
143.00179	0.3
146.99651	0.5
147.04425	0.3
151.03911	1.5
151.05032	0.4
153.01834	14.1
157.13361	0.5
161.01244	0.3
163.03944	0.5
165.01874	1.2
166.01009	0.2
166.02440	0.3
168.00548	3.7
168.86539	0.2
169.01314	0.4
170.99678	0.4
173.06082	0.3
174.05554	0.2
175.01558	0.4
177.05501	0.3
179.03421	0.3
183.04425	0.3
186.01587	3.2
187.03912	0.5
200.04716	1.0
201.05496	1.6
203.03450	1.2
213.05388	0.3
217.05016	2.0
218.05777	1.2
219.02927	0.5
228.04166	3.2
229.04974	6.3
231.02904	1.0
239.03499	0.4
244.03085	0.3
245.04433	2.8
246.05260	2.6
253.03621	2.0
253.53830	0.4
256.03690	0.5
257.04480	3.9
259.11185	0.3
260.03159	0.3
262.04227	0.5
271.06012	0.7
273.03973	2.8
274.04712	5.8
284.03146	0.8
285.03925	6.4
287.05508	3.4
288.06131	0.3
299.05948	0.3
299.09195	1.0
301.03510	0.5
301.61261	0.2
302.04221	39.9
303.04602	0.4
317.06564	100.0
318.06995	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35175	0.3
50.60603	0.3
53.03953	0.5
55.01879	0.3
55.05512	4.6
56.05039	3.7
57.03438	0.7
57.07083	2.0
58.02950	0.4
60.04528	100.0
65.03942	0.4
67.05505	8.0
68.05038	0.6
69.07069	4.8
69.24554	2.9
70.06600	0.9
71.08632	0.9
72.04520	1.8
74.06084	2.7
79.05492	4.1
80.05030	0.9
81.03409	0.4
81.07059	9.2
82.06581	1.6
83.04991	0.6
83.08626	3.7
84.04520	0.4
84.08129	0.5
86.06079	0.9
87.04482	0.6
88.07601	0.3
90.05568	1.3
91.05484	3.1
93.07053	2.9
94.06583	0.9
95.04987	1.0
95.07349	0.4
95.08611	6.9
96.08150	0.6
97.06533	0.4
97.10172	1.8
98.21111	1.6
100.07600	0.5
102.05564	0.3
105.07044	1.7
107.08599	2.1
109.06530	0.3
109.10149	3.4
109.10819	0.4
111.08164	0.4
112.07627	0.9
114.09303	0.3
116.07104	0.4
119.08578	1.6
121.10136	1.3
123.08068	0.3
123.11741	1.1
133.10144	0.9
135.11711	1.0
137.09642	0.8
137.13252	0.4
147.11711	0.6
151.07555	0.8
167.03868	0.3
189.12715	0.3
193.09825	0.3
245.22673	0.5
250.25388	1.1
251.23582	0.4
258.36676	0.3
262.25226	1.4
263.23779	0.5
268.26419	0.7
275.92114	0.3
280.23285	0.5
280.26389	12.0
298.27405	13.3
302.04050	0.3
316.28476	35.7
317.21057	0.6
317.28867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.01889	0.6
55.05519	4.5
56.05042	3.9
57.03456	0.9
57.07083	2.2
58.02972	0.5
60.04530	100.0
67.05506	8.5
68.05019	0.7
69.07069	5.3
71.08653	0.7
71.49872	0.7
72.04510	2.2
74.06071	1.7
74.15841	0.5
79.05497	4.1
80.05031	1.6
81.07064	9.1
82.06597	1.3
82.85975	0.4
83.05017	0.5
83.08629	3.5
85.10176	0.6
86.06078	1.1
87.04500	0.7
87.73444	0.4
90.05582	1.2
91.05485	2.6
93.07027	2.8
94.06567	0.8
95.04929	0.6
95.08611	7.7
96.08183	0.7
97.06511	0.6
97.10186	1.7
102.05531	0.7
105.07057	1.4
107.08614	1.5
108.08134	0.4
109.10167	3.9
112.07629	1.0
115.93089	0.5
116.07119	1.0
119.08604	1.6
121.10162	1.6
121.12751	0.6
123.11741	1.2
132.16492	0.5
133.10156	0.7
135.11720	0.9
137.09627	0.5
147.11745	0.5
219.21237	0.7
250.25290	1.1
262.25305	1.4
268.26410	0.9
280.26398	13.2
298.27420	13.1
302.04214	1.4
316.28476	39.9
317.06372	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	316.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11152	0.3
55.05499	1.4
57.07067	0.6
67.05515	1.7
68.05021	2.1
69.07069	3.3
70.06593	10.8
71.04980	0.5
71.18634	0.6
71.77605	0.3
74.02458	0.4
77.84403	0.3
80.05002	0.4
81.07054	4.5
83.08614	0.8
91.05475	2.8
93.07063	2.5
95.08616	5.6
96.08125	1.3
98.06094	0.4
100.07626	5.4
105.07036	19.0
107.08598	3.4
108.08126	2.3
109.10152	1.8
114.05537	2.3
114.09168	0.6
116.07100	0.9
117.07030	2.6
119.08579	12.6
121.10149	2.0
122.09662	2.7
123.10439	0.4
126.09191	0.3
128.06192	0.3
128.07072	6.7
129.07042	0.6
130.06494	0.7
130.07748	0.5
131.08586	4.1
133.10129	7.6
134.09656	0.5
135.11708	0.5
137.13258	0.4
140.07108	0.6
140.10732	0.6
142.08656	4.1
143.08586	0.6
145.06502	0.7
145.10132	7.5
146.10934	0.3
147.11697	4.4
148.11179	0.6
149.13307	0.5
154.08626	3.4
159.11696	4.7
160.12462	0.9
161.13249	0.7
164.07228	0.4
168.10207	18.3
171.11711	1.0
172.11200	0.3
173.13295	2.4
174.12935	0.3
175.14836	11.0
178.08626	4.1
180.10199	0.9
182.11745	0.6
186.14110	0.5
187.14769	0.3
188.14314	0.8
192.10201	0.8
193.10970	0.8
194.11809	1.3
197.13255	0.4
199.14737	0.4
200.14267	0.3
201.16397	6.3
202.15884	2.0
203.17979	1.7
218.11763	0.3
228.17465	0.7
232.13344	1.4
233.14151	0.4
234.14877	0.9
246.14943	1.3
247.15672	2.2
255.17418	0.4
256.20667	1.4
260.16455	2.7
261.17343	0.6
269.04279	0.3
272.16473	0.5
273.17255	0.4
286.18011	8.8
301.20346	3.7
302.04184	1.7
316.08804	1.0
316.22723	100.0
317.06619	2.6
317.23077	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.05037	0.9
60.04537	0.6
62.82679	0.6
67.05499	0.9
69.07057	1.0
70.06585	2.5
71.23759	1.3
71.80431	0.5
80.98516	0.6
81.07064	1.2
84.04486	2.1
84.08130	2.1
86.06056	1.6
86.09706	100.0
87.04467	1.2
91.05485	0.9
92.02644	1.0
93.03418	1.4
93.07040	0.7
98.06064	2.5
99.75244	0.6
101.04249	0.7
105.07047	0.6
107.05023	0.6
108.08118	0.6
111.15290	0.7
120.08163	1.5
122.06033	1.4
124.07580	1.0
129.10258	0.9
130.06548	2.4
132.08119	1.1
132.10201	4.9
136.03972	0.8
139.03915	0.9
149.07547	0.9
151.03923	1.0
151.11142	0.9
153.01819	7.9
157.13364	56.3
158.13737	0.6
159.09105	0.6
174.08669	0.5
185.12859	21.8
188.07095	2.4
203.03354	0.7
205.09843	0.6
217.04951	1.3
225.10469	0.6
228.04234	1.9
229.04898	3.1
231.02742	0.7
234.14832	0.6
236.16429	1.5
245.04576	1.4
245.18604	4.5
246.05257	1.0
257.04431	1.6
259.11154	1.2
265.47250	0.6
270.12421	0.9
272.18604	6.6
273.03979	1.8
274.04715	3.2
285.03903	3.5
291.06152	0.6
298.16522	1.2
302.04224	9.8
316.05579	0.7
316.13135	2.0
316.21350	2.0
317.06552	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.05037	0.9
60.04537	0.6
62.82679	0.6
67.05499	0.9
69.07057	1.0
70.06585	2.5
71.23759	1.3
71.80431	0.5
80.98516	0.6
81.07064	1.2
84.04486	2.1
84.08130	2.1
86.06056	1.6
86.09706	100.0
87.04467	1.2
91.05485	0.9
92.02644	1.0
93.03418	1.4
93.07040	0.7
98.06064	2.5
99.75244	0.6
101.04249	0.7
105.07047	0.6
107.05023	0.6
108.08118	0.6
111.15290	0.7
120.08163	1.5
122.06033	1.4
124.07580	1.0
129.10258	0.9
130.06548	2.4
132.08119	1.1
132.10201	4.9
136.03972	0.8
139.03915	0.9
149.07547	0.9
151.03923	1.0
151.11142	0.9
153.01819	7.9
157.13364	56.3
158.13737	0.6
159.09105	0.6
174.08669	0.5
185.12859	21.8
188.07095	2.4
203.03354	0.7
205.09843	0.6
217.04951	1.3
225.10469	0.6
228.04234	1.9
229.04898	3.1
231.02742	0.7
234.14832	0.6
236.16429	1.5
245.04576	1.4
245.18604	4.5
246.05257	1.0
257.04431	1.6
259.11154	1.2
265.47250	0.6
270.12421	0.9
272.18604	6.6
273.03979	1.8
274.04715	3.2
285.03903	3.5
291.06152	0.6
298.16522	1.2
302.04224	9.8
316.05579	0.7
316.13135	2.0
316.21350	2.0
317.06552	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	15.5
56.96552	20.9
57.03434	22.1
60.17548	9.2
67.05505	52.9
69.07076	100.0
69.43512	51.0
69.43937	34.9
70.06609	21.8
71.04983	33.1
72.08154	12.5
73.06538	13.9
75.21755	9.7
79.05495	66.9
81.03423	18.8
81.07047	35.0
82.06582	21.6
84.04456	15.6
84.08134	17.5
85.02873	11.0
86.09690	18.2
88.07646	21.4
91.05469	45.1
92.24426	9.8
93.07044	63.5
95.04962	35.2
95.08609	28.3
96.08134	17.3
96.18710	12.0
97.06509	51.2
98.21085	40.7
105.07048	37.2
107.08648	19.8
109.10136	14.4
112.07613	22.6
113.05980	19.8
116.32111	9.4
117.07020	16.3
119.08555	24.4
120.08088	15.8
121.10142	44.1
130.04951	10.1
131.08569	25.9
132.01131	12.0
133.10114	15.3
135.08083	13.1
143.07057	72.7
149.09676	24.0
184.13312	20.4
195.10112	12.3
202.09001	13.0
270.10477	14.0
280.19012	25.1
298.20016	43.6
302.04248	53.0
316.15631	23.6
316.21185	35.4
317.06677	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49743	7.6
55.05514	14.9
57.03429	10.9
67.05484	31.6
69.07056	30.5
70.06561	8.1
71.04982	16.8
79.05499	37.8
81.03411	15.1
81.07048	30.7
82.06601	8.0
83.04971	10.4
84.08146	8.9
90.48701	7.0
91.05464	27.4
93.07028	39.0
95.04953	16.2
95.08590	21.6
97.06532	25.7
98.21345	40.6
105.07040	20.3
105.29035	9.7
107.04971	12.2
107.08598	21.2
109.06519	14.1
109.10162	10.2
113.05978	10.2
115.07556	16.8
117.06969	15.6
119.08572	16.7
121.06512	9.2
121.10156	19.5
123.08082	8.5
124.06530	8.0
128.85818	7.8
130.06546	9.0
131.08592	17.4
133.10059	9.8
134.15436	8.3
145.06483	9.8
149.09639	16.4
154.06517	100.0
157.10167	8.8
168.00661	9.1
174.00882	10.5
175.37912	8.0
182.06052	91.3
182.09634	13.9
200.07045	8.8
257.08768	8.2
302.04395	42.0
316.08624	26.4
316.12454	81.9
316.22824	20.3
317.06570	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	316.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15852	0.6
55.05508	1.6
56.05022	1.1
56.96557	1.0
60.04529	13.6
67.05517	0.7
68.05022	1.3
69.03430	0.8
69.07056	3.4
70.02959	0.9
70.06594	55.7
70.17789	1.1
70.18157	2.7
72.04494	1.0
72.08164	8.2
79.05474	0.8
80.25566	0.7
82.06596	0.8
84.04501	3.5
84.08144	9.5
85.02862	1.1
86.09708	66.7
87.05602	8.2
87.10052	0.9
88.03960	1.1
91.05492	1.4
93.07023	1.0
94.06526	0.7
102.05564	1.0
106.93327	0.7
107.08556	0.7
108.08093	1.2
109.02914	0.9
110.07161	1.6
110.09628	0.6
112.11197	0.8
114.05617	0.7
116.07095	100.0
120.08085	1.7
124.07594	0.7
126.05585	0.7
128.10719	5.4
129.10239	5.1
130.06538	2.6
132.08115	0.9
132.10197	0.8
136.06190	1.3
136.07590	1.2
137.08385	1.9
138.09117	0.8
145.02837	0.7
146.06001	1.9
149.09645	0.8
154.08621	4.2
157.09711	1.0
158.08174	0.7
159.09151	1.0
159.37471	0.7
163.03874	1.2
170.06317	3.9
171.14915	2.0
172.09872	0.9
173.12868	42.0
177.09126	1.2
185.09277	1.5
188.07097	1.8
199.14325	0.9
199.18080	4.0
201.12338	9.6
203.13908	1.3
207.08183	0.8
216.12398	1.3
221.02936	0.9
227.17601	1.9
229.15448	1.6
257.03323	1.1
270.11847	2.7
302.04355	1.7
316.08990	1.1
316.11923	1.6
316.14828	1.2
316.17819	2.6
316.21252	0.9
317.06525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01866	4.4
55.05299	1.3
55.05513	14.2
55.31617	1.4
56.05029	4.8
57.03440	2.2
58.06602	3.0
58.99582	1.4
60.04525	30.7
67.05508	15.2
68.05019	2.8
69.03426	5.5
69.07073	7.2
70.02944	5.1
70.06598	12.9
71.04987	3.5
71.58294	1.9
71.69576	1.2
72.04522	2.1
72.08152	12.4
74.06073	1.7
79.05491	14.5
80.05028	6.4
81.03417	47.1
81.06639	1.8
81.07061	22.7
82.06579	4.3
83.04972	13.9
83.08620	16.7
84.04504	5.4
84.08138	8.6
86.06057	2.3
86.09706	22.9
88.03996	13.9
91.05479	20.1
93.07053	14.2
94.06575	4.2
95.04965	15.8
95.08593	8.1
96.04500	3.6
96.08144	2.2
97.02900	2.9
97.06532	3.9
97.10178	4.9
98.06049	4.6
102.05548	2.2
105.07037	14.7
106.05028	62.6
106.06535	2.1
107.04946	4.0
107.08591	9.4
108.04424	1.2
108.42303	1.2
109.06513	2.7
109.10181	3.1
110.06062	3.0
110.07137	1.2
111.04418	1.5
111.08081	8.3
112.58994	1.4
115.08710	1.6
116.03442	8.0
116.07070	1.7
117.06989	1.8
119.08586	12.0
120.08120	2.8
121.06465	2.2
121.10133	9.9
123.08089	1.7
123.11667	2.0
124.07559	1.4
125.09622	2.6
129.07036	6.7
129.10220	3.3
130.06508	1.7
130.35420	1.3
131.08566	10.3
133.06468	3.3
133.10106	9.2
136.07562	1.9
137.09641	1.6
138.12770	1.4
141.06914	1.4
142.04982	1.5
145.10136	2.0
147.11652	6.8
149.09637	17.2
150.12845	1.4
154.08694	1.4
157.01120	3.8
157.10109	6.7
162.12819	1.3
167.10658	2.4
168.00615	2.0
175.11153	11.1
177.09106	10.5
180.13849	6.6
182.11752	1.3
185.16505	7.8
189.69659	1.4
190.12206	2.0
193.12250	49.9
195.10179	16.9
198.14946	1.7
206.15248	1.6
207.08383	1.3
208.13329	23.0
210.14830	1.8
211.13297	100.0
213.15955	3.8
215.22002	1.3
217.15466	1.4
226.14372	36.9
227.64011	1.3
236.12782	1.7
239.02214	1.5
244.15385	10.8
252.15955	3.9
254.13887	17.8
257.03320	1.4
270.11655	10.7
270.16898	4.8
272.14938	33.5
272.17856	1.3
298.13330	1.4
298.16504	6.5
299.09479	5.6
302.04218	5.0
316.05261	1.7
316.08704	2.7
316.11978	22.3
316.17432	23.2
316.20837	2.6
317.06552	5.4
317.11676	1.3
317.15143	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
53.63900	0.7
55.01862	1.3
55.05510	6.1
55.43708	0.9
56.05035	13.1
56.96549	1.2
58.99585	11.3
60.04514	0.8
64.51022	1.0
64.64423	0.8
65.03930	3.6
67.05501	18.2
68.05019	1.1
69.03426	1.0
69.07073	6.8
70.02948	1.5
70.06583	3.1
71.04985	3.0
71.58230	1.4
73.01134	8.1
74.00661	1.5
76.02240	4.9
76.23978	0.8
79.05489	16.0
80.04998	2.9
81.03435	1.2
81.07059	23.5
82.06577	12.2
82.07369	1.1
83.04969	2.6
83.08590	4.6
84.04514	1.2
84.08135	2.5
85.01142	5.8
85.02886	1.2
85.06533	2.3
86.00651	20.6
86.09708	1.7
86.99067	5.3
87.02695	2.3
88.02216	7.5
88.04005	6.3
91.05482	19.7
93.07037	17.2
94.06570	3.9
95.04961	3.1
95.08607	9.7
96.08121	2.5
97.01117	13.9
97.06500	2.5
97.10164	1.4
98.21167	1.6
98.89822	0.9
99.02687	9.4
100.02182	2.0
105.00088	1.9
105.07037	9.4
107.08595	7.8
108.08132	2.3
109.06500	1.2
109.10153	4.9
110.09673	1.9
111.02654	4.5
112.07608	1.2
113.04233	3.0
113.09660	1.0
114.03769	1.4
117.07002	2.4
119.08586	4.8
120.01151	1.7
120.08083	1.0
121.10139	2.3
122.02747	6.2
122.09711	0.8
123.02676	2.0
123.08069	1.4
124.11298	1.1
125.04227	3.4
129.07030	4.8
130.06534	1.0
131.08585	7.7
132.01155	23.9
132.02097	1.9
133.10132	15.7
134.02663	1.2
135.10660	0.8
135.11719	3.7
137.02403	1.1
137.04172	1.8
137.09604	1.1
147.11693	7.3
149.04230	1.2
149.09671	1.1
149.13287	5.5
157.10130	3.9
159.11702	6.6
160.04256	1.0
165.07373	1.3
168.00510	5.5
173.01324	0.9
175.11174	5.0
177.00618	1.0
177.12744	11.7
181.10460	3.5
182.06253	1.0
186.01624	5.1
191.08914	5.8
192.13655	1.1
193.12312	3.4
194.15421	9.7
195.13907	1.7
209.09918	8.5
211.11664	1.4
212.16438	8.2
217.10478	1.2
218.15311	1.5
224.16370	1.1
227.11067	5.5
236.16472	1.2
252.14249	8.3
253.12660	1.5
270.15250	20.9
274.04837	1.5
288.05960	1.2
298.14746	16.4
301.06570	1.3
302.04184	24.8
316.08917	2.7
316.15820	100.0
316.22821	6.0
317.06577	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	315.1338
Annotation	2-hydroxy-5-[(1E)-(2-phenylethylidene)amino]-L-tyrosine
Peak:m/z	Relative Intensity
55.01865	1.4
55.05503	1.2
56.05037	0.8
62.17817	0.4
65.24968	0.4
67.05489	0.5
69.07085	0.9
69.91270	1.7
70.06591	6.7
72.08162	4.7
72.33092	0.4
73.42673	0.5
74.06081	0.9
75.70562	0.4
82.52302	0.4
83.06097	1.1
84.04507	2.4
84.08137	4.4
85.02898	0.5
86.09711	3.6
88.03979	0.5
91.05494	0.6
95.04969	0.5
95.08570	0.6
98.21437	0.4
98.50589	0.4
100.90325	0.4
110.07198	0.7
112.08746	0.6
115.08745	0.5
116.07069	0.5
119.04948	0.5
129.10243	2.3
130.05008	1.3
135.04410	1.2
136.04727	1.0
136.07573	0.7
143.15706	0.4
147.04408	0.8
153.06975	0.5
164.07016	0.4
165.07043	1.9
166.07848	0.6
173.12819	0.6
175.11835	0.4
177.06976	0.6
178.07768	7.9
179.08563	33.6
181.06502	3.7
183.08025	1.0
189.07016	6.0
190.07814	0.7
191.08585	0.9
193.06522	1.2
195.08047	1.5
197.09502	0.5
204.08092	0.6
205.06487	1.5
206.07300	2.1
206.09671	3.1
207.08057	94.2
208.08217	0.8
209.05984	1.1
209.09694	0.8
210.06888	0.5
210.09131	0.7
211.07536	0.9
217.06458	7.9
217.08516	0.6
218.07234	1.0
219.07797	0.4
221.05896	2.2
223.07529	0.7
224.10712	0.8
234.06908	0.8
234.09114	2.0
235.07544	31.7
238.08635	1.0
245.07031	0.6
251.11797	2.7
252.10202	100.0
253.10629	1.1
263.06958	0.5
269.12915	2.8
270.11234	1.4
280.09637	1.4
297.12344	32.9
298.07443	0.7
298.10706	11.6
300.06229	1.6
314.68048	0.7
315.08337	2.5
315.13525	19.5
315.19955	1.7
337.89987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86707	0.8
55.01875	3.3
55.05517	7.2
56.05037	2.0
56.96552	1.0
57.03436	7.8
65.03941	0.9
67.05507	12.4
68.05035	3.4
69.03427	6.3
69.07066	5.3
70.06591	32.4
71.04998	6.0
71.57954	1.3
71.58360	1.1
72.08162	2.8
73.02921	2.6
77.00629	1.7
79.05499	12.4
80.05016	1.9
81.03416	2.3
81.07054	16.7
82.06585	2.8
83.04985	8.2
83.08611	4.8
84.04506	3.4
84.08152	4.1
85.02913	1.9
85.06565	2.6
86.06072	20.0
86.09718	3.7
87.04470	18.6
87.04964	1.7
91.05482	27.4
93.07035	9.8
94.06562	2.3
95.04971	19.3
95.08604	11.2
96.08136	1.9
97.06518	4.7
98.06057	37.0
98.09711	4.3
104.07108	34.1
104.07774	2.0
105.07039	16.6
107.04950	11.3
107.08591	5.2
108.08141	2.3
109.06539	8.1
109.10157	5.7
110.09755	0.9
111.04430	5.5
112.07605	1.1
116.98602	1.3
117.07052	3.5
119.01643	10.5
119.08588	10.6
120.08130	2.2
121.06544	2.9
121.08382	1.0
121.10154	3.4
123.08131	3.6
124.07610	3.5
124.15980	0.9
125.09626	1.1
126.05526	1.5
126.09160	1.1
129.07005	11.7
130.05032	1.1
130.06586	2.2
131.08585	9.2
133.06522	4.0
133.10143	13.5
135.08057	6.2
135.11681	1.0
136.06212	2.4
136.07549	1.4
137.06010	1.7
137.09619	5.4
138.05571	1.4
140.07077	1.3
142.07727	1.8
142.08673	4.1
144.10182	6.7
145.10138	2.4
147.11676	14.1
148.07603	2.4
149.09651	11.7
150.09236	1.3
151.07578	5.3
151.11168	14.5
151.12306	1.0
152.07080	1.7
152.14336	9.6
154.08655	3.9
157.10104	8.9
163.11238	1.1
165.12727	6.5
166.08757	1.1
168.10226	1.1
175.11201	16.9
181.12195	1.2
192.13931	1.7
193.12238	37.2
196.16940	4.8
222.14998	2.7
226.18108	1.3
227.11914	2.3
236.16457	2.2
250.18076	2.9
254.17529	24.3
255.11383	3.1
259.08063	0.9
260.16428	11.5
269.12869	1.3
270.15213	7.5
278.17523	40.4
287.14178	1.2
290.96970	1.1
296.18536	9.6
296.21280	1.1
297.12234	1.8
298.10858	2.6
314.13898	7.3
314.19720	100.0
314.22943	4.1
315.05249	1.2
315.08798	2.1
315.13327	6.1
323.12912	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.7
56.94331	0.9
58.06586	2.4
62.28313	0.6
63.02407	0.7
68.05010	0.9
69.07058	1.0
69.56018	1.4
69.56432	4.3
70.06593	5.7
72.08143	3.9
79.05478	2.3
81.07062	1.4
82.06580	0.7
82.07392	1.2
84.04515	4.1
84.08139	3.1
86.09700	7.4
89.03922	6.2
90.05541	1.3
91.05455	0.9
97.02887	1.5
107.04963	2.7
110.07149	1.4
116.07119	1.1
117.03374	7.5
120.08098	0.7
120.17549	0.7
126.05560	0.9
128.07111	0.7
129.10176	0.8
130.04976	1.2
133.02840	1.1
135.03397	1.6
135.04413	18.8
136.06175	4.3
142.05005	0.8
145.02853	10.9
157.08784	1.6
163.03914	100.0
182.04939	1.6
187.14384	0.9
197.12830	1.2
198.06973	0.9
209.32724	0.9
210.11063	0.8
211.11642	1.9
216.05183	0.9
242.99007	0.8
265.31967	0.8
298.10660	3.4
299.11502	2.1
314.13885	4.2
314.19888	1.3
314.27902	1.2
315.08615	1.1
326.24216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.7
57.03439	20.8
57.07076	60.7
67.05502	12.4
69.06719	0.8
69.07066	10.6
70.98582	1.1
71.04993	0.8
71.08631	38.4
79.05482	0.9
80.54906	0.6
81.07053	17.0
83.08140	0.8
83.08618	12.5
85.06527	0.8
85.10179	22.9
88.41075	0.6
89.06017	2.7
93.07059	1.2
95.08607	23.4
97.10171	6.8
99.11734	1.2
103.07566	2.2
109.10149	12.8
111.11703	2.1
116.42431	0.6
117.09117	1.6
123.11692	4.3
134.76299	0.7
137.13228	2.3
145.10254	0.8
151.14783	0.8
239.23691	4.3
257.24814	5.9
313.27356	100.0
314.27698	1.4
330.98105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.05267	0.6
55.05513	7.7
57.03441	19.1
57.07077	60.7
61.65359	0.5
62.99767	0.6
67.05508	10.3
68.87805	0.6
69.07067	8.5
69.90950	2.2
69.91360	1.3
69.93127	0.5
71.08634	37.3
79.05502	1.1
81.07059	15.0
83.08622	13.4
85.10187	21.0
86.97115	0.6
89.06030	3.0
93.07092	1.1
94.00468	0.6
95.08607	21.8
95.89608	0.6
97.10181	5.3
98.20835	1.2
98.21394	1.2
99.09232	0.6
99.11659	0.9
103.07594	3.2
107.08588	0.6
109.10154	10.6
111.11712	1.9
113.22648	0.6
116.97294	0.6
123.11703	3.8
125.13276	0.9
137.13242	2.0
147.53334	0.6
148.53542	0.6
221.22743	0.8
239.23729	4.0
244.74052	0.6
257.24762	7.0
268.04074	0.6
271.73346	0.6
281.15857	0.5
298.27625	0.7
313.27371	100.0
314.27695	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2373
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
55.01879	14.3
55.05523	30.7
57.03443	9.6
57.07073	8.6
66.20105	5.5
67.05198	7.5
67.05503	57.8
69.07068	40.4
71.04991	6.7
71.08633	6.3
71.31939	9.9
73.49158	5.9
77.91439	5.4
79.05489	34.7
81.07056	76.0
83.04982	7.8
83.08613	44.6
85.06556	8.4
85.87628	6.6
86.94699	7.3
91.05470	27.7
93.07053	46.3
95.04965	13.3
95.08608	100.0
97.06507	17.6
99.08124	11.2
105.07029	29.0
107.08620	28.5
109.06485	8.6
109.10146	27.0
111.08073	14.3
111.13792	5.9
113.09635	23.1
117.06998	6.5
119.08570	20.9
121.10136	29.2
123.08076	10.8
125.09641	14.0
129.07048	8.1
129.09106	8.3
131.08575	11.4
133.10115	25.4
135.11670	17.7
143.08553	7.0
145.10056	10.9
147.11679	24.1
149.09680	7.4
149.13235	18.7
161.13264	17.0
163.11206	10.3
163.14844	14.1
171.11685	9.2
189.12787	8.6
195.13893	7.6
207.13799	9.8
221.15224	6.0
223.16963	8.7
259.20486	11.0
277.21680	60.6
295.22668	14.7
313.06897	8.3
313.21552	8.6
313.27103	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	312.1805
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
53.03906	0.5
55.01847	0.7
55.05477	1.9
56.05000	2.3
57.03402	1.0
58.24250	0.5
60.04474	0.6
67.05462	2.2
68.05006	1.3
69.07027	2.3
70.06591	3.1
71.04952	0.6
71.57733	0.5
72.08110	2.4
73.02869	0.7
74.06073	0.5
79.05490	4.4
80.04980	1.1
81.03386	0.7
81.07021	2.4
82.06543	0.7
84.04455	2.2
84.08131	2.9
86.09709	1.3
87.04489	0.7
88.03967	3.9
91.05424	1.9
93.05714	0.7
93.07050	6.6
94.06506	1.9
95.04958	0.7
95.08571	2.1
96.04472	1.0
96.08097	0.7
100.03925	1.2
100.74208	0.6
102.05525	1.1
105.03347	0.9
105.06980	2.4
107.04933	0.7
107.08600	3.9
108.08118	22.5
109.08882	1.3
109.10105	1.1
110.07146	0.9
110.09645	2.5
113.07145	3.1
116.03413	1.0
119.08563	2.6
120.08112	4.1
121.08488	0.7
122.09667	14.9
122.26036	0.5
123.10421	1.9
124.11217	0.7
125.66503	0.5
126.05494	0.6
128.03386	1.0
129.10205	0.6
130.04950	1.5
131.65353	0.5
133.02792	2.5
133.10114	1.3
134.09616	0.8
135.11662	5.0
136.07585	0.9
136.11234	4.0
137.05971	1.3
137.70242	0.7
138.05397	1.5
138.09067	0.9
139.12283	1.0
145.02759	0.6
146.03059	0.9
146.04413	0.7
147.11681	0.8
148.06001	0.5
148.11197	0.8
150.12781	23.1
151.12430	0.9
151.13559	9.4
152.06982	1.1
153.15096	1.0
157.91660	0.7
162.12691	1.3
163.11174	0.8
164.14322	0.8
165.07841	0.8
166.08606	2.1
166.12222	1.1
168.10211	0.7
169.13455	0.6
176.14223	0.7
178.05739	1.1
178.15854	1.5
179.03358	1.6
179.14404	0.8
180.10175	1.2
180.13762	0.6
184.63570	0.6
194.08009	1.1
194.11740	2.4
196.06013	1.0
196.09703	0.9
200.09282	0.8
205.59435	0.5
206.11775	0.9
208.13350	3.3
209.94864	0.6
210.14880	0.9
214.10722	1.0
220.13249	1.1
222.07541	0.6
222.14818	3.1
224.09174	1.7
224.12778	1.9
226.10681	0.7
238.10703	2.5
238.14319	0.7
239.11546	0.9
240.08583	1.5
248.07872	0.5
250.14391	1.7
252.10945	1.4
253.38148	0.6
266.13797	2.1
266.17484	1.7
268.15433	100.0
269.15744	1.4
270.17023	6.4
276.82822	0.5
284.19598	1.3
294.13782	0.9
294.17047	1.8
312.18057	69.0
313.18311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1807
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
55.05514	1.7
56.05030	3.2
57.03440	6.5
67.05507	2.0
68.05037	1.9
68.82539	1.2
69.03428	1.4
69.07073	3.2
70.06598	6.7
72.08154	5.6
74.06078	1.9
77.03921	4.4
79.05480	2.1
80.04588	1.3
80.05019	5.3
81.07034	2.6
82.06608	1.4
84.04512	4.4
84.08136	5.8
86.09683	2.8
91.05508	2.6
93.07028	3.3
95.05016	2.1
95.06110	1.8
95.08607	2.4
96.08162	1.7
97.06529	4.4
97.37505	1.3
105.03408	7.5
105.07052	2.1
107.04906	1.3
108.08130	13.9
109.06522	1.6
109.08907	3.0
110.07168	8.0
114.05518	2.7
116.07114	1.3
119.04938	2.4
120.08137	3.2
121.06484	1.3
122.09679	4.2
123.04431	3.7
129.10274	1.9
130.05005	3.2
132.04491	1.9
133.02873	25.8
136.07614	4.6
138.05528	9.8
139.06290	2.1
139.11186	2.8
147.04424	3.9
148.07600	2.0
148.11238	3.6
150.07884	1.5
150.09158	3.1
151.03932	5.0
151.11258	1.7
153.06941	1.4
161.02373	3.0
165.11578	2.6
166.07278	16.6
166.08664	10.4
166.12309	4.0
167.09326	2.8
167.10637	1.8
168.10260	5.2
177.07845	3.4
178.05971	3.1
178.12291	1.5
179.03403	12.0
180.06615	2.0
182.08102	2.3
194.08109	1.7
194.11836	5.8
195.08908	11.9
199.06786	1.2
205.25439	1.2
206.11763	23.4
206.15430	2.0
210.11282	8.8
212.12885	4.0
215.13727	1.2
220.73070	1.3
222.15009	1.5
223.07600	1.3
224.12828	52.2
239.11469	2.2
250.14450	6.2
257.23630	1.6
268.15445	66.2
269.30377	1.3
280.15375	4.8
294.13467	1.4
294.17035	3.0
295.04550	2.9
312.18091	100.0
313.08902	2.2
313.18280	2.7
317.10880	1.4
322.67700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.1
53.03937	2.2
55.05515	2.4
56.05029	2.1
67.05526	1.6
69.07069	2.4
70.06590	6.0
71.58077	1.6
72.08163	4.3
74.06071	1.8
77.03928	13.0
80.33568	1.3
81.03391	1.4
81.07056	2.6
84.04507	3.2
84.08133	7.2
85.02913	2.0
86.09706	6.2
91.05482	1.9
95.04973	5.7
105.03391	27.1
107.04932	4.3
108.08129	1.4
110.07149	2.8
117.03379	1.7
118.03699	3.2
120.08163	1.8
123.04456	11.2
129.10242	4.2
133.02855	100.0
137.05905	1.9
142.05128	1.4
145.02838	2.7
146.03198	5.8
151.03914	5.1
156.08528	1.8
161.02379	12.3
168.17508	1.9
177.05435	4.5
178.05872	8.9
179.01807	2.8
179.03401	55.1
186.82986	1.3
210.11224	1.9
220.08331	1.3
223.07657	1.4
250.14371	1.8
252.10968	1.4
268.15524	2.0
277.03433	4.0
284.19781	2.0
288.13068	1.5
295.04474	6.4
312.14334	2.3
312.18137	4.5
312.26248	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.8923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55564	3.0
57.38054	3.2
60.34041	3.6
71.28112	7.6
94.93016	49.3
98.97585	3.4
104.10718	4.1
110.07224	3.0
112.89611	71.9
122.64209	3.6
128.02286	4.6
138.05508	26.0
139.91476	60.9
141.91301	12.4
150.91975	6.5
206.88654	14.1
210.89401	7.0
210.94070	100.0
210.96066	6.1
211.97520	7.9
213.03381	3.5
225.01262	3.6
226.86775	10.0
248.89651	86.5
282.03479	5.3
311.12518	15.3
312.04642	6.2
312.12628	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	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03936	2.7
55.01863	2.6
55.05515	63.2
57.03440	26.6
57.07079	29.1
67.05505	8.0
69.07071	67.1
71.08638	15.9
71.11411	1.2
71.29614	0.8
73.02892	1.0
73.06570	0.8
74.46171	0.6
79.05505	7.4
81.07061	12.8
83.04990	1.5
83.08623	54.5
85.06577	0.8
85.10183	6.1
88.88052	0.7
91.05463	1.0
93.07043	6.7
95.08606	8.6
97.06541	5.2
97.10175	38.6
98.20885	0.9
98.74353	0.7
102.90583	0.6
107.08618	4.5
109.10152	2.3
111.08077	2.8
111.11726	11.2
121.10133	7.5
123.11672	2.0
125.09674	1.9
125.13268	2.2
135.04353	0.7
135.11702	6.6
137.13278	0.9
139.11176	2.1
149.13252	2.4
163.14815	1.7
177.16360	0.8
219.21068	1.6
237.11186	1.0
237.22166	0.9
250.23483	0.8
311.25815	100.0
312.26108	1.9
313.76645	0.7
331.63937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01868	1.7
55.05513	64.1
57.03440	24.1
57.07076	31.1
67.05217	0.7
67.05509	7.9
69.07069	65.5
69.59082	5.4
71.04988	0.7
71.08634	19.2
73.02910	1.8
79.05497	7.3
81.07056	12.2
83.04949	0.9
83.08618	54.8
85.06549	0.8
85.10184	7.3
93.07043	6.8
95.08607	9.6
97.06543	6.4
97.10172	41.7
98.20795	1.8
106.30531	0.8
107.08588	5.9
109.10186	4.0
111.08030	2.5
111.11724	12.7
115.07578	0.9
121.10128	7.8
123.11700	2.4
125.09645	2.8
125.13266	2.2
135.11702	4.5
137.13251	1.6
139.11253	1.6
149.13255	2.7
161.09610	1.2
163.14864	1.5
164.30009	0.7
179.95268	0.7
209.11713	2.3
219.21111	2.5
237.11171	1.1
278.10254	0.9
311.25803	100.0
312.26184	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03942	2.9
55.01889	1.8
55.05514	59.7
55.05784	3.2
57.03441	19.8
57.06815	2.7
57.07078	29.4
67.05511	11.6
69.07069	64.2
71.04951	1.9
71.08636	19.6
72.04516	17.2
73.04861	4.2
77.77400	1.6
79.05501	7.3
81.07064	13.6
83.04981	2.7
83.08624	64.1
85.10184	5.5
89.80087	1.6
93.07036	7.0
95.08593	9.3
97.06546	6.3
97.10175	39.7
98.20802	4.6
98.21489	4.1
107.08603	6.9
109.10147	3.2
110.91055	1.4
111.08105	4.3
111.11740	12.9
114.09163	2.0
121.10141	6.0
125.09617	2.2
125.13291	2.7
135.04404	13.8
135.11714	6.1
149.13260	3.2
161.09570	14.0
161.10738	1.6
163.14909	1.5
209.11736	5.7
237.11246	5.4
311.16568	9.3
311.25845	100.0
311.31314	22.1
312.26056	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	311.258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47588	0.7
52.77018	0.7
53.03934	2.0
55.01861	1.6
55.05514	52.3
56.38822	0.7
57.03440	21.6
57.07077	23.6
67.05505	8.3
69.07072	61.6
69.81367	0.6
69.89969	3.5
71.08630	15.4
73.02905	0.7
73.06547	0.9
73.77428	0.6
79.05491	6.9
81.07059	11.7
83.04988	1.6
83.08624	51.7
85.06551	0.9
85.10190	5.1
91.05459	0.9
93.07047	6.7
95.08612	8.7
97.06533	5.4
97.10175	38.4
98.21083	1.7
99.08102	0.7
107.08591	5.4
109.10160	2.3
111.08076	3.0
111.11726	11.7
115.07613	0.9
121.10147	7.2
123.11724	1.9
124.36852	0.6
125.09608	2.2
125.13246	2.7
126.25324	0.7
135.04422	1.6
135.11702	6.2
137.13261	1.3
139.11182	1.9
144.67146	0.7
148.78064	0.7
149.13242	2.1
153.05411	0.7
153.12761	0.9
161.09651	0.8
163.14859	1.5
167.14270	0.9
170.69911	0.7
171.34201	0.6
177.16385	0.8
181.60420	0.7
209.11681	1.9
219.21053	1.6
237.11215	2.2
237.22125	1.2
255.95944	0.9
311.25809	100.0
312.26160	2.2
322.03720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2368
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
53.03937	7.2
55.01872	4.2
55.05294	2.7
55.05512	32.1
57.03421	8.8
57.07063	9.5
65.03944	4.2
67.05503	48.6
69.03423	2.9
69.07069	68.3
70.84980	7.4
71.05001	2.7
77.03936	2.8
79.05492	29.6
81.03413	5.9
81.07056	52.7
83.05000	3.8
83.08630	19.9
85.06561	2.8
91.05482	43.5
93.07048	100.0
95.04971	58.4
95.08608	92.6
97.06537	30.7
97.10141	9.9
98.21202	4.6
103.05424	3.8
105.07032	82.2
107.07864	3.4
107.08593	60.7
108.98371	2.5
109.06522	14.3
109.10162	43.1
111.08037	2.5
111.11704	3.2
113.81030	2.4
115.05472	4.1
117.07031	18.7
119.07797	3.7
119.08594	64.5
121.06512	21.5
121.10139	54.3
123.08064	18.9
123.11710	15.2
127.11358	2.4
128.06223	2.7
129.07004	8.0
130.07790	7.9
131.08557	24.3
133.10135	35.2
135.04427	11.8
135.08064	11.4
135.11688	19.1
137.09578	3.3
137.13269	7.2
142.07776	11.6
143.08580	20.2
144.09322	5.6
145.10129	45.4
147.08125	3.0
147.11679	22.7
149.09579	4.8
149.13231	5.5
154.07761	3.1
155.08546	6.5
156.09326	5.5
157.10133	36.7
159.11694	47.4
161.09616	18.3
161.13246	11.3
163.11183	5.3
163.14758	3.4
167.08604	4.3
169.10127	11.1
171.11720	19.3
173.09648	3.4
173.13284	13.3
175.14870	14.9
177.16411	23.1
183.11757	4.8
185.13240	12.5
187.11137	3.9
187.14795	7.7
189.12755	3.6
189.16393	16.0
191.18022	3.7
193.10146	2.9
195.11661	6.0
197.13205	13.0
199.14838	9.2
201.16289	13.8
203.17996	5.1
209.11638	6.2
209.13402	5.1
211.14774	8.4
213.16336	7.0
215.17961	8.2
219.17509	6.6
223.14854	6.6
227.17815	4.5
237.11206	8.4
237.16301	3.9
251.17763	3.0
255.21133	6.4
267.21362	2.8
281.18512	2.4
293.22656	6.5
302.02567	2.4
311.16431	6.1
311.23325	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01868	10.1
55.05524	30.4
56.79473	5.8
60.53082	5.6
60.57367	5.9
64.84043	5.8
67.05509	65.6
69.07068	45.2
71.04978	8.6
71.11489	16.9
79.05478	33.2
81.07054	75.5
83.04964	6.4
83.08607	17.7
85.06550	7.5
91.05482	39.2
93.07047	48.6
95.08606	64.3
97.06539	13.4
97.10167	14.2
99.08089	9.5
105.07041	44.3
107.04990	10.9
107.08609	36.3
109.10153	37.9
111.08107	6.2
117.07011	11.4
119.08595	40.3
121.10123	18.2
123.11689	8.4
123.96359	6.6
125.09665	6.3
131.08606	21.6
133.10153	39.5
133.82649	6.9
135.11697	11.6
137.13254	7.2
143.08649	10.0
145.10168	12.8
147.11707	15.3
149.09648	17.1
151.11172	6.7
159.11743	19.4
163.11215	11.1
173.11844	7.8
173.13222	13.5
195.87033	6.4
239.17932	11.0
241.51625	6.2
257.19025	12.5
275.20068	100.0
278.23157	7.1
287.71829	6.7
293.21011	15.1
311.29236	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	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03959	3.8
55.01874	34.1
55.05515	40.8
57.03423	5.8
57.07076	3.8
58.10649	2.1
61.96650	2.5
65.03920	2.7
67.05506	41.9
69.03428	5.5
69.07067	23.7
70.12701	9.8
70.65805	2.7
71.04999	14.2
79.05499	57.5
79.35255	2.5
81.03420	5.7
81.06576	3.5
81.07059	71.8
83.04986	32.4
83.08623	30.1
85.06557	3.6
87.50955	2.5
91.05487	31.0
93.07040	35.1
95.04968	14.0
95.08611	30.9
97.06539	38.1
97.10173	36.4
98.20796	2.7
98.21329	5.4
103.53948	3.0
105.07024	32.0
107.04960	6.8
107.07867	5.9
107.08598	100.0
109.06504	10.0
109.10175	13.5
111.04422	6.0
111.08075	8.6
111.08809	2.6
113.05987	13.3
117.07034	9.2
119.08588	15.1
121.10114	12.1
123.08150	3.2
123.11665	3.6
125.06002	7.8
125.09633	70.4
131.08569	17.4
133.09238	2.6
133.10109	12.4
135.08038	6.2
135.11691	11.0
137.09671	2.7
139.11159	8.2
140.88165	2.2
141.06990	3.9
143.08556	2.7
143.10616	4.0
145.10115	10.4
147.08083	2.3
147.11696	10.5
149.09601	9.2
149.13217	2.6
153.08995	2.6
153.12762	13.8
157.10178	3.3
159.11667	11.8
161.13239	5.0
163.11172	13.8
167.10681	7.3
169.10085	4.2
171.10191	3.3
171.11740	2.7
173.13208	3.1
177.12616	6.4
181.12262	7.7
183.11537	2.8
185.65588	2.5
187.11212	4.6
189.11188	29.5
189.12726	3.3
193.12247	6.5
195.13765	3.6
205.12245	7.6
207.13802	3.4
211.13348	5.2
213.14880	4.3
223.13237	15.2
236.12833	2.8
239.17995	2.8
241.14453	5.8
257.18982	6.3
275.20065	72.0
293.21078	47.1
311.13004	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	311.2217
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
55.01868	7.8
55.05503	8.5
57.06815	3.1
57.07074	35.2
58.25335	2.2
67.05511	18.1
67.75735	2.3
69.03429	2.6
69.07056	8.7
69.59971	16.0
71.04974	4.8
71.08631	3.1
73.02897	2.5
79.05499	16.9
81.03427	2.4
81.07061	28.8
83.04983	15.2
83.08611	9.1
91.05479	14.3
92.97406	2.2
93.07049	11.7
95.04951	6.3
95.08620	13.2
97.06516	10.0
97.10170	4.4
98.21140	8.5
105.07030	13.7
107.04952	6.4
107.08600	20.2
109.02877	5.4
109.06591	3.2
109.10131	11.1
111.04441	25.6
111.08061	3.9
113.06030	2.4
117.07006	4.6
119.08585	12.4
121.06496	3.1
121.10126	8.0
123.11695	3.3
125.05971	8.3
125.09624	9.4
131.08568	3.7
133.10107	10.0
135.04390	4.8
135.07980	3.0
135.11644	6.8
137.09584	4.2
145.10118	5.2
147.11642	3.5
149.09637	5.3
151.11195	4.3
153.05473	20.4
155.08473	2.9
157.10121	5.2
161.09604	4.2
163.11186	8.7
177.12726	2.9
181.04941	4.6
181.12242	6.4
189.11214	2.8
191.10739	10.8
191.12166	2.2
193.04947	5.9
196.62440	2.8
209.11723	100.0
218.44493	2.3
223.13283	2.3
237.11215	93.3
255.12328	21.6
257.19009	3.8
275.20059	22.1
293.17764	5.0
293.21011	8.8
311.20035	5.9
311.24622	8.3
311.29114	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03932	3.1
55.01866	9.4
55.05511	24.9
56.16090	2.5
57.03432	4.6
57.07075	32.9
67.05163	3.9
67.05505	40.6
68.99790	3.1
69.03429	3.6
69.07072	25.3
70.06689	13.2
71.04991	7.9
72.40874	3.0
74.68927	3.2
79.05493	22.5
81.03400	3.5
81.07056	39.5
83.05000	14.1
83.08614	13.5
83.65720	2.7
85.06542	4.7
88.38855	3.3
91.05472	22.9
93.07056	25.9
95.04958	11.4
95.08591	31.4
95.90945	2.5
96.91648	3.1
97.06510	9.4
97.10180	5.0
98.21082	7.8
105.07027	19.0
107.04950	7.8
107.08601	23.7
109.02905	5.3
109.06499	8.9
109.10158	15.4
111.04464	19.0
111.08052	7.3
117.07009	4.8
119.08582	17.6
119.74188	2.7
121.06549	3.5
121.10149	15.1
123.08080	4.4
123.11665	3.3
125.05968	8.9
125.09617	8.0
129.07001	3.4
131.08549	9.6
133.10144	16.1
135.04446	6.2
135.11713	9.8
137.09610	6.6
145.10115	6.1
147.11665	8.6
149.02284	4.3
149.09575	9.7
149.13229	4.0
151.11172	5.8
152.40210	3.1
153.05464	21.0
159.11710	5.0
160.20782	2.8
161.13303	4.2
163.11172	11.5
171.11789	5.5
181.04976	4.3
181.12199	11.3
189.11111	4.6
191.10651	14.2
193.04938	8.1
209.11746	100.0
210.12033	3.3
223.13203	4.8
223.15213	3.1
237.11217	86.9
247.20470	3.5
255.12277	19.5
257.18979	3.8
275.20126	39.5
293.17838	3.4
293.21100	13.2
311.24551	19.9
311.74710	5.9
324.20236	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01869	14.6
55.05512	32.8
55.19740	3.9
57.03440	6.5
57.07076	12.0
67.05506	51.3
69.03441	4.0
69.07078	49.6
71.04989	5.0
71.09956	6.5
79.05489	36.9
81.07058	53.9
83.04962	8.7
83.08613	15.2
85.02910	4.7
85.06552	10.5
91.04974	4.5
91.05466	23.9
93.07047	39.8
95.04974	8.7
95.08609	56.8
97.06530	23.6
98.20933	6.4
105.07034	13.6
107.05014	5.6
107.08601	30.8
109.06509	5.5
109.10171	16.9
111.04465	6.4
111.08072	13.7
111.11701	5.3
111.73682	3.7
117.07011	7.1
119.08612	20.7
120.30794	4.3
121.06513	7.4
121.10146	17.7
123.08090	5.9
125.09663	6.3
131.08586	11.9
133.10149	18.2
135.08076	7.7
135.11682	25.4
137.09593	12.1
142.07813	5.8
145.10124	10.7
147.11699	8.8
149.09619	6.5
153.12750	7.2
157.10138	5.4
159.11700	8.4
161.09671	6.2
161.13269	4.8
163.11200	4.8
181.12276	7.0
183.11641	5.5
197.15381	16.7
209.11620	5.5
217.14297	8.3
237.14787	4.7
247.20567	10.4
257.19092	8.7
265.21674	13.5
275.20105	47.7
275.22791	6.6
289.41992	4.3
293.21140	100.0
311.22659	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01875	40.0
55.05513	44.6
57.03437	5.8
67.05508	37.1
67.64259	3.2
69.03431	10.3
69.07076	24.7
70.83333	5.7
70.83678	7.4
71.05006	15.9
79.05494	56.9
80.50517	2.9
80.66855	2.9
81.03383	8.3
81.07060	67.9
83.04989	30.1
83.08620	29.5
84.20255	3.1
85.06532	5.8
88.92708	3.2
91.05489	32.4
93.07054	33.3
95.04971	13.7
95.08601	32.7
97.06529	49.0
97.10175	31.5
99.08087	3.3
105.07033	28.1
107.04953	8.7
107.08599	100.0
109.06530	8.2
109.10170	16.4
111.04432	9.2
111.08060	9.4
113.06033	13.8
117.07021	8.3
119.08570	17.2
121.06500	3.4
121.10172	16.9
123.08064	6.9
125.06002	8.9
125.09642	73.8
131.08566	13.2
133.10114	10.1
135.08061	13.1
135.11662	12.0
139.07526	3.1
139.11208	6.3
141.06990	4.5
145.10144	14.2
147.11696	15.6
149.09608	14.3
153.12756	14.9
157.10144	5.2
159.11688	11.2
161.13245	4.3
163.11223	19.2
167.10699	8.2
169.10127	3.6
173.13234	4.7
177.12787	12.3
181.12244	10.5
184.07576	7.0
187.11076	4.0
189.11255	34.4
193.12421	3.7
195.13902	3.7
205.12202	9.3
213.14877	7.4
223.13316	14.7
239.17940	6.5
241.14444	4.9
251.16328	4.6
256.74570	4.1
257.19101	11.7
261.94733	3.4
275.20068	64.1
292.76309	3.2
293.21133	56.8
311.12659	8.2
312.08679	4.9
318.43747	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	311.1278
Annotation	Porphyrin
Peak:m/z	Relative Intensity
55.01873	1.5
55.05511	1.0
56.05014	1.4
65.03945	1.4
67.05480	0.9
69.24141	1.0
69.24536	8.2
69.95019	0.7
70.06594	11.3
71.06901	1.2
72.04530	0.8
72.08143	3.1
74.43790	0.8
79.05492	3.3
81.03409	1.3
81.07075	2.0
84.04504	1.6
84.08150	2.2
85.08447	0.9
85.20584	0.9
86.09709	4.8
87.01194	0.8
87.02695	1.1
88.03981	1.0
89.03904	5.3
90.05527	1.2
91.05486	6.3
93.07056	1.4
94.04194	5.4
95.04988	1.8
98.20930	3.4
103.05473	3.3
105.03397	1.8
105.07033	9.1
107.04938	2.5
108.08136	4.4
109.06523	6.0
110.07171	1.0
111.04446	0.8
112.08686	1.1
115.05443	2.8
115.08694	1.2
117.03389	11.8
117.05714	0.8
117.07008	1.1
119.04932	2.5
120.08118	1.7
121.06495	1.6
122.03642	9.8
122.41028	0.8
123.04414	0.8
124.07692	0.9
128.04002	0.9
128.06212	1.7
129.07025	5.2
129.10284	0.8
130.06517	1.4
131.04907	3.3
131.08580	1.4
133.02853	5.7
133.06502	5.7
134.03676	1.4
135.04384	2.0
136.07578	3.2
137.05984	100.0
138.06322	1.4
144.05687	3.9
145.02849	18.4
145.06465	1.5
147.04387	2.4
149.06003	7.4
150.12738	1.1
151.07567	1.4
155.04927	7.8
155.06061	1.3
159.08070	7.0
161.05983	17.5
164.14340	1.7
165.05515	1.9
165.06970	2.8
169.06403	0.9
171.04390	1.0
172.05170	2.6
173.05869	2.0
175.03593	1.5
175.07550	2.3
177.05493	26.4
177.06992	1.3
179.08575	2.0
180.09380	2.3
181.06578	0.9
187.07576	21.3
188.08209	0.9
189.07024	5.0
190.07774	20.0
191.08569	42.3
192.09161	1.1
201.07053	1.2
202.07690	1.8
205.06497	2.1
207.08078	5.0
208.08868	4.5
208.13144	1.4
218.07300	12.0
219.08064	60.3
220.08803	5.8
221.05984	2.7
223.07628	1.0
225.09174	0.9
229.07645	1.1
233.09576	1.3
235.07510	7.9
236.04710	1.2
236.08304	13.2
237.09088	1.6
246.06821	1.8
247.07539	23.0
248.08238	3.1
249.05359	1.1
249.09224	1.0
250.09836	1.0
251.10686	70.9
252.11061	1.0
253.08553	5.0
261.09122	2.7
263.07031	1.9
264.07806	8.1
265.08505	3.2
267.10294	1.3
267.17059	5.7
268.11069	1.5
279.10175	61.3
280.10956	4.5
281.08142	8.7
283.09680	1.6
283.13132	1.7
293.11783	1.1
295.09622	1.3
296.10422	11.0
311.09296	4.1
311.12747	62.4
311.19711	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	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35549	0.8
65.03935	0.9
66.04700	1.0
70.06610	2.0
70.76186	1.7
70.76554	1.8
72.08178	0.9
79.05484	2.8
81.07067	4.3
84.08150	1.2
86.09733	1.0
91.05487	4.9
94.04198	4.6
95.04988	1.3
103.05452	1.0
105.07037	6.8
107.04954	2.4
108.08060	1.1
109.06528	5.0
115.05479	1.8
115.80264	0.8
117.07040	0.9
119.08553	1.1
121.06499	1.7
122.03651	9.6
123.04478	0.9
128.06241	1.5
129.06972	6.0
130.06516	2.2
131.04922	2.9
131.08588	1.2
133.06514	4.9
135.08055	1.1
137.05975	100.0
144.05679	4.4
145.06538	1.3
149.05968	5.4
151.07516	1.7
155.04903	7.9
155.05954	1.4
159.08041	9.9
161.05986	13.0
165.07008	4.1
167.07117	1.6
167.08551	1.1
172.05171	2.4
175.07549	2.9
176.02136	1.0
179.08531	2.6
181.06519	1.1
187.07553	30.0
189.05528	1.4
189.07008	7.7
189.08871	1.5
190.07773	26.1
191.08560	48.7
192.08965	0.9
193.06529	1.1
195.08067	1.1
201.06949	0.9
202.07748	2.5
203.08554	1.2
205.06441	4.7
207.08067	6.8
208.08813	6.8
213.29066	1.1
217.06470	1.9
218.07294	12.7
219.08057	67.9
220.08765	7.0
221.05942	4.0
222.06726	1.1
224.08435	0.9
225.09148	1.3
229.07742	2.3
231.08069	1.4
233.05974	1.1
233.09651	2.4
234.06755	1.1
235.07492	9.3
236.08311	16.4
237.09050	3.2
246.06694	1.7
247.07549	29.1
248.08131	4.4
249.05424	1.2
249.09219	1.5
250.09868	1.1
251.10675	93.6
252.11006	2.1
253.08566	7.6
261.09149	4.1
262.09760	1.1
263.06985	3.1
264.07761	12.1
265.05893	0.9
265.08603	4.0
266.05801	1.2
267.10220	2.3
268.07449	1.1
268.10928	2.8
278.09219	1.1
279.10156	73.2
280.10846	5.8
281.08096	11.8
283.09814	1.3
283.13129	1.8
295.09741	1.5
296.10449	14.3
301.14786	0.9
311.05963	5.1
311.09525	3.6
311.12756	90.7
312.13080	1.1
325.07303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Porphyrin
Peak:m/z	Relative Intensity
61.58334	1.2
63.30888	1.2
63.68802	1.2
69.97326	6.3
79.05496	2.4
81.07063	1.9
91.05478	7.1
94.04196	4.9
98.20966	3.0
104.64326	1.3
105.06411	1.6
105.07025	7.2
106.32991	1.1
109.06512	3.5
109.17230	1.2
115.05463	2.6
120.14964	1.4
121.06469	1.9
122.03645	10.0
128.06248	2.2
129.06989	5.5
130.89310	1.3
131.04929	2.4
131.08621	1.7
133.06491	5.3
137.05983	100.0
141.86487	1.2
144.05684	4.4
145.06407	1.3
146.07204	1.5
149.05971	5.9
151.07527	1.4
155.04933	9.7
159.08035	6.7
161.05972	13.3
161.87793	1.3
165.06969	3.8
172.05228	2.9
175.07570	3.3
178.07838	1.4
179.08543	2.2
187.07555	27.3
189.06952	6.4
190.07774	28.0
191.08556	57.5
201.07031	2.2
202.07722	1.9
203.08652	2.0
205.06537	2.5
207.07928	6.6
208.08875	6.5
218.07280	16.2
219.08060	74.2
220.08827	6.1
221.05959	4.1
223.11314	1.3
225.09171	1.8
233.09703	2.9
235.07558	9.3
236.08350	15.0
237.09117	4.2
246.06828	3.3
247.07585	27.9
248.08250	4.2
251.10674	93.2
252.10944	2.1
253.08636	8.2
261.09143	3.2
263.07056	2.1
264.07800	9.4
265.08615	4.8
267.10086	1.6
268.10941	2.0
279.10168	77.4
280.07980	1.1
280.10815	7.8
281.08127	12.9
296.10486	10.9
311.12775	83.6
312.13144	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58554	0.6
53.91496	0.6
63.02372	0.6
67.05515	0.6
70.06596	1.1
71.57207	1.1
73.96156	0.7
77.01344	0.7
78.04700	1.3
81.07051	0.8
84.08126	0.9
89.03399	1.1
89.03920	17.1
91.05458	2.2
92.45524	0.7
93.03399	1.5
95.08629	0.8
103.05468	0.7
105.03421	1.0
106.04169	1.3
108.08144	1.3
111.04446	2.3
117.03383	38.9
120.08085	0.7
123.04400	0.7
124.05196	0.9
125.05981	2.4
131.08586	0.8
133.02820	3.7
134.03625	2.8
135.04404	3.0
135.07985	0.8
136.07570	1.3
137.05981	2.3
139.34952	0.6
145.02846	74.7
146.03198	1.9
147.04057	1.0
149.05986	13.0
149.32919	0.6
151.03851	0.8
153.05469	4.7
165.08873	0.7
167.12642	0.7
177.05472	100.0
178.05772	1.8
179.03378	2.5
187.45920	0.7
191.08542	0.9
195.06244	0.7
209.68279	0.6
219.07945	0.8
251.10818	2.0
267.17789	3.8
269.06525	1.2
311.05487	3.7
311.09052	1.8
311.13141	1.3
311.20551	4.9
311.23666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.5
51.56476	0.4
53.03930	0.6
55.01874	0.7
55.05512	1.2
56.64615	0.5
63.02367	0.8
64.87905	0.4
65.03947	0.7
67.05497	1.4
70.06595	2.1
71.57973	0.8
72.08154	1.4
77.03943	0.6
78.04712	0.7
79.05488	2.0
81.07047	1.4
82.36417	0.5
83.05000	0.8
84.04493	1.5
84.08142	2.7
85.02893	0.6
86.09707	1.9
89.03917	14.2
91.05478	2.9
93.03376	1.0
93.07046	1.2
95.04978	1.4
95.08622	0.9
96.08128	1.4
98.09711	0.5
103.05490	0.6
105.03387	1.5
105.07024	1.5
106.04182	0.6
107.04955	1.7
107.08614	0.8
108.08173	0.6
109.06517	1.1
110.07162	1.0
111.04447	2.2
115.05452	0.6
116.02624	0.5
117.03383	33.8
117.07048	1.2
120.08093	1.6
121.02898	1.0
121.06453	1.2
121.10207	0.6
122.03642	0.6
123.04384	0.8
124.05219	0.5
124.07613	7.0
125.06014	2.1
129.10237	1.1
130.05016	0.6
130.06557	0.8
131.08580	1.7
133.02846	3.1
134.03625	3.3
135.04419	2.6
135.08037	3.2
136.07587	1.0
137.05989	7.5
137.09641	1.0
145.02850	70.0
146.03215	1.4
147.04053	1.8
149.05998	10.8
149.09645	0.8
150.06741	1.1
151.03967	0.9
153.05479	3.0
161.06001	1.3
163.03923	1.9
165.07040	0.8
165.09117	1.2
175.07489	0.7
177.05476	100.0
178.05797	2.6
179.03374	2.2
186.05508	2.4
187.07550	2.3
188.09196	1.1
190.07727	1.3
191.08557	3.5
194.05891	0.7
195.07988	0.5
205.06477	1.0
207.08018	1.0
218.07297	1.1
219.08076	3.5
236.08351	0.7
237.05589	0.6
237.09201	0.9
247.07565	2.2
248.08142	0.6
250.06113	0.5
251.06921	0.9
251.08307	0.6
251.10657	5.3
263.07159	0.8
264.07730	0.7
269.06644	0.8
279.06537	1.5
279.10168	4.8
281.08026	1.0
283.09641	1.5
293.08090	0.9
296.10455	1.1
311.05472	5.2
311.09134	2.7
311.12411	6.0
311.15112	0.8
311.20078	0.9
311.23499	1.0
320.01361	0.5
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
53.03918	0.5
55.05508	1.6
56.05022	0.6
57.03406	1.0
59.04979	0.4
67.05502	1.7
68.05022	0.5
69.07068	7.7
70.06577	1.0
71.58335	0.4
72.08140	0.4
73.06561	1.6
79.05508	1.9
80.04993	0.5
81.07058	3.5
82.06567	0.8
83.08597	0.7
84.04481	0.4
84.08125	0.9
86.09705	2.5
91.05460	1.1
93.07043	3.8
94.06550	0.5
95.04950	0.7
95.08601	2.9
96.08105	0.9
97.06518	0.9
98.09678	1.9
105.07006	1.0
107.08590	2.1
108.08119	13.0
109.06487	0.5
109.08878	0.9
109.10126	1.2
110.09097	0.3
110.09693	3.1
110.74645	0.3
115.07568	1.5
117.07039	0.4
119.08564	1.0
120.08099	0.6
120.08926	0.4
121.08920	0.4
121.10135	0.5
122.09666	7.9
122.10422	0.4
123.10432	1.6
123.11725	0.6
124.11242	0.6
126.12854	0.3
133.10072	0.7
134.02710	0.4
135.08092	0.4
135.11690	2.6
136.11223	2.9
137.05913	0.4
137.13257	1.2
137.62646	0.3
138.12755	0.6
144.08961	0.4
145.10138	0.4
149.13301	0.4
150.12778	19.0
151.13580	6.2
152.14330	5.9
153.12727	0.7
153.15082	0.5
162.12827	0.4
164.14314	1.1
166.12288	0.6
166.14830	0.3
166.15939	3.0
167.00851	0.3
178.15921	0.6
179.14351	0.9
180.10216	0.4
186.13615	0.9
192.17500	1.2
194.11775	1.2
196.16841	0.4
199.03917	1.0
208.13246	0.4
210.14932	0.9
212.16425	2.7
214.13127	0.9
216.10120	0.5
219.07861	0.4
220.20555	2.5
222.14891	0.7
231.13864	0.6
232.14162	3.4
236.16461	2.9
237.12837	0.3
238.21555	1.6
264.19644	1.2
266.21149	100.0
267.21500	1.2
268.22733	4.7
269.10730	0.6
282.24289	0.5
287.11682	0.3
292.19745	0.5
292.22726	0.5
310.23758	68.8
311.12540	0.4
311.24127	0.8
312.42197	0.3
314.97095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
55.05492	2.0
56.05017	1.2
57.03415	0.9
59.05013	0.5
67.05482	1.6
68.05007	1.0
69.03378	0.6
69.07073	7.9
69.68999	3.2
70.06573	1.8
72.04480	0.5
72.08154	1.1
73.06543	1.6
76.02225	1.1
78.01787	1.8
79.05506	2.7
80.04993	1.3
81.07048	3.4
82.06563	1.3
83.08611	0.6
84.04483	2.0
84.08124	1.9
85.02905	0.7
86.06059	0.5
86.09724	3.0
88.03947	0.9
91.05508	1.1
93.07053	4.4
94.06548	0.8
95.04967	0.7
95.08591	3.2
96.08117	0.9
97.06496	1.9
98.09688	2.2
100.11256	0.6
105.07009	1.3
107.08582	1.9
108.08124	15.2
108.08846	0.7
109.08910	1.0
109.10149	0.6
110.06020	0.6
110.07198	0.5
110.09708	2.5
115.07569	1.4
116.07077	0.6
117.03374	0.8
119.08581	1.3
120.08170	1.0
121.10129	1.2
122.01669	0.5
122.02673	0.6
122.09661	8.7
123.10435	1.6
123.11711	1.1
129.10272	1.1
130.05025	1.1
131.08533	0.8
133.10094	0.6
135.11682	1.9
136.06183	0.8
136.07500	0.8
136.11195	3.8
137.05997	1.0
137.13268	1.1
144.01018	0.5
145.02835	1.7
146.03542	1.0
147.04404	0.5
148.07558	0.6
150.12790	19.1
151.13589	5.7
152.14346	6.5
153.12729	0.9
157.10094	0.6
161.09549	0.6
161.13222	0.5
164.14336	1.8
166.12312	0.7
166.15967	3.2
177.05490	1.9
178.15855	0.6
179.14268	0.7
180.10205	0.9
181.04359	0.7
192.17491	2.0
194.11736	2.3
208.13493	0.6
210.14906	1.4
212.12888	1.4
212.16473	3.4
220.20526	2.6
222.14861	1.2
232.14037	2.6
235.07501	0.7
236.16460	2.1
238.21608	1.1
264.19495	0.9
266.21155	100.0
267.21432	1.6
268.22598	2.6
282.24359	0.5
292.19128	1.2
307.98090	0.5
310.08032	1.5
310.23755	86.6
311.05484	1.7
311.08890	0.7
311.24197	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66335	0.6
55.05507	1.2
56.05023	0.8
64.52323	0.6
67.05493	1.9
69.07064	1.2
70.06579	2.9
71.19337	1.0
72.08170	1.0
76.02222	1.2
78.01798	0.8
79.05492	1.7
81.07040	2.3
84.04490	1.8
84.08126	2.7
85.18925	0.6
86.09693	1.9
91.05492	2.1
93.07053	0.9
94.06541	0.9
95.04947	0.8
105.07040	2.0
107.08604	1.3
109.10158	1.0
120.04427	0.7
120.08114	1.1
123.08053	0.8
129.10278	1.5
131.08562	0.6
135.08044	0.8
136.06203	1.1
137.06015	0.8
144.08919	0.7
145.02960	0.8
153.06712	0.7
158.10616	0.7
162.24261	0.7
163.03967	1.7
164.04213	1.5
164.07172	0.6
166.24165	0.6
172.87334	0.6
180.01213	0.6
186.13718	1.3
188.07062	17.5
190.08498	0.6
202.08611	7.5
203.09367	1.6
204.10136	1.0
214.13095	0.7
216.10197	4.7
216.12183	1.2
232.14111	2.8
246.14900	100.0
247.15263	1.2
279.10400	0.7
292.10107	1.5
310.07925	0.8
310.11234	2.8
310.16916	1.2
310.20123	1.3
311.05441	1.2
311.12766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1472
Annotation	SB 218655
Peak:m/z	Relative Intensity
55.01863	1.9
55.05519	7.9
58.99578	4.7
67.05498	1.7
69.03401	1.3
69.07081	3.3
69.91613	6.4
70.02934	4.9
70.06593	7.8
70.53904	1.3
72.08141	5.4
74.00678	1.2
76.02216	1.9
78.01812	2.8
79.05488	2.4
81.07053	3.5
83.04983	10.0
84.04483	4.0
84.08149	9.3
86.09698	6.7
88.03994	32.1
89.03921	1.6
91.05468	2.5
93.07045	3.4
95.04953	2.4
95.08601	1.8
98.20889	2.2
102.04696	1.5
103.05419	2.2
105.06373	2.1
105.07029	21.6
107.08600	10.6
108.08119	2.6
109.06529	1.5
110.07183	2.7
111.02651	4.5
117.03397	5.4
117.07001	1.6
119.08591	13.0
120.08084	5.3
121.10129	4.1
122.02708	1.3
122.09696	2.7
123.08031	1.4
125.04224	5.0
126.03725	1.4
127.41915	1.2
129.10248	1.6
130.06546	2.4
131.08571	4.0
133.06479	3.8
133.10138	6.6
135.04425	2.4
137.04213	30.6
139.04782	1.8
139.05782	19.7
140.05272	3.1
143.08441	1.6
144.09306	2.0
145.02849	10.7
145.10121	5.6
146.03641	4.5
147.04355	3.2
147.08069	2.3
147.11693	17.5
149.04169	1.8
150.06694	2.7
150.09134	2.0
151.05707	1.4
159.08080	1.6
159.11716	8.6
160.11237	1.4
160.12524	1.5
161.09604	2.4
161.13249	11.8
163.05818	2.4
165.03670	1.7
165.07246	3.2
166.06863	3.8
166.08626	1.3
167.05295	2.8
171.11684	1.3
171.33928	1.4
172.04312	1.9
172.67656	1.3
174.10364	1.9
176.04701	1.6
177.05457	10.7
179.08943	5.6
180.08481	1.4
181.10460	10.3
181.24356	1.3
186.93121	1.5
187.11180	6.9
188.11847	1.5
189.12753	21.6
191.14328	4.7
193.10463	4.5
194.05786	2.6
196.13240	2.1
205.10405	1.7
205.14600	4.1
208.07919	3.6
209.06291	1.7
212.07448	11.8
221.09956	12.6
223.11520	31.5
226.08968	7.9
232.14119	3.3
252.10574	4.6
264.14105	2.8
293.12045	3.9
310.14709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03932	2.3
55.01866	4.7
55.05513	26.5
57.03436	24.3
57.07077	6.8
62.49624	1.0
65.03934	2.3
67.05505	85.1
69.03434	1.2
69.07071	40.8
69.39523	1.1
69.39856	9.9
71.04987	3.3
71.08622	2.4
79.05492	25.0
81.03402	1.5
81.07058	85.6
83.04963	3.4
83.08619	19.3
85.01117	1.8
85.06551	4.3
85.10172	1.8
91.05485	19.7
93.07046	22.5
95.04961	3.1
95.08608	78.8
97.06529	5.0
97.10164	9.4
98.20977	4.3
99.08098	3.1
103.03960	1.2
105.07033	17.0
107.08588	14.0
109.06508	2.6
109.10162	31.1
109.10912	1.8
111.02663	1.5
111.08059	2.7
111.11709	2.8
113.04244	2.1
119.08576	12.1
121.06474	1.1
121.10149	10.3
123.04460	1.7
123.08046	2.7
123.11707	15.4
125.09642	1.9
129.05469	5.4
129.06967	2.5
131.08585	3.6
133.10139	14.5
135.11678	11.4
137.06015	2.2
137.09651	2.0
137.13261	6.5
142.07806	1.7
143.08563	5.1
145.10133	3.3
147.08064	1.9
147.11691	10.4
149.13231	3.6
151.11209	2.5
151.14812	2.8
153.12801	1.6
155.08560	1.6
157.10155	4.9
159.11748	2.4
161.06017	1.5
161.09636	1.6
161.13266	5.9
165.12791	1.4
169.08481	1.8
170.10951	2.2
173.32448	1.1
175.14799	3.9
185.13237	8.4
186.11993	1.2
188.88356	1.1
189.16351	1.2
193.12254	3.8
195.11787	1.3
201.14868	1.3
201.60863	1.2
203.14372	1.6
213.12781	7.0
217.19533	14.4
219.21182	1.2
231.13811	23.8
235.20540	8.1
249.14861	1.6
309.09079	1.2
309.18631	5.9
309.24252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	5.8
55.01871	6.4
55.05511	32.0
56.87381	4.6
57.03439	27.4
57.07072	7.9
59.96485	4.1
67.05163	6.5
67.05503	85.2
69.07071	34.8
69.49870	29.0
71.04960	6.4
71.08636	52.6
73.33346	4.0
77.94958	3.9
79.05492	60.7
81.03408	6.7
81.07057	100.0
83.04969	10.8
83.08627	22.7
85.06544	10.0
86.87556	4.9
91.05472	39.5
93.07044	90.2
95.04967	14.0
95.08606	76.0
97.06524	11.4
97.10175	11.1
98.20818	10.5
99.08080	44.6
105.07015	37.3
105.81903	3.7
107.04943	5.3
107.08598	47.4
109.06506	12.5
109.10160	35.9
117.07031	7.7
119.08566	34.1
121.10139	51.3
123.11691	9.9
128.20552	5.2
131.08560	21.5
133.10162	24.0
135.11697	48.0
137.09592	7.5
143.08577	9.9
145.10130	13.2
147.11703	17.0
149.13240	14.8
151.11176	13.9
154.53729	4.5
157.10123	8.7
159.11696	16.2
161.13260	16.5
163.11177	14.4
163.14825	7.5
165.12781	4.2
173.13214	7.3
175.14832	5.6
177.12756	5.0
179.14301	81.6
185.13261	17.6
186.17805	3.9
187.14862	14.3
196.19867	3.9
199.14827	4.8
203.17902	4.2
207.17401	6.7
213.12743	7.5
231.13808	24.3
241.19466	7.5
259.20596	17.2
277.21667	71.5
291.23126	9.6
309.24258	18.8
309.27744	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
51.22880	2.0
53.03922	6.9
55.01857	4.0
55.05509	17.7
57.03413	6.3
57.07054	5.6
65.03909	3.1
67.05504	29.0
69.03413	2.5
69.06714	2.0
69.07069	22.1
71.04996	2.8
71.57375	2.2
73.78105	1.7
77.03901	2.6
79.05494	35.4
81.03377	4.4
81.07057	48.1
83.04966	4.5
83.08623	8.1
91.05479	44.5
93.07045	70.7
95.04969	54.3
95.08051	3.1
95.08605	46.6
97.06525	17.4
97.10135	1.5
103.05428	5.1
105.07032	83.8
107.04948	3.0
107.07961	2.6
107.08602	37.0
109.06535	11.7
109.10162	23.2
115.05422	5.2
116.06255	1.9
117.06342	1.6
117.07030	19.6
119.08580	68.1
121.06522	9.3
121.10144	100.0
123.08074	13.9
123.11721	9.7
125.25623	1.7
128.06226	10.5
129.07008	14.5
130.07756	7.5
131.08569	38.4
133.06467	4.5
133.07549	2.0
133.10132	47.2
135.08006	5.2
135.11693	11.8
141.06961	5.8
142.07777	19.1
143.08571	29.9
144.09294	6.6
145.06474	3.2
145.09050	2.7
145.10124	48.1
147.08032	3.7
147.11699	12.6
149.09613	4.9
149.13235	4.2
153.06950	2.7
154.07759	3.1
155.08562	12.2
156.09317	12.0
157.10127	34.7
158.10812	5.5
159.08037	3.4
159.10445	2.7
159.11693	36.2
161.09616	8.7
161.13220	7.9
162.96123	1.8
163.11136	2.5
165.06950	2.5
167.08514	6.4
168.09341	4.1
169.10117	22.8
170.10919	8.9
171.11667	23.0
173.09573	4.2
173.13272	16.3
175.11191	2.1
175.14812	6.3
179.08549	3.9
180.09325	2.5
181.10065	7.3
182.10866	4.5
183.11671	16.2
184.12456	4.0
185.09564	3.6
185.13220	18.1
187.11203	11.8
187.14790	18.8
189.12753	2.3
193.10144	5.6
194.10899	4.8
195.11678	11.2
196.12419	4.7
197.09436	2.6
197.13222	11.9
198.10255	2.1
198.13898	1.8
199.14818	10.8
200.15387	3.7
201.12701	6.0
201.16301	2.5
205.10159	2.8
206.10883	4.1
207.11665	6.8
209.13216	11.6
210.13913	2.0
211.14828	10.9
213.12732	5.9
213.16289	3.9
215.14340	3.2
220.12514	4.2
221.13271	6.9
223.14790	4.3
225.12726	3.3
225.16354	6.5
227.14189	2.2
231.13821	11.1
233.13240	2.6
234.13945	3.5
235.14799	8.6
237.16327	2.5
239.14172	3.7
239.17871	5.6
241.15793	2.5
241.19537	2.2
249.16460	4.0
251.17854	2.8
253.15833	7.4
253.19481	3.5
265.19473	4.7
281.22699	11.2
291.21051	10.8
309.22064	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.06310	1.2
50.39096	1.0
53.03940	2.7
55.01861	4.9
55.05265	2.0
55.05515	30.5
57.03432	2.1
59.04989	1.7
62.72728	1.3
67.05508	18.2
69.03423	3.1
69.07073	12.7
69.87418	6.5
72.22902	1.0
77.04519	1.1
79.05070	1.2
79.05497	18.1
81.03437	2.6
81.07062	18.5
83.04972	4.8
83.08621	14.7
85.06538	1.9
91.05053	1.1
91.05487	12.5
93.07048	13.9
95.04980	6.5
95.08627	11.7
97.02871	1.5
97.06517	1.4
97.10173	19.6
105.07034	12.4
107.04968	4.9
107.08595	11.7
109.06498	2.8
109.10175	5.9
111.04424	3.2
111.08091	2.6
117.07002	4.6
119.04951	1.5
119.08589	9.8
121.06494	3.8
121.10147	4.5
123.04401	1.4
123.08064	8.0
125.09641	13.3
126.66462	1.2
128.06200	1.4
129.06992	4.2
130.06528	12.9
131.08575	6.6
133.06506	2.6
133.10114	5.0
135.08054	2.8
137.05978	2.9
137.09627	1.6
139.11169	2.3
141.07077	1.1
142.07823	2.5
143.08614	9.2
145.10078	5.5
147.08029	4.1
147.11674	4.0
149.09639	1.7
151.07555	2.1
153.94966	1.1
156.09334	1.2
157.10170	7.9
159.08167	1.6
159.11685	2.8
161.09583	2.6
162.10361	1.2
163.11182	2.7
165.09128	4.3
169.10126	1.8
170.10922	2.8
171.08119	1.2
171.11694	3.1
173.09683	1.2
175.07503	1.6
175.11176	2.1
181.12128	1.0
185.13261	12.2
189.11275	8.6
189.12738	1.9
193.12312	1.3
195.11761	1.7
203.14207	1.6
213.12801	8.2
221.11600	1.8
223.13261	3.8
231.13817	30.4
231.16164	2.1
249.14934	2.6
273.18478	13.8
291.19565	100.0
292.19858	2.7
309.17224	1.9
309.20670	4.9
309.24246	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03942	5.0
55.01877	20.7
55.05519	27.7
57.03442	5.4
65.03921	2.2
67.05508	74.2
68.05814	1.5
69.03427	5.1
69.07071	24.1
70.10531	6.5
70.10925	2.9
71.04996	10.9
79.05495	43.1
79.49284	1.6
81.03401	3.2
81.07061	94.7
83.01356	3.2
83.04977	12.5
83.08614	9.6
85.02896	3.2
85.06532	6.2
91.05487	55.5
93.07049	49.8
95.04984	10.9
95.08618	27.4
97.02905	1.7
97.06526	6.3
97.10170	3.9
98.20907	2.5
98.21434	2.4
99.04454	3.6
99.08094	2.8
101.06062	2.2
103.05514	2.4
105.07034	55.1
106.63314	1.4
107.04961	8.8
107.08599	50.1
109.06549	11.9
109.10165	88.9
111.04459	6.1
111.08088	6.2
113.06006	5.2
117.07029	7.3
119.08588	16.8
121.06547	11.6
121.10173	10.9
123.04443	2.7
123.08076	6.2
123.11700	11.9
125.06011	2.3
125.09632	4.5
127.07567	6.5
127.55350	1.4
128.06200	3.2
129.07016	6.1
131.08554	14.2
133.06549	7.9
133.10138	100.0
135.08076	6.3
135.11736	8.2
137.05995	2.3
137.09680	3.4
139.07562	7.9
142.07776	1.9
143.08575	5.3
145.06479	2.3
145.10124	10.8
147.08035	8.8
147.11714	5.1
149.09605	5.4
151.07513	2.2
151.11198	61.8
157.10152	6.4
159.08096	2.6
159.11693	3.4
161.09598	11.2
161.13394	2.6
163.11212	4.5
163.97229	1.5
165.09166	2.5
165.12828	2.2
167.10718	1.9
169.12213	16.3
171.11737	3.3
173.09663	2.8
173.13193	2.6
175.11165	5.9
175.14958	1.7
177.09175	3.5
179.10716	5.2
179.14418	1.9
181.08591	3.5
181.12251	2.1
185.13329	5.4
189.12796	3.9
199.11166	1.9
199.14996	1.8
203.14311	3.6
207.13815	1.8
213.12764	3.2
215.12756	4.4
217.12241	2.7
217.80893	1.9
231.13853	7.7
245.18990	13.2
255.17513	3.6
263.20099	10.8
273.18518	30.2
291.19559	56.5
292.19894	2.2
309.20572	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.02373	0.8
53.03939	2.6
55.01869	5.7
55.05517	12.5
57.03439	40.7
57.07064	1.7
59.05006	1.2
63.30462	0.6
65.03950	1.2
67.05505	21.2
69.03423	1.8
69.07068	9.0
70.06593	3.7
70.93525	1.7
71.05000	7.1
71.27477	0.8
71.81031	0.7
73.06570	0.9
79.05498	26.7
81.03425	4.5
81.07061	43.4
83.04979	3.7
83.08613	4.5
85.02917	2.3
85.06546	13.3
87.04475	3.2
91.05484	21.5
93.07047	23.7
93.86887	0.7
95.04971	11.6
95.08611	12.9
97.06542	5.6
97.10170	2.9
98.20990	0.8
99.08096	100.0
100.07713	0.8
100.08389	0.8
100.11236	0.9
101.04235	2.1
103.05608	1.2
105.07036	18.9
107.04961	12.9
107.08595	15.7
109.02926	1.1
109.06530	7.8
109.10164	8.7
111.04413	1.2
111.08087	2.9
113.06013	2.0
115.05456	1.1
115.63944	0.9
116.05343	1.3
117.07018	8.7
119.08591	11.3
121.06509	6.6
121.10142	10.0
123.04424	1.6
123.07323	0.8
123.08058	5.0
123.11752	1.4
125.06025	0.8
125.09638	2.8
127.07561	37.7
128.06201	1.7
129.07022	5.4
131.08566	12.8
133.06531	2.5
133.10132	14.3
135.08052	7.1
135.11693	5.1
137.09637	4.6
139.07608	1.0
139.11217	0.9
141.06987	1.4
142.07820	2.0
143.08540	5.3
145.06485	2.3
145.10135	10.7
147.04449	1.8
147.08060	6.1
147.11702	4.4
149.09642	6.5
149.13293	1.1
151.11220	2.6
153.09027	1.0
155.08556	1.1
157.10141	6.0
159.08057	2.0
159.11716	6.2
161.09619	5.3
161.13309	2.3
163.11198	3.0
165.09157	2.4
165.12801	1.2
169.10153	1.8
171.11678	4.0
171.35010	0.8
173.09653	2.1
173.13268	3.8
175.07568	0.8
175.11203	3.4
177.09190	1.3
179.10706	2.7
182.15433	2.2
183.11697	1.6
185.09715	1.0
185.13203	4.6
187.11183	2.2
189.11185	1.3
189.12732	1.8
189.16457	1.0
191.10747	1.0
191.14389	1.9
193.12294	1.1
195.11795	1.3
199.14818	3.5
201.12793	4.3
203.14354	3.0
205.12276	0.9
207.13860	2.2
213.12737	2.6
217.15886	6.2
219.13832	5.4
221.05684	1.0
221.15338	3.9
223.13228	0.9
227.17992	2.1
231.13824	8.4
235.16983	4.8
237.14648	1.4
237.16696	1.6
245.19063	2.7
249.14906	2.8
249.18590	1.2
255.17520	3.3
263.20105	3.5
273.18503	27.3
291.19537	48.2
309.08212	1.3
309.11142	2.0
309.17010	1.3
309.20587	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	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.09637	1.3
53.79211	1.3
55.01873	4.0
55.05507	7.8
57.03440	39.9
57.07083	2.0
65.03934	2.3
67.05166	2.8
67.05503	32.9
69.03432	2.3
69.07065	7.0
70.35633	1.7
70.51760	5.0
71.04995	3.7
71.97358	1.4
77.61479	1.4
79.05494	18.9
81.03406	1.9
81.07061	23.6
83.05000	1.9
83.08619	5.3
85.06544	35.4
91.05487	15.8
93.07050	16.2
95.04970	38.6
95.08614	13.6
97.06538	3.8
97.10165	2.1
98.20950	1.9
100.30251	1.5
105.07015	9.2
107.04937	2.9
107.08610	11.1
109.06519	40.2
109.10094	3.7
113.06010	100.0
117.07014	7.5
119.08625	8.7
121.06454	1.6
121.10154	5.2
123.08092	3.2
125.68216	1.4
126.86684	1.4
129.06982	5.7
131.08559	7.4
133.10135	8.1
135.08063	33.1
135.11678	4.2
137.09554	2.0
142.07826	2.3
143.08549	5.8
145.10117	6.2
147.08116	2.0
147.11688	3.3
149.09637	3.8
149.13303	2.2
157.10155	6.8
159.11719	3.1
161.09634	5.7
173.13263	2.1
177.12779	2.5
183.11668	1.8
185.13304	5.0
189.16478	1.6
191.15314	1.6
199.14932	2.5
199.56952	1.6
201.12735	2.0
213.12776	4.0
217.15903	16.4
218.70287	1.4
231.13702	8.0
255.17400	2.1
273.18500	14.9
291.19543	43.7
309.20798	5.4
309.24124	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03928	8.4
55.01874	8.7
55.05506	38.5
56.28162	4.8
57.03175	9.2
57.03438	87.3
67.05505	72.0
68.39864	4.9
69.07073	32.8
69.97224	18.1
71.05000	24.6
79.05497	80.1
81.03426	13.3
81.03867	5.7
81.07061	100.0
83.04985	11.0
83.08636	21.4
85.06544	21.2
86.09715	5.7
91.05476	72.4
93.07044	87.3
95.04996	34.3
95.08598	53.1
95.09106	6.5
97.06543	51.7
97.10164	9.4
99.08096	56.5
105.07034	65.7
107.04958	24.4
107.08613	42.1
109.06529	34.4
109.10175	29.4
111.08070	9.0
117.07023	33.5
119.08593	42.9
121.06535	11.1
121.10148	26.4
123.08057	12.9
123.11673	6.0
125.09605	8.0
127.07590	27.4
128.06329	5.8
129.07007	21.1
130.06496	13.8
131.08553	42.9
133.06458	13.5
133.10130	37.9
135.08066	23.6
135.11676	15.9
137.09627	7.8
142.07793	9.1
143.08598	31.3
145.10147	30.3
147.08063	16.2
147.11707	20.6
149.09662	15.8
149.13292	8.2
155.08531	8.7
156.09384	6.8
157.10156	40.1
159.11708	19.7
161.09676	15.0
161.13258	8.2
163.11253	12.4
167.08492	6.6
171.11707	14.7
173.09521	6.1
173.13336	7.6
173.16670	5.6
175.11162	8.7
183.11613	6.8
184.08943	6.1
185.13223	32.6
187.11176	7.6
199.14894	11.2
201.12717	7.8
203.14339	10.8
213.12732	20.4
217.15932	25.7
219.13829	17.2
223.13123	7.9
231.13795	71.2
233.15503	7.2
235.16805	7.0
245.19070	11.9
249.14758	11.0
255.17380	14.7
263.20068	11.4
273.18506	44.7
291.19537	81.8
309.20670	26.5
331.06064	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03927	7.6
55.01877	31.8
55.05510	35.6
57.03432	4.1
57.07063	6.8
64.22046	2.9
65.03927	5.5
67.05174	3.8
67.05508	68.4
68.20623	3.3
69.03430	11.2
69.07064	37.7
70.06576	4.1
71.04983	8.4
71.58377	3.3
75.40971	2.8
79.05494	50.4
79.43417	3.5
81.03396	5.9
81.07059	81.4
83.04977	17.5
83.08624	18.6
85.02922	3.9
85.06526	10.6
86.09701	12.3
91.05479	59.1
91.84392	2.8
93.07050	50.2
95.04989	22.2
95.08604	50.0
97.02911	8.3
97.06512	9.7
97.10157	9.3
98.06883	3.0
99.04432	5.6
99.08092	3.0
103.05488	3.1
105.07043	47.4
107.04925	11.6
107.08598	42.4
109.02901	4.3
109.06522	17.1
109.10148	41.7
111.04457	19.1
111.08064	13.4
113.05987	3.7
116.05312	6.3
117.07042	14.0
118.04858	3.3
119.07885	3.5
119.08585	36.1
120.12457	2.7
121.06474	20.4
121.10143	18.8
123.04403	9.9
123.08046	11.7
123.11692	9.0
125.02265	3.5
127.07552	2.9
128.06187	6.7
129.07007	17.9
131.08569	32.1
132.10222	6.1
132.86392	3.0
133.06468	13.1
133.10127	52.9
135.08064	17.1
135.11707	15.8
137.06000	14.3
137.09601	12.5
139.07431	5.2
141.06982	3.9
142.07751	6.9
143.08556	25.0
145.06500	3.9
145.10153	16.2
147.08049	27.1
147.11661	12.3
149.09624	23.3
149.13335	3.1
151.07506	6.4
151.11195	18.1
153.09148	4.6
155.08484	7.1
156.09334	4.5
157.06432	3.6
157.10124	24.8
159.08008	7.3
159.11676	11.2
161.06020	3.8
161.09637	23.8
161.13275	6.3
163.07552	3.7
163.11188	8.6
165.09076	7.4
165.12743	5.0
167.10678	3.8
169.10098	4.1
169.12178	3.4
170.10838	5.1
171.07982	6.9
171.11696	11.5
173.09540	4.9
175.11168	4.8
177.09102	6.6
179.10683	4.5
183.11658	4.2
185.13263	34.6
187.11374	3.0
189.09033	4.6
189.12602	5.5
195.11742	7.0
199.14911	4.0
203.14236	7.3
213.12662	24.3
223.13321	8.1
227.17897	4.5
231.13811	88.2
235.13254	6.8
245.19044	24.4
249.14874	6.0
249.18477	4.5
255.17395	19.3
263.20096	10.2
273.18491	96.1
291.19543	100.0
309.17181	4.3
309.20514	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03947	3.6
54.77312	1.3
55.01873	6.1
55.05264	1.9
55.05512	29.1
57.03442	6.1
57.07067	2.9
58.88590	1.2
59.05003	2.9
65.03926	1.7
67.05164	2.3
67.05505	35.8
67.92103	1.1
69.03419	3.9
69.07070	16.9
71.05015	2.7
71.18554	2.9
76.02226	3.5
76.18232	1.1
78.42805	1.2
79.05052	2.4
79.05495	37.4
81.03423	4.1
81.07061	37.5
83.04990	7.1
83.08617	14.8
85.06537	4.2
86.09740	1.8
91.05478	28.7
93.07047	31.1
95.04972	13.4
95.08614	50.7
97.06514	5.1
97.10170	20.0
99.08115	2.1
101.06017	1.6
103.05482	1.5
105.07034	26.2
107.04958	6.8
107.08593	23.2
109.06543	6.5
109.10141	11.9
111.04426	1.9
111.08077	5.1
113.05981	1.9
115.05453	3.3
117.07007	17.2
119.04933	2.0
119.07780	2.2
119.08581	28.9
120.08026	1.5
121.06506	6.1
121.10145	19.6
123.08086	12.4
123.11710	4.2
125.06039	1.3
125.09640	13.2
128.06224	2.8
129.07033	8.4
130.06502	1.4
130.07846	1.6
131.08572	15.4
133.06506	8.9
133.10149	11.2
135.08086	10.0
135.11670	5.5
137.09608	7.3
139.11156	1.4
142.07794	3.2
143.08545	11.8
145.06454	1.8
145.10120	20.9
147.04410	4.9
147.08057	14.9
147.11708	6.5
148.08934	1.7
149.09601	5.6
149.13268	2.5
150.43210	1.2
151.07530	3.1
155.08505	1.9
156.09383	1.9
157.10126	11.9
159.08038	2.8
159.11687	5.4
161.06009	1.7
161.09627	10.4
161.13297	1.6
163.11195	5.6
165.09119	4.0
167.10780	1.5
169.10143	1.5
170.10971	2.2
171.11693	4.0
173.09593	1.5
173.13239	1.9
175.03880	2.5
175.07620	2.0
175.11237	5.4
181.10187	1.6
183.11722	1.7
184.08775	1.3
185.13268	10.9
189.09668	1.7
189.11218	10.2
195.11693	2.0
199.14873	1.7
203.10385	1.5
203.14336	2.1
207.11758	1.4
213.12866	7.0
217.15871	1.7
227.18053	2.3
231.13811	25.9
235.13339	1.9
235.17038	2.1
237.16273	1.5
241.07040	1.5
245.19052	2.7
255.17418	4.3
263.19971	2.1
265.17892	2.1
273.18500	28.4
291.19543	100.0
292.19772	2.6
309.08243	1.7
309.11893	4.8
309.17529	2.5
309.20612	71.9
309.28027	2.4
310.23672	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48538	2.5
55.01858	5.1
55.05511	8.0
57.03441	25.9
57.07063	5.6
58.06592	10.7
59.06953	3.1
67.05505	25.3
69.03422	3.1
69.07064	8.8
70.07396	3.2
71.04998	3.9
71.57758	4.4
76.07664	3.3
79.05492	14.1
81.07060	18.4
81.08376	2.8
83.08639	5.0
85.06549	22.1
91.05488	16.4
93.07036	13.3
95.04990	25.3
95.08603	12.9
97.10139	4.2
98.20981	3.1
98.98445	3.5
105.06996	12.7
107.05000	2.8
107.08600	11.3
109.06522	28.5
109.10163	6.2
109.25218	2.5
113.06010	71.3
117.07055	6.4
119.08604	9.6
121.10172	6.2
122.03661	4.5
123.04044	3.7
123.08118	3.3
124.04141	3.6
125.04475	3.2
129.06999	5.6
131.08563	9.5
133.10104	8.4
135.08078	21.3
135.11665	4.7
137.05978	52.5
138.06320	88.5
139.06512	100.0
140.06763	47.8
143.08585	11.6
145.10139	10.7
147.08044	5.6
147.11737	3.1
149.09656	3.4
157.10107	15.6
159.11674	3.8
161.09644	4.0
163.11142	3.1
165.09084	2.9
166.11819	2.6
170.10962	4.0
171.11450	3.0
171.15765	2.9
183.15649	2.9
185.13235	14.3
199.14931	3.4
213.12650	13.4
217.15936	8.9
231.13834	39.4
249.14905	3.2
273.18506	10.5
291.19577	51.2
309.17307	3.1
309.20837	9.9
318.47253	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03947	14.0
55.01868	11.1
55.05513	71.9
57.03440	12.1
57.07071	3.4
59.04991	2.9
62.33154	1.8
65.03954	2.9
67.05507	51.3
69.03425	7.7
69.07067	22.3
70.70369	3.2
70.70689	2.4
71.04993	6.9
79.05496	96.3
81.03420	19.1
81.07063	67.6
83.04975	10.7
83.08624	31.3
85.06562	9.4
91.05482	38.1
93.07047	100.0
95.04974	38.2
95.08607	33.9
97.06551	9.6
97.10176	50.9
99.08077	5.3
105.04555	3.4
105.07037	22.9
107.04958	10.0
107.08591	30.3
109.06526	27.5
109.10145	10.2
111.04459	3.5
111.08076	5.5
111.91522	2.1
113.06010	23.2
117.07014	13.1
119.08578	23.8
121.06495	10.1
121.10146	40.3
123.04414	2.2
123.08074	47.8
123.11706	8.7
125.09640	46.5
128.06253	2.6
129.07005	5.5
131.08566	14.6
133.06487	3.6
133.10120	11.3
135.08064	14.3
135.11703	9.2
137.06056	2.2
137.09645	5.6
143.08551	8.6
143.10683	2.0
145.06450	3.7
145.10124	8.6
147.08043	8.1
147.11694	7.7
149.09645	5.3
149.13240	2.9
153.09126	5.4
157.10138	8.0
159.08081	2.6
159.11693	10.0
161.09647	6.3
163.11218	8.9
165.09131	5.7
169.10207	2.2
169.12195	3.0
170.10866	3.2
171.10188	2.2
173.09650	4.0
175.07585	2.2
175.11275	3.0
177.12772	3.0
185.13252	12.7
187.11206	5.8
187.13242	3.9
187.14833	2.2
189.11224	36.8
189.12677	1.6
193.12245	3.3
199.14923	3.0
203.14391	3.6
211.13358	4.0
213.12788	9.2
217.15877	4.2
223.13257	8.4
227.17824	2.7
231.13808	28.5
237.16525	3.4
249.14899	4.9
255.17551	5.0
266.21155	6.0
273.18491	28.2
291.19550	52.7
309.17328	3.1
309.20554	28.2
310.23737	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	308.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05502	2.4
57.03428	4.3
58.78012	0.9
58.99576	4.8
61.01154	33.5
67.05488	2.0
68.05032	1.0
69.05788	1.3
69.07076	1.1
70.06576	2.6
71.57203	1.3
74.99052	3.3
75.02690	3.5
76.02231	11.9
77.00627	2.7
78.24429	1.0
79.05514	1.5
81.07047	4.1
84.04510	6.6
84.08131	1.5
85.01120	3.7
85.02910	9.0
87.02695	53.1
89.04264	1.3
91.02213	1.4
91.05450	1.3
93.07030	1.7
95.04972	1.4
95.08603	1.5
101.04243	2.2
105.00088	5.1
105.03743	5.4
105.07021	1.4
116.01720	2.1
116.05312	2.5
117.03695	2.1
118.06516	3.7
119.08573	1.6
120.16148	1.2
130.05003	1.8
130.06520	3.5
133.03192	99.1
135.08057	1.4
142.03224	2.0
146.09644	1.6
154.71001	1.1
162.02226	3.8
176.14357	60.8
179.04807	6.6
191.99715	1.8
231.13828	1.5
233.05983	1.5
241.22247	1.4
290.08478	1.2
308.16794	100.0
309.17145	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69870	0.3
55.01886	0.5
57.03422	0.7
58.99585	1.1
70.06595	1.0
70.67407	0.3
70.97894	0.6
70.98240	0.8
72.08168	0.6
73.02921	0.6
76.01889	0.4
76.02235	4.5
76.04012	0.5
81.03407	0.8
84.04501	3.0
84.08128	1.1
85.02909	1.5
86.09695	1.3
97.02896	1.9
103.03941	0.5
103.05473	0.5
111.04494	0.4
116.01656	0.9
117.05774	1.0
118.06546	9.6
120.08100	0.7
129.07016	0.7
129.10252	0.5
130.06528	100.0
130.37766	0.4
131.07281	0.4
132.08072	2.5
138.83060	0.4
142.03183	0.7
142.06482	0.6
144.01132	0.6
144.04526	0.4
144.08073	2.6
146.05992	0.6
147.04361	0.5
148.35100	0.3
154.06502	0.7
155.07352	0.6
156.08095	3.3
158.06012	9.1
160.07611	4.0
162.02202	1.6
167.07358	0.8
168.08109	2.5
170.06035	1.7
170.09671	2.0
172.07584	4.8
179.04912	2.0
180.08116	1.2
182.06122	0.5
183.06773	0.9
184.07527	3.1
196.07562	1.5
198.05643	0.4
198.09181	3.0
200.07030	0.8
202.08800	0.8
208.07584	0.6
212.07091	0.4
214.08699	2.0
217.23438	0.3
226.08667	2.3
233.05975	0.7
244.09692	27.9
245.09814	0.4
247.06331	0.3
249.58212	0.4
262.10748	13.3
290.10245	0.4
308.11285	10.7
308.15015	0.7
308.18756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66360	0.4
55.01857	0.5
57.03413	0.6
63.25927	0.5
69.25325	4.1
71.01333	0.5
76.02212	2.0
82.91131	0.4
84.04505	0.7
85.02930	0.7
87.91264	0.4
97.02881	2.0
98.20869	1.8
98.21575	0.8
103.05488	0.5
103.40547	0.5
116.01623	0.6
117.05787	1.1
118.06536	7.6
129.06989	0.8
130.06532	100.0
131.06888	1.3
132.08064	2.5
132.82729	0.4
144.08076	2.7
146.06041	0.6
154.06552	0.8
156.08116	3.9
158.06021	8.2
159.64040	0.4
160.07597	4.8
167.07272	0.6
168.08102	2.8
170.06017	1.5
170.09656	1.7
172.07594	4.3
179.04878	1.0
180.08134	2.1
184.07576	3.1
196.07613	1.4
198.09140	2.2
200.07094	1.1
203.73807	0.5
208.07628	0.6
212.07182	0.6
214.08603	2.4
216.10291	0.5
226.08655	2.7
244.09697	27.5
262.10736	14.7
308.10947	7.9
317.41870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.05508	3.6
56.05016	3.0
58.99586	14.0
69.07079	3.8
70.06604	12.0
71.50001	2.6
72.08145	7.0
76.02232	85.3
76.03979	3.2
76.58057	2.1
79.05515	2.4
81.03410	9.5
81.07063	4.4
83.08606	2.3
84.04032	4.0
84.04510	44.1
84.08151	14.1
85.02918	3.2
86.09710	19.5
86.99062	5.1
88.03967	3.4
90.93341	1.8
91.02711	2.3
91.05476	5.6
93.07000	2.7
95.06081	2.0
98.21001	2.6
107.08611	2.5
109.06522	3.7
110.07168	4.2
114.95129	2.3
116.01707	14.1
120.08131	3.1
122.02742	2.8
125.79887	2.1
128.04927	2.2
129.10222	10.1
130.05104	13.1
130.06535	100.0
131.06889	3.8
142.03214	7.5
144.01157	6.4
145.02902	2.9
145.06416	2.5
152.05676	2.0
155.81796	2.2
159.08298	2.8
162.02209	31.2
162.03471	4.0
164.03888	4.1
170.02719	2.3
175.04021	2.9
179.04857	29.8
192.03297	4.9
210.04364	6.5
233.05927	10.6
244.09737	3.9
265.04944	5.6
291.06406	3.1
293.04553	2.5
308.06290	5.5
308.09061	7.2
308.15097	8.4
308.18481	3.7
309.07547	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	308.0911
Annotation	Glutathione
Peak:m/z	Relative Intensity
55.05514	1.0
56.05040	2.7
56.96559	1.5
57.98795	0.7
58.99588	19.7
60.04525	0.3
68.05045	0.5
69.03431	0.6
69.07047	0.3
69.88178	1.6
70.06588	3.1
72.08160	2.1
73.01137	0.6
74.75802	0.3
76.02229	100.0
76.03980	2.9
80.05019	2.0
81.03349	0.3
82.06581	1.0
82.49778	0.3
83.06115	0.7
84.04504	42.4
84.08144	3.0
85.02891	1.4
85.04827	0.4
86.09709	1.5
86.99058	4.4
88.02225	1.7
88.04004	0.4
88.65025	0.3
89.03897	0.4
91.05470	0.4
97.02917	0.3
98.20831	0.6
98.21429	0.7
100.02177	0.3
100.07638	2.3
102.05534	1.3
107.04988	0.4
110.06028	1.5
110.07121	0.4
110.97555	0.3
114.03741	1.6
116.01677	23.9
117.03368	0.5
119.04914	0.7
127.03844	0.3
128.07056	1.8
129.06554	0.3
129.10217	1.2
130.05008	12.7
130.08571	0.4
133.06001	0.3
135.04514	0.5
139.03897	0.9
139.82133	0.3
140.04257	0.7
141.04808	0.9
142.03220	11.1
144.01152	11.2
146.02737	0.8
146.06017	1.2
146.08122	6.4
147.04391	1.3
158.06035	1.2
161.03810	0.5
162.02206	38.5
163.03896	1.8
164.04338	0.3
170.02698	3.0
174.76161	0.3
179.04854	42.2
180.05173	0.3
185.12944	0.3
187.05382	2.3
188.03787	0.3
188.07109	1.2
198.09073	0.6
199.05333	0.5
205.06471	0.5
208.99701	0.7
210.00072	0.3
212.07104	0.5
215.04883	2.8
216.03311	0.8
226.08392	0.3
227.04881	0.7
233.05905	14.3
242.08197	0.4
245.05916	3.4
255.01680	0.7
273.02689	0.6
280.06714	0.4
290.08057	1.3
291.06424	2.0
308.09094	5.3
308.15686	1.3
308.21884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03935	3.0
55.01865	4.2
55.05259	2.7
55.05510	36.0
57.03437	6.9
57.07079	13.0
57.45275	1.3
58.06598	2.5
59.05001	10.9
65.03928	1.5
67.05166	2.2
67.05503	33.7
69.03418	4.4
69.07068	86.9
69.27669	4.8
69.28085	7.0
70.06567	1.3
71.01339	3.7
71.04992	11.8
71.08621	4.7
72.08188	1.9
75.84234	1.2
76.02227	2.0
79.05490	29.5
81.03421	4.0
81.07056	100.0
83.04982	6.7
83.08617	26.1
84.04507	2.0
85.06548	6.5
85.10188	1.7
86.06100	1.6
86.11911	1.3
88.07633	10.0
89.07948	2.9
91.05483	21.1
93.07043	62.2
95.04981	11.4
95.08605	87.7
97.06532	15.5
97.10163	16.9
98.20692	2.8
98.21374	4.3
98.85455	1.5
98.98434	1.7
99.04414	1.7
99.08105	2.8
99.28712	1.2
103.05476	2.5
104.07072	1.6
105.07017	22.8
107.04944	4.6
107.08593	55.6
109.06544	8.4
109.10152	37.1
111.08091	7.7
111.11721	15.0
115.05439	1.5
117.06998	8.4
119.08588	18.6
121.06513	8.1
121.09303	2.7
121.10144	41.7
123.04417	1.8
123.08064	8.1
123.10825	1.6
123.11707	23.8
124.05183	2.5
124.57897	1.4
125.09611	9.4
125.13269	2.4
128.06168	1.5
129.07010	3.1
130.06526	3.9
131.06876	2.8
131.08528	8.6
133.06464	4.1
133.10109	12.4
135.08037	8.3
135.11688	35.4
137.09604	4.3
137.13242	29.4
139.07510	2.0
139.11166	12.4
143.08565	3.1
144.09383	1.6
145.06479	2.0
145.10103	8.7
147.08005	2.0
147.11714	9.0
149.09651	3.6
149.13264	29.9
151.07542	2.5
151.11185	2.6
153.06996	1.4
155.08568	3.1
155.10631	1.5
157.10187	3.3
159.08025	3.8
159.11697	14.3
161.09570	2.5
161.13237	6.3
163.07512	5.6
163.11209	4.6
163.14848	3.7
165.09077	2.0
165.12698	1.4
167.10635	1.9
167.14279	2.9
168.09335	2.5
171.11624	1.3
171.77831	1.5
173.09648	3.5
173.13235	4.6
175.11206	1.4
175.14806	4.1
177.12781	5.9
177.16353	6.0
179.04860	1.8
179.14401	1.7
179.17827	2.0
181.12222	5.6
183.11661	6.6
187.11220	2.0
187.14879	2.6
189.09076	1.2
189.11200	2.5
189.12770	2.4
189.16408	2.2
191.17868	3.4
191.64093	1.3
195.13828	1.6
201.12669	2.4
201.16293	2.0
205.19485	2.4
214.21677	2.8
215.18039	2.6
215.22034	13.1
229.12138	5.6
233.15410	2.5
235.03944	3.2
243.17349	2.3
247.13246	1.8
247.24225	4.5
248.32759	1.5
259.24695	3.4
261.18469	4.5
261.25803	1.3
263.03452	16.8
263.23880	1.4
265.18057	1.6
271.16867	6.3
271.24158	3.8
278.05719	28.8
285.10349	2.3
289.14886	2.8
289.17987	25.0
289.25201	13.5
293.03320	2.8
307.11551	2.5
307.15363	19.9
307.19101	12.1
307.26578	64.0
308.05505	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.2
55.05507	23.4
57.03444	4.2
57.07057	4.0
59.04993	6.5
61.01132	2.2
65.03932	3.3
66.45845	2.1
67.05170	2.8
67.05503	36.6
68.05009	9.6
69.03406	4.6
69.05808	21.2
69.07065	26.5
70.06577	4.8
71.04992	13.0
73.06545	2.8
77.03931	2.1
79.05128	2.5
79.05496	30.4
81.03366	3.5
81.07054	36.5
83.04983	4.8
83.08604	9.8
84.04482	3.2
84.08131	2.4
85.06513	4.5
86.00649	2.1
86.09707	100.0
87.02693	3.9
87.04453	2.4
90.53991	2.3
91.05481	46.7
93.07047	39.3
95.04965	15.4
95.08623	27.8
97.06526	13.3
97.10140	6.8
98.98491	2.8
99.08086	3.0
100.02212	5.6
101.51553	2.5
103.05501	3.4
105.07039	49.1
107.04946	10.3
107.08597	25.8
108.01952	2.2
109.02808	2.7
109.06519	24.4
109.10156	13.8
111.08077	7.4
115.05397	2.7
116.05322	88.6
117.03722	10.6
117.07018	18.8
119.07789	3.3
119.08579	40.2
120.08120	4.4
121.02869	24.7
121.06515	18.0
121.10124	15.2
123.08073	15.7
123.11710	2.9
125.09637	6.1
128.05278	3.8
129.06946	7.8
130.03195	2.7
130.06500	7.8
131.06882	6.0
131.08559	17.2
132.10208	50.9
133.06480	5.0
133.10138	29.6
134.06326	3.5
135.08064	19.6
135.11668	5.5
137.05946	3.0
137.09592	9.6
141.06969	3.0
142.07761	4.2
143.08591	6.4
145.06435	3.7
145.10117	19.1
147.08043	5.1
147.11694	21.1
148.02556	5.2
149.05966	2.6
149.09607	9.9
149.13196	5.5
151.07655	3.0
151.11197	18.5
155.08495	4.2
157.06490	4.5
157.10130	6.4
159.08069	7.4
159.11711	10.6
161.09627	2.8
161.13229	5.9
163.07565	10.1
163.11180	10.1
165.12740	9.5
168.09308	5.2
169.10100	3.9
171.11716	4.0
173.09605	4.0
173.13248	9.9
175.09776	2.8
175.11191	4.3
176.02000	3.3
177.12808	3.6
179.04782	2.2
179.14284	2.4
181.10201	2.4
183.11687	8.5
187.11229	5.0
187.14862	3.1
189.11157	2.8
189.12674	2.9
197.13214	3.6
201.12706	3.7
205.15939	3.2
213.05440	6.8
215.14328	4.4
218.11102	2.6
219.13794	3.1
229.12233	9.7
229.19531	7.6
233.15323	9.0
237.14822	2.6
239.17993	10.6
247.13330	4.2
247.20625	5.4
251.16501	2.9
257.18979	9.3
271.16974	6.7
275.20084	45.7
289.17972	18.9
289.21100	3.9
307.08862	3.3
307.11450	17.7
307.15332	40.7
307.19058	16.0
307.22626	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
53.03952	3.6
54.96357	1.5
55.01880	7.1
55.05513	18.1
57.03441	31.3
57.07062	4.6
58.60669	1.4
59.05009	14.6
60.39100	1.5
62.66331	1.2
65.03941	2.4
67.05507	87.5
68.93708	1.3
69.03436	1.2
69.07068	15.6
69.48389	10.4
71.04990	4.2
73.02919	1.8
79.05497	51.6
79.97447	1.5
80.51762	1.4
81.03417	1.5
81.07059	92.2
83.04979	6.1
83.08619	7.4
85.06541	4.9
89.84290	1.3
90.86758	1.4
91.05482	32.0
93.07050	62.6
95.04946	4.3
95.08611	62.4
96.44007	1.4
97.06528	4.6
97.10169	4.2
99.08083	2.5
103.03975	1.7
105.07037	22.3
107.08598	31.9
109.06512	5.0
109.10158	34.0
111.04462	2.7
111.08076	3.6
117.07023	13.3
119.08579	20.0
121.02848	2.6
121.10149	30.8
123.08037	3.5
123.11721	15.5
128.60199	1.2
129.05482	13.0
129.07028	1.8
131.08574	25.8
133.10152	21.9
135.11714	31.6
137.09604	2.7
137.13254	3.9
143.08548	1.7
145.10126	18.1
147.11693	10.5
149.09613	2.4
149.13275	18.7
151.11214	2.7
155.07091	1.9
155.08548	1.7
157.10185	3.1
159.08121	1.4
159.11700	15.2
161.13272	3.6
163.07593	1.9
163.11230	4.1
168.09383	1.9
173.13287	12.6
177.12697	2.5
183.11705	3.7
187.14801	4.9
189.16397	6.8
191.17941	4.1
201.12691	1.5
203.10646	1.5
205.19409	1.8
215.17979	40.0
217.19484	3.0
229.12167	3.9
233.19005	10.9
247.13354	2.0
289.17917	3.7
289.21606	4.4
307.15497	19.2
307.22687	100.0
308.22989	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
52.87647	2.2
53.03936	4.9
55.05515	24.9
57.03233	2.3
57.03440	25.6
57.08299	2.7
57.42509	2.6
67.05510	100.0
67.15898	2.1
69.07076	17.1
71.04996	3.2
71.58331	2.4
75.09213	3.3
79.05495	70.5
81.03368	2.4
81.07061	83.2
83.04985	3.0
83.08617	9.7
85.13698	2.6
86.80442	2.3
91.05480	29.1
93.07053	72.3
95.04958	7.5
95.08610	56.0
99.08071	2.9
105.04539	2.2
105.07043	22.5
105.38591	2.4
107.08594	28.4
109.10155	30.0
117.07043	6.4
119.08578	15.0
121.10148	29.3
123.11744	7.2
131.08508	11.9
132.98808	2.7
133.10130	10.9
135.11693	16.4
145.10150	11.6
147.11687	6.2
149.13255	6.0
151.11220	2.9
159.11710	9.3
173.13272	4.5
187.73987	2.8
194.20975	2.7
215.17978	11.3
233.18983	3.2
307.22708	99.2
307.28287	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01875	15.5
55.05510	66.1
57.03447	7.1
59.05001	3.7
65.03947	3.2
67.05168	5.7
67.05503	65.1
69.03422	7.2
69.07059	23.8
69.95747	6.6
69.96153	9.4
70.45882	2.8
71.04989	4.8
76.59270	3.0
79.05494	100.0
81.03413	9.5
81.07062	59.3
82.41292	2.9
83.04987	21.8
83.08616	26.7
91.05479	43.1
91.06022	5.1
93.07034	51.4
95.04961	10.3
95.08603	25.6
97.06521	15.4
97.10170	44.5
105.07040	38.7
107.04967	35.7
107.08593	72.8
109.06503	7.8
109.10162	21.5
111.08092	4.6
117.07021	16.1
119.08592	25.9
121.06466	3.6
121.10171	19.5
123.08078	4.6
123.11709	6.7
125.09630	66.5
129.06920	4.9
131.08578	23.0
133.10121	30.2
135.08047	24.4
135.11664	9.8
137.05971	4.7
145.10117	15.5
147.11702	17.0
147.12727	3.8
149.09621	73.0
149.13272	4.9
153.09102	16.0
159.11687	10.6
161.13283	4.4
163.11208	6.4
165.09343	3.0
167.10663	3.1
167.75871	3.1
169.10172	4.0
169.12231	3.9
173.13263	8.8
175.11264	3.4
177.12744	5.5
179.14391	3.5
180.11459	3.2
183.11713	8.4
187.11247	3.5
187.13304	6.7
197.13264	4.8
203.10963	6.3
203.12755	50.0
205.12279	4.6
209.15346	3.7
229.19601	5.5
235.27974	3.1
247.20790	3.8
257.19019	11.3
275.20056	59.7
307.15421	20.4
307.22794	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	307.2267
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03939	7.5
55.01870	3.7
55.05511	29.5
57.03435	27.7
57.07069	3.7
65.03936	5.2
67.05505	100.0
69.07066	25.8
69.39182	21.4
71.04967	4.4
79.05489	72.0
81.03441	2.4
81.07058	96.9
83.04978	4.2
83.08613	7.1
85.06531	4.6
91.05481	40.0
93.07041	74.2
93.07623	5.0
95.04963	12.1
95.08602	61.1
97.06532	8.0
97.10152	3.1
98.21045	10.5
98.98412	2.7
99.08078	3.6
105.07031	31.9
107.08588	34.4
109.06523	6.0
109.10161	30.1
111.08073	4.2
111.99041	2.2
117.07009	14.7
119.08569	22.3
121.06508	4.5
121.10134	28.3
123.08044	6.1
123.11676	13.7
130.06534	8.0
131.08548	18.8
133.10132	22.1
135.02336	2.8
135.08070	7.6
135.11710	17.3
137.05971	6.5
137.09601	4.5
138.06310	5.4
143.08565	2.6
145.10106	16.9
147.11711	13.1
149.09636	4.9
149.13249	10.0
151.11241	6.5
155.08586	2.8
157.10124	4.5
159.08102	2.5
159.11713	10.6
161.13277	3.9
163.11182	4.0
165.12796	3.3
173.13281	10.8
177.12836	4.2
183.11755	8.1
187.14938	3.7
198.96411	2.8
207.13998	2.5
209.29967	2.6
215.17934	13.6
219.13849	3.4
229.12285	7.5
233.19029	5.3
257.19031	4.0
275.20090	29.2
289.18121	2.8
289.21545	3.8
307.15308	23.3
307.22769	96.5
307.26392	4.8
308.23209	2.6
308.29456	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
52.49496	0.7
53.03946	1.4
54.23092	0.7
55.01860	2.6
55.05513	14.8
57.03432	1.6
57.07077	3.9
57.90293	0.7
60.95815	0.8
65.03918	1.2
67.05505	16.2
69.03414	3.8
69.07067	11.7
71.04984	2.9
71.08615	1.4
71.33482	1.6
73.06585	0.9
76.02203	0.9
77.17358	0.8
79.05493	14.3
81.07058	25.4
83.04990	1.5
83.08639	5.2
85.06520	1.7
91.05470	12.7
93.07045	20.9
95.04967	7.3
95.08608	18.7
97.06520	3.2
97.10158	2.3
98.20976	0.8
98.98471	1.5
99.08102	1.1
101.78326	1.0
105.07032	23.7
107.04955	2.4
107.08594	19.1
109.06523	35.6
109.10165	9.1
111.08072	1.1
113.31732	1.0
117.06992	4.4
119.08580	14.7
121.02866	1.9
121.06521	12.1
121.10154	9.1
123.08076	9.0
123.11705	3.1
125.05835	0.9
125.09666	0.9
129.07013	1.6
131.08569	9.1
133.10129	6.9
135.08061	9.5
135.11678	3.7
137.09581	2.5
137.13229	1.4
141.06984	0.9
143.08588	1.8
145.10127	6.7
147.08011	2.4
147.11702	6.4
149.09598	4.0
149.13257	3.5
151.11142	1.0
153.12653	0.9
155.08557	1.6
157.10086	2.5
159.08034	1.9
159.11694	4.3
161.09581	2.1
161.13283	3.5
161.82808	0.9
163.07614	0.9
163.11183	5.7
163.14839	1.1
165.12755	20.4
168.09271	0.8
169.10078	1.5
173.09618	2.3
173.13263	4.3
175.14886	2.2
177.12747	5.2
177.16483	0.8
179.10670	2.2
183.11656	3.2
187.11154	1.0
187.14783	2.5
189.12782	1.4
191.14293	4.0
197.13229	1.5
201.12711	1.1
201.16420	0.9
205.15903	0.8
215.14255	2.1
215.17932	1.1
219.17282	0.9
229.12184	2.0
233.15428	1.7
237.34329	0.8
243.21118	2.7
251.16415	5.9
253.19537	1.1
261.19147	1.6
261.22134	14.4
262.71432	0.9
271.20508	2.5
289.18393	3.5
289.21616	100.0
290.21964	3.2
307.15561	9.9
307.19330	2.2
307.22659	41.5
308.22833	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03951	7.2
55.01878	16.4
55.05512	55.2
57.03438	34.1
57.07075	5.7
65.03940	6.3
65.73732	2.1
67.05167	4.5
67.05506	49.5
68.99802	2.8
69.03426	5.0
69.07068	30.5
69.85880	14.2
70.06569	2.4
71.04995	13.5
74.60698	2.3
78.13089	2.5
79.05499	52.6
81.03415	9.1
81.07056	44.6
83.04990	12.4
83.08630	22.6
84.04548	4.0
85.06557	6.9
86.09729	13.7
88.02220	5.3
91.05486	42.1
93.07048	32.6
95.04970	41.7
95.08610	20.5
97.06549	11.9
97.10175	35.6
98.20759	3.0
98.98434	3.3
103.05486	3.4
105.07034	29.3
107.04956	44.9
107.08598	40.8
109.06508	31.1
109.10140	16.5
111.08094	5.9
111.11653	2.5
113.06042	5.7
115.05466	4.3
116.05322	23.9
117.03677	2.7
117.07030	25.1
117.22031	2.2
118.06536	2.4
119.08582	34.7
121.02859	16.2
121.06520	63.3
121.10158	7.3
123.04427	8.9
123.08089	9.7
123.11703	2.8
125.09619	22.7
129.07027	9.7
130.06500	8.1
130.07541	2.1
131.04930	3.0
131.06871	3.6
131.08565	23.4
132.10269	5.0
133.06531	8.4
133.10126	18.7
135.08054	37.9
135.11681	3.4
137.05931	4.8
137.09622	11.3
141.07005	6.9
142.07761	4.0
143.08586	11.2
145.06499	8.9
145.10117	20.0
147.08051	18.3
147.11688	6.9
149.06000	4.5
149.09599	12.0
151.07498	4.3
151.11194	3.9
153.09099	3.4
155.01068	2.8
155.08556	9.1
157.06551	3.3
157.10156	8.9
159.08061	82.9
159.11708	9.3
161.09628	10.6
163.07542	38.9
163.11206	8.3
165.09128	3.1
168.09320	7.4
169.10214	5.4
171.11757	7.4
173.09608	11.7
173.11862	4.1
173.13310	6.8
175.11292	5.9
177.09135	7.8
177.12758	3.2
182.10942	3.5
183.11725	23.0
185.09627	9.6
185.13237	3.8
187.11255	7.1
187.14862	6.4
189.11217	8.6
189.12720	4.4
190.05022	3.7
191.10701	9.2
193.12262	7.2
197.09618	4.6
197.13260	3.0
199.11063	3.2
201.12848	8.6
203.10680	2.6
205.12338	3.9
209.11760	6.8
211.11238	7.8
213.05486	3.8
215.14308	6.8
217.12204	5.6
219.13837	12.3
226.24075	2.8
229.12222	16.9
233.15405	20.4
235.13194	3.8
237.14908	5.5
243.17462	8.3
247.13324	4.1
247.16887	4.7
253.15872	16.3
261.18466	8.0
265.20276	2.9
271.16913	26.0
275.20224	7.7
289.17972	100.0
307.09772	6.1
307.15378	76.7
307.19022	50.9
307.22391	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	307.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06180	0.5
56.05044	3.5
56.96567	0.7
58.06609	3.8
61.01154	0.9
69.07085	0.6
70.06603	1.8
70.15219	2.2
71.03747	0.6
72.08170	1.1
76.02227	0.6
76.03992	0.9
84.04513	33.4
84.08150	100.0
86.06070	8.1
86.09711	6.9
88.03996	3.4
91.05482	0.6
98.20954	1.2
116.01756	0.6
119.04973	0.7
130.05034	2.9
130.08665	2.2
132.95813	0.5
141.13879	7.8
144.10266	1.0
146.06044	0.8
147.04446	1.6
155.01097	0.5
163.03981	1.1
169.13387	11.0
177.03358	1.1
183.11696	1.7
198.11244	1.1
201.12585	1.1
202.41945	0.5
203.32953	0.5
208.15878	0.6
215.13931	44.5
216.14299	0.5
229.12242	0.9
231.04390	1.5
233.05995	0.7
235.02071	0.6
243.17068	47.8
260.16211	0.6
262.11200	2.7
279.06396	0.7
289.11829	0.6
307.06052	0.8
307.09644	0.5
307.17062	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	307.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51915	1.1
55.01838	1.3
55.41294	1.0
55.72288	1.1
56.96568	16.4
61.02911	3.3
61.83375	1.4
69.36776	4.5
69.37206	5.8
72.65807	1.2
77.00887	1.3
84.04513	7.9
84.08126	2.2
84.96004	1.4
85.02905	1.6
86.47206	1.2
94.93024	5.6
95.83481	1.2
96.04518	1.3
98.97546	2.2
100.99149	4.6
101.00871	21.4
103.02449	1.4
110.97610	1.7
113.00858	1.4
113.02344	1.4
114.05576	1.8
115.02435	11.2
116.98618	1.4
119.00226	2.9
119.01925	100.0
120.02090	1.7
121.01699	1.9
124.02454	1.4
128.98625	4.8
129.03989	3.7
130.04991	2.9
131.01926	7.3
133.01663	1.3
133.03473	20.6
135.04312	1.9
137.02966	24.6
142.04987	2.4
143.01898	9.8
144.98143	2.5
144.99828	3.6
145.03526	5.9
146.04106	1.3
146.99660	4.4
147.01361	1.5
147.04993	4.7
149.02974	2.6
151.04523	2.5
155.01898	8.2
157.03456	2.4
159.01399	3.2
159.71336	1.3
161.02972	20.0
162.99083	2.0
163.03891	9.3
165.00720	3.6
167.01945	1.4
168.99809	11.3
172.97586	1.8
173.02975	14.5
175.04575	2.3
177.02374	9.8
183.01645	1.5
183.11676	2.2
184.04443	1.5
185.03006	3.7
187.00871	26.4
187.02524	1.6
189.02527	2.5
190.98692	7.6
191.00235	1.9
191.04008	4.2
193.03490	2.1
196.99306	5.7
199.00966	1.4
201.02412	2.9
201.06097	2.8
202.87231	1.7
202.89113	29.6
203.04025	4.2
205.01965	12.8
208.99739	14.0
215.00394	32.9
217.01996	4.6
219.03519	10.2
221.03008	3.4
221.05043	2.6
223.02985	1.4
226.07080	1.7
227.03911	1.5
229.01906	13.6
229.12263	2.8
231.03909	1.4
232.92340	1.9
233.01466	3.9
235.03035	1.4
237.04848	1.4
238.02069	1.5
239.04016	1.7
245.05135	2.0
247.03001	49.0
257.05121	2.6
259.34131	1.2
261.04633	2.3
265.04016	8.2
270.04550	2.4
272.07639	1.6
275.03986	1.4
284.90210	1.3
288.98743	3.9
289.04034	7.6
293.00607	1.2
293.04971	1.7
306.99496	1.8
307.04929	6.8
307.10010	38.9
307.15271	9.4
307.18558	1.8
311.05994	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	307.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15363	0.8
56.96560	2.4
58.99863	1.2
61.02927	4.5
70.99347	2.2
70.99810	0.9
71.44997	0.8
73.32819	0.8
73.43198	0.8
74.80641	0.9
82.99862	2.2
84.04499	4.0
85.02897	2.0
85.81307	0.8
94.93016	3.9
97.01386	1.4
101.00881	27.9
103.01397	0.9
113.00842	1.1
113.02326	0.9
115.02423	13.9
117.04010	1.3
119.01924	100.0
120.96585	1.0
126.98770	1.4
129.03999	4.2
130.04997	1.3
131.01906	6.7
133.03468	21.9
137.01962	1.3
137.02965	19.8
141.02126	0.9
142.03502	1.2
143.01930	7.8
144.99800	4.4
145.03438	3.8
147.01405	2.1
147.05016	4.8
149.02962	2.1
151.04472	2.6
155.01857	1.4
157.03514	2.1
159.01369	4.2
161.02966	17.6
162.02936	1.0
163.03865	1.0
168.99821	10.7
171.01457	1.4
173.02994	5.7
177.02403	10.5
185.02907	1.7
187.00891	28.2
187.02585	1.8
189.02412	2.0
191.03929	4.4
196.99362	6.7
197.03058	1.0
199.00958	1.8
201.02490	2.5
202.89108	24.7
203.04037	1.5
205.01955	11.9
215.00381	35.4
216.90454	1.4
217.01953	2.5
218.92108	1.3
219.03519	9.7
220.03249	1.1
229.01956	13.1
231.04152	1.1
233.01389	4.0
238.02065	1.0
247.03011	59.7
261.04401	1.0
265.04062	12.5
270.04614	2.3
283.05188	1.2
289.03998	7.5
307.04922	7.3
307.15396	1.9
317.71198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.3
55.05510	11.0
57.07071	6.4
67.05510	14.2
69.03420	3.0
69.07070	12.4
70.06589	2.4
70.83192	3.6
71.04994	2.3
71.08643	13.2
79.05487	12.1
81.07060	19.8
83.04982	2.7
83.08620	3.0
85.06531	3.0
86.06066	2.6
86.09704	2.5
91.05467	10.4
93.07050	22.5
95.04968	19.5
95.08607	31.8
97.06553	7.6
98.21087	2.7
99.08106	9.0
100.07624	2.1
105.07031	11.3
107.04985	1.2
107.08598	15.1
109.06521	35.6
109.10173	10.6
111.08065	2.4
117.07014	2.3
119.08580	12.8
121.06496	10.2
121.10139	6.1
122.03681	2.6
123.08089	4.2
123.11669	1.6
128.10768	1.8
130.06516	1.8
130.07857	1.7
130.51230	1.3
131.08563	6.8
133.10144	8.0
135.08081	7.2
135.11671	3.2
137.05983	33.7
137.09608	8.7
143.08594	1.7
145.10156	6.8
147.08029	1.5
147.11732	4.3
149.09593	1.4
149.13257	2.6
151.11180	2.5
153.12733	1.7
154.12297	7.0
159.11726	1.7
161.13318	1.6
163.11234	7.4
163.14821	4.9
165.12761	100.0
173.13286	8.6
175.11203	6.3
177.12770	4.8
179.10548	1.4
179.14302	2.7
183.11769	1.8
184.13358	4.4
187.14844	2.8
191.14290	19.0
192.13905	1.6
197.13248	1.4
201.12759	4.4
205.15903	2.8
208.17026	3.4
208.79437	1.4
221.15392	2.1
229.19594	1.3
233.15448	1.7
243.21071	2.0
250.18063	1.7
261.22113	8.0
271.20712	7.2
288.23212	2.7
289.21625	76.9
306.24280	55.7
306.31631	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75121	0.3
66.04716	0.3
69.07070	1.3
70.70589	0.5
70.70927	0.7
79.05481	0.7
81.07055	0.8
93.07050	0.6
94.04192	1.9
98.20877	0.4
98.21426	0.3
105.07030	0.4
107.08591	0.3
109.10165	0.6
114.09129	0.5
122.03650	5.9
126.09194	0.5
133.10117	0.6
135.11667	0.8
137.05981	100.0
139.90233	0.3
153.12749	1.1
162.87891	0.4
170.15370	2.1
172.29906	0.3
182.15410	1.9
213.91154	0.3
281.50287	0.3
306.20602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93530	4.0
56.05023	2.5
56.96289	1.4
56.96566	22.0
58.99577	0.7
60.04524	23.7
69.03432	1.5
69.07030	1.3
70.02943	2.2
70.06248	1.2
70.06596	13.5
71.57953	0.9
71.93000	2.3
72.08134	6.4
72.93793	3.6
74.00648	1.1
74.06073	1.6
74.97619	1.2
76.02203	0.8
76.03981	1.5
76.24737	0.7
78.95248	0.8
79.05475	0.9
84.04508	7.5
84.08166	6.1
84.96001	1.5
85.02917	0.8
85.04033	0.9
86.06107	1.0
86.09706	74.2
87.05595	13.8
88.03997	1.6
89.03939	0.9
90.94830	3.2
98.06007	0.7
98.09684	0.8
98.66646	0.8
98.97582	3.0
100.99159	4.3
102.05537	1.0
106.05003	1.8
107.95095	1.1
109.06466	0.9
110.07143	3.0
110.97562	2.4
112.05083	1.7
112.08713	0.8
112.11250	1.8
115.08668	0.9
116.07096	1.6
116.98637	2.9
117.03383	0.9
119.00150	2.3
119.01920	3.0
119.04913	1.7
120.01968	0.8
120.08121	1.0
121.06514	2.7
122.07128	1.5
125.96120	1.4
128.10727	9.3
128.98601	5.4
129.10223	1.5
130.04982	4.0
130.08636	0.9
131.01970	1.0
131.04506	0.8
132.95834	1.1
134.99648	1.4
136.06166	1.8
136.07571	1.9
137.05959	1.5
140.01640	0.8
142.01872	0.9
144.04788	1.9
144.98091	2.7
145.02808	1.3
146.99673	7.6
147.04401	3.2
149.01247	0.9
149.96106	2.3
150.96883	1.9
156.03271	1.1
161.01237	0.8
161.96121	1.1
162.99136	4.4
163.03883	5.5
163.97479	1.0
164.04361	0.9
164.08145	1.4
165.00752	5.1
167.97192	1.2
171.98166	1.1
172.97485	0.9
173.12863	100.0
174.04352	0.8
174.99152	2.8
175.04532	0.9
175.11899	1.2
177.03317	2.9
177.05595	1.0
181.00072	0.8
181.01622	1.1
182.00273	0.8
183.01663	1.4
189.08847	1.1
190.98630	6.7
191.97188	2.8
193.00252	2.0
194.00557	1.2
201.12337	22.9
203.06683	1.7
205.00281	1.6
208.99672	12.0
209.85875	0.8
218.12489	1.1
219.13318	2.0
221.02966	0.9
221.06694	1.2
227.00632	2.2
229.12398	1.0
231.04361	1.6
233.98233	1.0
238.09232	1.2
244.03670	1.2
244.99696	1.1
246.12196	1.3
255.01729	1.9
263.00827	0.8
264.13095	3.5
273.02859	1.4
275.95645	0.9
288.15558	4.0
288.98669	4.5
289.01740	1.1
306.08301	1.1
306.16260	2.6
306.96375	0.9
306.99631	1.8
307.15375	3.1
324.09418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33012	2.2
53.03951	3.6
55.01870	8.8
55.05501	4.9
55.93517	4.1
57.03433	2.6
58.99574	5.6
62.98449	2.0
66.67017	2.1
67.05504	27.5
69.03414	4.0
69.07067	10.4
70.02942	2.8
70.06261	2.7
70.06579	15.1
71.04994	84.5
71.57882	3.6
72.08147	4.8
76.02225	6.2
78.81096	2.2
79.05490	55.0
81.07054	9.6
83.04970	17.5
84.04500	6.7
84.08138	8.2
85.02905	5.7
85.06541	3.6
86.06064	2.5
86.09706	10.1
86.99025	2.7
88.03990	21.7
89.02362	2.2
91.05474	23.7
93.07041	55.0
95.04971	3.4
95.08623	15.1
96.08124	2.6
97.06548	14.0
105.00095	4.4
105.07025	28.4
107.04956	6.2
107.08597	100.0
107.50713	2.1
109.06529	3.2
109.10162	6.4
110.07169	7.7
113.05973	2.6
116.07089	5.6
119.08606	15.3
120.08112	3.7
121.10149	62.4
122.02720	12.2
123.08072	9.2
125.06029	4.3
125.09665	11.3
127.07566	2.4
129.06964	3.1
130.04999	3.5
130.06532	9.0
131.06970	2.6
131.08569	40.5
137.05989	9.9
137.09631	12.9
139.05760	3.6
139.11176	4.3
140.01205	2.4
146.06032	4.6
147.04431	5.7
149.09627	65.1
155.10669	6.2
157.06819	2.5
167.10675	86.7
177.03348	4.3
181.06743	2.7
185.11765	17.2
188.07056	5.3
199.07898	10.2
201.09412	7.9
217.08931	3.9
232.07573	2.4
242.12234	2.9
243.10489	5.5
253.98511	2.6
273.57388	2.5
288.12674	5.5
289.11002	33.9
306.10742	4.2
306.13730	18.4
306.16837	4.1
311.61627	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18549	1.6
55.05501	7.9
57.07076	8.5
57.18359	1.6
58.99587	8.4
67.05495	2.3
69.03406	7.1
69.07050	2.8
70.61352	2.6
70.61687	3.8
71.05006	2.0
71.08632	19.7
71.46674	1.6
76.02229	18.8
79.05496	8.4
81.07053	11.6
83.04959	2.6
85.02906	17.7
85.06506	4.2
86.99035	5.1
91.05472	5.1
93.07043	25.3
95.04954	3.5
97.02895	30.1
97.06503	3.0
99.08096	19.5
100.02187	6.5
105.00099	11.4
105.06988	2.1
107.08605	2.0
110.82523	1.6
111.04445	14.2
113.06007	10.1
118.06539	5.3
121.06512	15.0
121.10158	25.9
122.02731	100.0
125.05972	4.5
128.01651	6.3
129.06950	2.1
131.08553	25.8
132.08051	2.3
139.11185	3.1
146.02762	12.0
146.09659	2.0
149.09613	56.5
167.10683	90.5
169.53175	1.8
174.02257	2.7
176.14357	30.3
185.11743	57.0
189.09473	4.1
217.08928	12.6
242.12059	2.9
270.11633	7.5
288.12619	14.9
306.13629	11.6
306.16977	40.2
306.20416	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	306.0971
Annotation	Ascorbigen
Peak:m/z	Relative Intensity
51.02366	0.1
55.05495	0.2
56.05030	0.1
57.07052	0.2
58.06590	0.3
62.76612	0.1
67.05506	0.2
68.05833	0.1
69.07059	0.1
70.06603	0.1
70.88410	0.1
70.88744	0.2
72.08159	0.2
74.06071	0.2
77.03912	0.2
79.05486	0.1
81.07047	0.2
86.06068	0.3
86.09707	0.1
88.07626	1.3
91.05486	0.2
93.07055	0.2
95.04977	0.2
95.08596	0.2
101.92492	0.1
103.05473	0.8
104.07117	0.2
105.07042	0.5
106.07376	0.3
107.08614	0.2
117.07050	0.2
119.08569	0.2
121.10119	0.1
130.06528	100.0
131.06017	0.2
131.06876	1.8
131.08504	0.1
132.10222	0.3
133.10121	0.3
134.09547	0.1
134.10489	0.3
135.11633	0.1
137.05989	0.3
146.05980	0.2
149.09497	0.1
162.11296	0.2
166.10782	0.1
172.12003	0.1
176.14365	0.9
177.14708	0.9
200.07150	0.1
214.21648	1.2
218.08031	0.1
228.11108	0.1
258.24298	0.6
278.21097	0.2
306.10004	0.6
306.15161	0.3
306.21109	0.8
306.26401	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	306.0972
Annotation	Ascorbigen
Peak:m/z	Relative Intensity
50.80884	0.3
62.96464	0.2
70.64318	0.5
70.64645	0.2
75.84863	0.2
98.21249	0.4
98.35845	0.2
103.05485	0.8
119.93237	0.2
122.75865	0.2
130.06535	100.0
131.06873	0.8
205.40280	0.2
270.65744	0.2
280.72940	0.2
306.09668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0971
Annotation	Ascorbigen
Peak:m/z	Relative Intensity
52.05913	0.2
54.73301	0.2
63.04957	0.2
63.40029	0.2
64.08680	0.2
70.06566	0.8
70.06792	0.6
71.08653	0.2
77.03938	0.2
80.40169	0.2
81.03409	0.6
88.07615	0.8
88.86285	0.2
95.01304	0.4
98.62189	0.2
100.02209	0.2
103.05486	0.6
109.02847	0.3
114.09183	0.5
118.06608	0.2
130.06526	100.0
131.06802	1.3
132.10210	1.4
144.04427	0.6
152.44682	0.2
158.06027	0.5
170.06064	0.3
176.12750	0.3
184.07541	0.7
194.13899	0.4
198.09145	0.4
200.06989	0.3
216.10223	0.3
218.08018	0.3
226.08644	0.4
245.25395	0.2
247.84653	0.2
306.09766	3.5
306.26376	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	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
50.01609	0.6
51.02370	0.4
53.03948	4.2
55.01873	2.5
55.05512	40.1
57.03437	1.1
57.07078	3.1
59.04996	0.9
64.69398	0.3
65.03942	4.5
67.05505	100.0
68.05849	0.4
69.03430	1.1
69.07069	36.7
70.18819	1.3
71.04996	3.0
71.08636	0.7
73.02921	4.0
73.06525	0.4
77.03941	1.1
79.05494	61.3
80.05817	0.4
81.03425	0.8
81.07057	71.1
83.04971	2.4
83.08619	12.6
85.06538	2.3
87.04475	1.0
91.05484	26.5
93.07045	64.4
94.07878	0.4
95.04975	7.3
95.08607	50.0
97.06544	2.7
97.10165	3.6
99.04462	4.0
99.08083	0.9
101.06065	0.6
103.05444	0.6
105.04510	1.6
105.07032	13.2
107.05005	0.3
107.08595	33.0
109.06517	2.6
109.10155	18.6
111.08089	1.3
111.11671	0.4
113.06036	0.9
115.07564	0.6
117.07024	2.2
119.06091	0.5
119.08586	10.0
121.06535	0.9
121.10146	21.4
123.08100	2.2
123.11714	4.5
125.09658	1.4
127.07566	1.0
129.06999	0.9
130.06506	0.4
131.08574	3.3
133.10132	6.8
135.08049	0.8
135.11696	10.4
135.12695	0.6
137.06000	1.3
137.09590	1.0
137.13272	0.7
139.11122	0.3
143.08580	0.9
145.10149	2.2
147.11679	3.9
149.09613	0.5
149.13255	6.8
151.11183	0.6
156.09314	0.5
157.10118	2.0
159.11714	1.9
161.09589	0.5
161.13280	1.6
163.11163	0.5
163.14862	2.8
165.12909	0.4
171.11697	1.9
173.13281	1.2
175.11215	0.6
175.14864	0.9
177.16437	0.6
185.09619	0.5
185.13249	0.4
187.14883	0.8
189.12825	0.5
191.17868	0.4
199.11163	1.0
199.14772	0.5
217.12196	0.6
221.15297	0.9
227.10709	1.5
245.11815	0.8
260.20212	0.5
263.12775	2.7
305.24744	53.2
306.24911	0.8
319.65543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Agallochin I
Peak:m/z	Relative Intensity
51.89678	2.8
52.38909	2.8
53.03949	5.4
55.05511	31.3
57.07085	6.6
59.05003	43.6
65.03925	5.6
67.05505	44.7
69.03423	5.6
69.07058	22.5
71.04990	4.1
72.87534	3.1
75.04462	3.6
79.05499	38.9
81.07057	41.6
83.04958	5.2
83.08627	7.5
85.06544	28.5
87.04454	3.6
88.64967	3.2
91.05479	54.0
93.07042	55.4
95.04950	8.6
95.08605	39.6
97.06540	7.9
97.10158	4.4
98.20708	8.0
98.21418	14.0
99.04421	8.5
99.58349	3.4
105.07031	45.2
107.08604	45.1
109.06512	18.8
109.10140	15.0
113.48133	3.3
115.05499	5.9
117.07048	18.1
119.08560	29.9
121.06441	4.2
121.10138	58.7
123.08086	31.0
123.11703	3.5
125.09640	11.7
128.06242	5.2
128.58665	3.2
129.07016	7.5
130.06458	3.4
130.07788	6.5
131.08580	17.9
133.06500	11.0
133.10109	11.0
135.08058	32.6
135.11707	5.9
137.05959	6.7
137.09619	4.8
139.11179	4.7
141.03703	6.3
142.07819	9.7
143.08574	12.7
145.10117	30.1
147.08031	4.9
147.11710	10.8
149.09627	37.9
150.10400	62.5
151.11182	42.4
155.08548	4.8
155.10645	4.2
156.09395	13.6
157.10138	25.0
159.07997	6.7
159.11697	12.4
161.09639	3.7
163.11153	4.7
165.09088	18.5
167.08606	4.4
167.10652	30.1
169.10095	7.6
171.11729	18.5
173.09552	6.4
173.13226	13.8
175.11185	8.6
177.12732	7.9
181.10092	6.6
182.10941	10.6
183.11740	5.9
185.09660	4.9
187.11183	3.4
187.14752	6.9
189.12733	10.8
191.14304	4.5
195.11665	7.9
196.12555	4.9
197.13252	13.3
199.11194	9.5
205.12230	29.0
205.15858	7.8
207.11690	6.7
209.13322	3.4
211.14981	4.6
213.12761	5.9
213.16431	5.5
215.14302	11.2
216.67932	3.3
217.12146	7.7
221.15370	5.2
222.13945	5.8
227.10713	8.1
229.15887	9.6
231.13777	5.2
233.15375	4.3
237.16365	14.2
247.16985	4.7
255.17421	16.8
263.12753	11.3
269.19092	5.8
287.20041	82.1
305.10254	4.0
305.16064	16.5
305.21097	100.0
305.24701	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30474	6.7
53.03946	12.6
55.01857	12.7
55.05517	66.5
57.07088	10.5
59.04982	8.4
67.05512	67.4
69.03423	20.3
69.07050	32.7
71.04989	9.3
71.08632	10.7
71.58289	13.2
79.05491	73.7
81.07066	100.0
81.13973	7.9
83.04966	11.6
83.08620	20.1
85.06539	31.7
88.07598	8.3
91.05486	91.1
93.07053	92.4
95.04984	25.8
95.08606	69.7
97.06550	12.9
105.07039	87.3
106.82358	7.6
107.08591	56.8
109.06522	29.3
109.10141	23.9
111.08099	9.6
112.99137	8.4
113.06016	17.9
115.05426	18.1
117.07001	49.7
119.08578	54.1
121.06510	14.5
121.10120	42.4
123.04396	11.8
123.08076	23.2
123.11684	7.4
125.09663	37.0
128.06247	15.9
129.07036	27.5
130.06535	40.7
130.07765	14.1
131.08575	92.4
133.06483	13.9
133.10133	28.3
135.08064	17.8
135.11659	12.4
137.06015	37.5
139.11154	12.9
142.07753	21.2
143.08554	70.0
145.10130	83.2
147.08025	14.1
147.11722	17.4
149.09595	21.8
149.13327	17.5
151.07588	9.5
151.11201	10.2
155.08595	10.8
156.09300	10.5
157.10095	55.0
159.08052	16.7
159.10342	9.5
159.11685	27.7
161.09602	19.3
161.13281	10.6
169.10181	9.4
171.11708	51.0
175.11227	14.6
177.12743	14.8
181.10191	8.8
185.09648	21.4
185.13289	12.4
187.11215	8.6
189.12787	10.3
195.11732	17.5
199.11200	29.1
213.16389	9.5
217.12262	22.3
227.10716	41.9
237.16319	11.1
245.11761	32.7
255.17477	21.1
263.12793	64.6
272.23932	7.7
273.18469	24.2
277.06848	10.1
287.20148	16.7
305.13715	23.9
305.17804	8.8
305.21478	64.6
305.24619	16.6
305.31522	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.05501	0.3
56.05034	0.8
57.03424	0.7
57.44441	0.2
69.03418	0.4
69.18679	0.3
70.06596	4.5
73.76360	0.2
76.31115	0.3
81.07072	0.3
84.04507	11.3
85.02908	15.0
86.06067	0.6
87.04467	0.5
88.85733	0.3
91.05486	1.0
93.05766	0.3
93.07038	0.7
94.02974	0.2
95.01344	1.5
95.04958	0.5
98.21228	1.8
101.04243	0.7
102.04920	0.5
102.05544	5.7
102.06163	0.4
105.07031	0.5
108.08054	0.3
112.03972	0.9
113.02377	1.2
118.06544	7.1
119.07291	0.4
120.08107	0.2
122.06043	0.6
124.07591	2.4
130.05006	41.2
130.06393	2.1
132.08107	2.3
133.08875	1.7
133.10092	0.4
134.09653	0.5
136.07581	22.0
137.07918	0.4
138.03510	0.2
140.07028	0.4
146.09657	2.5
147.07663	0.6
147.10425	0.2
152.07077	4.0
157.06328	0.2
160.11195	0.3
161.09718	0.3
161.12042	0.4
164.07072	16.9
170.08104	1.3
176.14351	100.0
177.14703	1.0
179.30653	0.2
182.08105	4.0
197.07474	0.3
199.11304	0.3
202.15944	1.0
216.13902	0.5
227.08455	0.3
227.10661	0.4
263.12665	0.3
273.07288	0.5
287.13950	0.7
287.17242	0.3
288.15915	5.1
305.05530	0.5
305.09863	1.2
305.18582	21.5
306.18927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35165	1.2
58.99588	8.2
60.04513	1.8
61.01147	3.4
70.01551	1.2
70.06584	1.9
70.55300	1.3
71.04386	2.8
72.08156	3.7
73.01124	1.3
73.19395	1.4
80.05012	2.3
81.03415	2.1
82.06582	2.0
82.10764	1.3
84.04513	1.5
84.08138	2.9
85.01116	2.0
86.99043	4.3
87.02679	3.8
88.02190	3.6
97.01115	3.1
97.52648	1.3
99.01422	1.7
100.02204	8.2
111.01416	7.8
111.02676	1.6
112.02193	12.8
116.01682	25.6
120.08120	3.0
126.03709	3.9
130.08684	1.4
136.02165	51.6
137.02962	21.5
138.03737	19.1
140.05299	6.2
144.01102	2.7
144.04846	6.5
145.03166	2.3
152.07039	1.4
154.03215	6.1
162.02167	3.4
164.01657	19.3
165.04890	1.3
166.03218	5.8
169.04318	2.6
184.02519	5.0
184.04207	1.6
193.04321	69.4
195.05916	1.4
202.03633	3.7
211.05330	2.4
230.03065	15.9
231.06358	2.2
239.04865	100.0
240.05540	1.6
241.04401	2.1
241.06445	21.9
241.13368	1.7
242.07071	1.5
245.11687	2.0
248.04054	3.0
259.05707	24.4
263.12766	4.1
269.12885	5.4
287.05225	14.5
287.13922	3.5
297.11401	1.6
305.06323	20.8
305.09982	2.0
305.15121	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	305.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	84.3
59.72830	1.2
60.95859	13.1
69.92462	2.8
69.92879	4.8
70.06559	1.9
70.98123	32.4
71.95255	6.6
72.08144	2.8
72.96057	3.3
74.97585	2.4
79.89686	1.5
84.08137	2.7
84.96035	5.4
86.09700	7.1
87.96903	2.0
88.99160	10.8
89.80765	1.3
98.20837	2.9
98.21381	3.0
98.97589	100.0
107.00243	2.0
110.97569	10.7
112.99151	3.5
115.00705	3.0
116.98631	60.5
119.01933	2.5
124.95501	14.2
124.99139	3.4
126.97101	1.5
128.98598	13.0
131.00169	3.0
133.01785	2.8
134.99666	22.8
136.07651	2.1
140.98582	3.0
142.96532	14.5
143.00188	9.6
143.01883	1.7
144.98053	5.4
145.01756	3.2
146.04761	2.2
146.99661	14.8
149.01207	3.1
153.00716	2.1
154.96526	3.7
155.01993	1.6
156.98132	6.9
158.99660	9.0
160.97563	6.0
161.01239	8.8
161.02940	3.2
162.04175	3.4
162.99190	2.3
164.05757	1.8
165.00769	7.4
170.96031	9.6
172.97598	14.5
173.01276	5.2
174.99130	17.3
177.00783	8.3
178.72275	1.4
180.05276	1.9
184.97569	7.4
186.99117	4.0
188.97070	23.1
189.00685	10.9
190.98643	23.3
191.02286	2.2
192.05232	2.6
193.00227	12.6
201.00648	3.3
202.98633	19.2
205.00185	8.9
206.98134	12.2
207.01750	8.3
208.99683	3.2
210.04700	4.3
210.06392	4.3
212.97047	3.7
214.98672	8.4
217.00214	6.1
219.01852	2.4
220.99707	16.3
223.01270	2.8
228.07373	5.0
230.98126	23.2
232.99696	17.0
235.01297	7.8
239.00809	3.4
244.99797	6.8
248.99066	9.5
251.00819	1.9
263.00751	23.4
275.00735	1.6
281.01801	19.6
299.02979	3.6
305.11948	4.4
305.17474	3.6
313.64624	2.6
323.14847	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	304.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
55.69054	1.2
56.05037	14.4
56.96581	6.5
56.96819	1.6
57.03448	1.8
58.06598	3.7
60.05650	1.8
68.05033	4.6
69.03451	1.6
69.05815	6.2
69.07069	2.1
69.89864	6.9
70.02934	1.3
70.06597	36.6
72.08152	5.9
74.06088	18.8
84.04509	30.4
84.08160	8.9
84.36172	1.3
85.02947	1.8
85.07668	2.7
86.06068	9.0
86.09711	100.0
87.04454	1.9
87.05568	1.9
88.03995	5.8
98.06023	1.8
98.20813	2.3
98.97585	4.4
100.03996	2.0
101.07134	11.8
102.03780	3.9
102.05542	6.0
110.07170	6.8
113.10811	1.5
114.05531	22.6
116.05331	10.1
116.07095	5.5
117.03734	2.5
120.06601	4.8
124.07619	2.9
127.05063	4.8
127.08672	5.9
128.07086	2.9
129.06624	3.9
129.10243	3.9
130.05031	2.9
132.10217	4.0
132.52597	1.5
140.07162	2.3
141.10246	5.1
142.08698	3.2
142.09769	1.9
142.12263	6.9
143.11806	3.5
145.09773	1.6
147.04428	2.8
148.04665	1.5
155.08176	4.0
156.07784	1.5
157.09781	2.1
157.13390	34.7
163.03870	1.6
170.02899	2.1
173.09248	5.9
175.11945	3.5
183.02960	2.4
184.03125	2.2
185.09229	40.1
185.12817	11.6
186.07666	1.9
187.14423	37.7
191.10234	3.1
193.04184	1.7
196.10925	1.7
201.08768	1.8
201.12433	7.9
203.10295	2.6
203.13934	2.1
205.96690	1.6
211.05170	1.5
215.13887	15.2
217.93172	1.5
224.04733	2.9
227.10664	1.6
229.07373	1.4
233.14972	1.8
240.08073	1.9
240.13519	1.8
245.11798	2.4
258.14664	1.5
263.12860	4.1
273.02811	1.7
276.04135	1.6
286.14017	20.7
286.17459	4.2
287.04755	1.5
304.08255	6.0
304.15668	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1656
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
51.64111	0.6
53.03941	0.9
55.01897	0.7
55.05513	12.4
56.05039	1.5
57.05816	1.7
67.05505	1.1
68.05012	0.8
69.03412	1.0
70.06588	4.8
71.04983	1.0
71.14617	1.2
72.08156	100.0
73.08480	1.2
79.05492	1.7
81.03416	1.0
81.07065	1.6
82.06600	0.6
84.04504	1.8
84.08142	11.6
85.01144	0.7
85.02901	1.0
85.08424	0.7
86.00640	0.6
86.09709	2.2
87.02682	0.8
90.40462	0.7
91.05468	1.8
93.07067	1.4
95.01351	1.0
97.06520	0.6
98.06068	3.1
98.20800	0.7
98.21345	0.7
99.09221	0.7
103.05504	0.8
106.56528	0.6
107.08680	0.6
109.06529	0.7
110.07191	0.7
114.05512	1.9
114.09151	0.7
115.05473	1.8
116.07094	3.1
117.03738	0.9
117.05781	1.7
117.07005	1.2
118.06552	5.0
119.08542	1.0
120.08119	11.4
121.08421	1.1
124.07563	1.1
127.08696	3.0
128.04958	0.8
128.27249	0.6
129.02499	0.7
129.10226	5.5
130.03239	0.8
130.06526	14.0
130.08647	2.8
132.01158	1.3
132.04475	1.4
132.08090	24.9
137.02364	1.3
138.02698	1.1
142.06541	3.3
143.07269	0.8
144.04414	1.8
144.08083	20.3
144.09212	1.2
146.06010	41.9
146.98767	0.6
147.04437	0.7
147.11263	1.7
153.01846	1.7
153.04808	1.0
157.01096	0.7
159.09183	41.4
160.07590	2.8
161.12950	0.8
170.06010	9.6
171.14960	4.3
174.05545	2.0
177.10272	1.5
183.10167	0.7
185.09145	4.0
186.12479	1.8
187.08714	0.8
188.07074	44.3
196.13326	1.5
202.05869	1.1
202.08916	2.8
204.13478	3.6
205.09735	33.0
211.13237	1.4
213.13737	0.8
214.14305	0.9
230.05147	1.1
240.10480	1.8
240.12718	0.6
241.13391	1.0
242.08072	0.8
256.07538	1.3
258.04788	1.5
258.07349	0.7
258.16052	0.9
259.14401	2.4
260.14938	0.9
269.12872	2.1
272.87140	0.6
286.11072	0.9
286.13986	2.1
287.13895	20.4
304.05301	20.8
304.08154	1.4
304.13339	0.7
304.16547	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	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03957	0.2
55.01860	0.4
65.03939	0.7
67.01854	0.3
67.05511	0.4
68.99799	2.2
69.03417	0.3
69.41618	1.1
69.42037	0.4
70.06598	0.4
72.08160	0.2
81.03416	0.7
81.07072	0.2
91.05465	0.3
93.03400	0.7
95.04979	0.8
97.02882	0.2
98.21236	0.6
103.05489	0.3
104.07303	0.2
105.03427	0.2
107.04951	0.2
109.02896	1.2
109.06510	0.2
111.00816	2.0
112.07611	0.2
112.20390	0.2
117.07027	0.5
121.02868	2.2
123.04449	0.9
127.03902	0.4
128.06227	0.2
129.06966	0.2
131.04929	0.6
133.02870	0.2
135.04408	0.6
136.06247	0.2
136.07579	0.3
137.02354	8.0
137.03383	0.4
137.05923	0.3
145.02823	0.2
145.06470	0.9
147.04442	0.2
149.02342	0.9
153.01843	9.8
155.04884	0.9
157.06622	0.2
159.04416	0.3
161.06020	0.8
163.03932	1.3
164.07173	0.2
165.01852	3.9
166.02632	0.5
168.00609	0.2
171.02951	0.3
173.05991	1.1
177.05569	0.3
179.03439	0.3
183.02904	2.0
183.04468	0.8
183.06030	0.2
186.01654	0.2
187.03903	0.9
191.03316	0.4
191.07048	0.2
195.02904	0.4
201.05470	4.5
205.05008	0.5
207.02927	0.3
211.03984	0.3
213.05479	0.4
215.03395	0.2
219.02867	0.3
219.06557	0.7
225.07579	0.2
226.08609	0.4
228.04181	0.7
229.04979	10.0
230.05353	0.2
239.03481	0.2
240.10182	0.2
247.06023	1.1
257.04465	5.5
257.12827	0.2
268.09622	0.2
274.04831	1.6
275.05374	0.4
275.14096	0.2
281.76318	0.2
285.04028	2.2
303.05008	100.0
304.05359	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57481	0.1
55.01862	0.4
65.03931	0.6
67.01853	0.5
67.05482	0.2
68.99788	2.2
69.03411	0.3
71.03899	0.3
75.24941	0.1
81.03403	0.8
88.36136	0.1
91.05490	0.3
93.03419	0.8
95.04956	0.8
103.05479	0.1
105.03411	0.2
109.02882	1.1
110.03692	0.2
111.00810	2.1
115.05404	0.2
117.07005	0.4
121.02879	2.4
123.04443	0.8
127.03898	0.6
129.06943	0.2
131.04887	0.4
133.06552	0.2
135.04431	0.4
137.02348	7.5
137.03375	0.4
137.05977	0.2
139.05365	0.2
145.06482	0.9
147.04422	0.4
149.02345	1.0
153.01834	10.3
155.04930	1.2
159.04434	0.5
161.05956	0.6
163.03911	1.4
165.01842	3.6
166.02640	0.3
168.00542	0.4
171.04393	0.2
173.05998	1.5
173.75340	0.1
177.01941	0.3
177.05537	0.4
179.03430	0.3
183.02884	2.4
183.04442	0.9
186.01620	0.3
187.03850	1.0
191.03429	0.2
191.07007	0.3
195.02855	0.5
201.05482	4.6
205.04936	0.4
211.03932	0.4
213.05478	0.3
215.03481	0.2
219.02904	0.3
219.06535	0.6
228.04170	0.7
229.04971	9.4
232.03880	0.2
234.96854	0.2
239.03441	0.4
245.04485	0.3
247.06049	1.3
257.04456	4.9
274.04758	1.4
275.05383	0.3
285.03946	2.2
288.05197	0.2
303.04996	100.0
304.05310	1.8
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
55.01867	0.3
55.63254	0.1
65.03934	0.7
67.01855	0.4
67.05486	0.2
68.99791	2.1
69.03406	0.2
70.13867	0.5
77.03961	0.1
81.03434	0.6
91.05499	0.2
93.03404	0.7
95.04967	0.8
98.20966	0.2
105.03421	0.3
107.04974	0.3
109.02877	1.0
110.03622	0.2
111.00808	1.8
115.05430	0.3
117.07007	0.3
121.02877	2.1
123.04433	0.4
127.03947	0.8
129.06937	0.2
131.04915	0.4
133.06406	0.1
135.04413	0.5
137.02348	7.5
137.03394	0.6
145.02878	0.2
145.06509	0.7
147.04405	0.4
149.02348	0.9
150.90213	0.1
153.01833	10.1
155.04883	1.1
155.06006	0.2
157.01128	0.1
157.06447	0.2
159.04402	0.4
161.05965	0.8
163.03903	1.5
163.34308	0.1
165.01837	3.9
165.03239	0.2
166.02611	0.7
171.02855	0.2
173.02469	0.1
173.05978	1.4
177.01898	0.2
177.05507	0.1
179.03400	0.5
183.02884	1.2
183.04431	0.9
187.03899	1.0
191.03444	0.3
191.06947	0.2
195.02916	0.4
201.05472	3.9
205.04909	0.4
207.02817	0.2
211.03860	0.3
213.05513	0.3
215.03416	0.3
219.02895	0.3
219.06599	0.3
228.04182	0.7
229.04968	9.5
230.05319	0.2
232.03732	0.2
233.45850	0.1
239.03432	0.4
246.05157	0.2
247.06033	1.3
257.04471	5.2
258.05081	0.2
267.02826	0.1
274.04788	1.4
275.05298	0.2
285.03952	2.5
286.04593	0.3
303.04990	100.0
304.05261	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.87938	0.2
55.01869	0.5
55.05516	0.3
65.03928	0.8
67.01858	0.4
67.05496	0.5
68.99788	2.1
69.03423	0.2
70.06583	0.4
71.06906	0.3
79.05486	0.2
80.05792	0.2
81.03400	0.9
81.07036	0.3
82.36626	0.2
84.08140	0.3
86.09700	0.3
91.05505	0.9
93.03392	0.6
93.07026	0.4
95.04972	1.1
95.08610	0.4
100.11256	0.3
103.05449	0.5
105.03397	0.2
105.07008	0.4
107.04948	0.4
107.08590	0.4
109.02885	1.3
109.10145	0.2
110.80336	0.2
111.00794	1.8
111.04427	0.2
115.05443	0.3
116.02636	0.2
117.06996	0.4
119.04903	0.3
119.08568	0.4
121.02851	2.4
121.06474	0.4
123.04420	0.9
127.03891	0.6
127.05636	0.2
129.06984	0.2
131.04944	0.9
131.08556	0.3
133.06456	0.2
135.04424	0.6
137.02338	7.8
137.03380	0.5
137.05975	1.0
143.04912	0.3
145.06461	0.8
145.10094	0.3
147.04379	0.4
147.11687	0.2
149.02348	0.9
149.05981	0.3
151.07590	0.4
153.01826	9.8
155.04906	1.0
155.08484	0.2
157.10136	0.3
159.04442	0.2
159.08038	0.2
161.06062	0.9
163.03893	1.3
163.07547	0.3
165.01837	3.8
165.07019	0.5
166.02600	0.3
168.00493	0.9
168.05734	0.4
169.10161	0.3
173.05930	1.4
177.01834	0.2
177.05463	0.3
179.03299	0.5
179.06944	0.2
183.02919	4.3
183.04431	0.8
183.08064	0.9
185.06021	0.3
186.01610	0.8
187.03902	1.0
187.07533	0.2
187.11090	0.2
191.03377	0.3
195.02861	0.3
197.05922	0.2
201.05461	4.4
205.04967	0.3
207.02792	0.3
211.03917	0.3
211.07564	0.6
213.05333	0.4
215.10631	0.7
219.02959	0.4
219.06522	0.5
222.50246	0.2
228.04156	0.8
229.04958	9.1
239.03401	0.5
243.10301	0.6
247.06064	1.2
257.04440	4.9
257.16510	0.9
261.11475	0.3
271.09668	0.8
274.04770	1.6
275.05392	0.5
285.03989	2.3
285.12253	0.4
288.05383	0.6
293.15222	0.2
303.04984	100.0
303.16986	1.3
304.05258	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
53.50180	0.2
55.01864	0.4
65.03930	0.4
67.01850	0.3
68.99789	2.1
70.73698	0.5
72.47102	0.2
81.03402	0.8
93.03413	0.7
95.04964	0.8
98.21024	0.4
105.07066	0.3
107.05032	0.4
107.52834	0.2
109.02850	1.3
111.00840	1.7
117.06999	0.3
121.02876	2.4
121.25829	0.3
123.04444	0.7
127.03902	0.5
132.97745	0.3
135.04388	0.3
137.02354	7.3
137.03389	0.6
139.10396	0.2
145.06447	0.6
149.02336	0.8
153.01825	9.8
155.04915	1.0
157.06407	0.4
159.04381	0.3
159.17656	0.2
161.05995	0.5
163.03896	1.3
165.01843	4.0
166.02574	0.4
171.04422	0.2
173.05975	1.3
177.05444	0.4
179.03377	0.4
183.02885	1.7
183.04399	0.8
187.03882	0.9
195.02887	0.3
201.05457	4.3
205.04945	0.5
211.03770	0.3
215.03328	0.3
219.03006	0.3
219.06467	0.6
221.31502	0.3
228.04263	0.5
229.04959	9.4
239.03464	0.6
247.05954	1.2
257.04462	5.2
274.04727	1.2
285.04007	2.7
303.04987	100.0
304.05460	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59376	2.3
56.96555	6.9
61.02920	7.5
69.03420	2.9
70.06583	10.6
70.44336	5.8
70.44720	5.2
72.08137	3.6
73.02912	4.2
76.84576	2.3
77.00922	3.5
77.95956	2.2
78.95659	2.1
81.03428	2.2
81.04545	5.6
82.04887	3.2
83.79579	2.2
84.04503	4.6
84.08119	7.1
85.01408	5.0
85.02921	4.9
86.09741	3.4
91.05476	10.4
91.61304	2.3
98.97590	6.2
99.65499	2.1
103.02458	31.5
110.97569	2.3
113.00883	4.6
115.02413	2.9
116.07042	4.0
117.04013	2.5
119.01876	7.0
119.04949	27.8
119.87032	2.1
121.03501	17.8
122.07153	4.6
123.07502	3.0
126.98832	2.3
129.10220	4.3
131.01904	29.6
133.03476	8.5
134.99628	2.1
140.08165	14.1
141.08655	10.9
144.99843	17.0
145.03481	4.0
147.01378	12.7
147.04413	92.2
149.02930	12.0
151.68593	2.6
157.01096	99.3
159.06161	2.7
161.02895	6.1
163.00954	5.2
169.02614	100.0
171.01408	9.8
172.99258	17.5
173.02963	4.2
174.99231	3.2
175.00842	3.3
175.11873	2.9
177.02475	3.7
180.99841	3.2
183.02859	7.5
186.01590	3.4
187.00871	7.1
187.03610	3.1
189.02460	3.7
191.00381	15.2
191.03935	4.5
193.00200	5.4
193.01863	4.6
199.00928	28.2
200.04449	5.4
205.01860	6.7
205.03514	14.2
205.06618	3.1
213.97499	3.2
217.02005	15.6
221.03009	5.5
223.04597	24.4
231.03503	15.2
242.99834	24.1
245.01410	2.9
249.04544	2.8
257.01294	2.7
259.04553	8.5
261.00586	2.4
261.11252	2.3
270.99283	6.5
275.03955	8.3
303.04941	16.2
303.08047	4.0
303.13754	16.9
303.17761	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	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01149	0.4
56.96556	0.7
59.98074	0.5
70.90575	1.0
80.78448	0.4
94.21848	0.4
98.97588	3.6
101.00887	1.2
116.98621	3.9
119.01924	6.5
132.11794	0.5
134.99677	2.0
137.02948	1.4
157.67975	0.5
168.00552	0.7
177.00955	13.5
178.01047	1.2
179.00735	1.0
183.02939	2.1
186.01570	0.8
201.00909	0.9
215.10690	1.4
217.04124	1.9
219.02011	21.0
220.02072	2.8
221.01865	2.3
225.00807	2.1
232.61751	0.5
234.99957	0.6
243.02005	8.9
244.02103	1.1
261.03064	100.0
262.03189	11.2
263.02994	1.1
275.04663	1.0
279.00482	2.4
279.98151	1.2
282.99939	1.0
284.04633	2.5
284.99820	3.2
285.04428	0.6
301.01086	1.5
303.00833	4.4
303.04477	1.0
303.08594	1.1
303.12244	0.8
320.97995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.4
56.05040	2.1
60.04526	0.7
67.05500	1.1
68.53725	0.6
68.99796	1.0
69.07081	1.5
69.74331	3.9
69.75644	0.7
70.06595	8.9
72.08157	100.0
74.06098	1.0
79.05496	1.3
81.03438	1.0
81.07053	1.0
84.04506	3.3
84.08147	5.7
85.02912	1.2
86.09708	52.8
88.03991	0.8
91.05484	1.8
93.07050	0.8
95.04945	1.0
95.08591	1.2
99.00829	1.1
104.14043	0.7
105.06992	0.8
110.07140	0.9
112.01501	0.7
112.07620	1.5
112.08698	0.7
114.09193	0.7
118.08672	2.5
119.04958	1.1
121.02884	1.3
122.03182	1.0
129.10229	3.2
130.05034	0.8
130.06531	1.5
132.10193	6.7
135.04359	0.8
137.02348	1.9
140.01035	0.8
143.11798	66.7
147.04411	2.2
153.01808	3.2
157.01112	1.3
157.13367	21.4
165.01830	0.9
168.00525	5.7
169.00900	3.0
169.02542	1.1
171.11295	29.4
174.05492	0.9
182.15492	1.2
183.02893	6.4
185.12865	10.1
185.16455	1.0
186.01572	6.4
187.01933	2.3
189.12350	0.9
193.12228	1.0
201.05431	1.6
203.13843	2.1
210.14919	2.4
215.10626	0.8
229.04956	3.3
231.16983	3.0
243.10100	1.1
257.04434	2.4
267.16183	1.0
274.04532	1.0
285.03790	0.9
286.04639	3.0
287.05051	33.5
302.04041	5.2
302.07364	34.7
302.16281	0.9
302.19601	2.8
303.05005	33.8
303.08316	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	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16917	0.5
55.01857	0.7
55.05505	0.6
56.05036	1.0
57.03434	1.0
65.03955	0.7
67.05499	1.8
67.53315	0.4
68.89256	0.5
68.99791	1.2
69.03426	1.8
69.07074	1.2
70.06593	6.1
71.57979	0.6
72.08154	1.0
75.05591	0.9
79.05492	1.4
81.03410	1.3
81.07061	1.4
83.04997	0.8
84.04530	0.5
84.08139	2.1
85.02902	4.5
85.24841	0.5
86.09707	100.0
91.05485	1.8
93.07050	1.2
95.04971	0.8
95.08614	1.0
97.02886	2.0
97.06531	0.6
98.21254	0.6
105.07014	1.5
107.04942	0.9
107.08633	0.7
109.02885	1.3
109.10163	0.5
110.07181	0.7
111.00841	0.6
112.07613	3.0
119.04908	0.7
119.08602	0.8
121.02867	1.3
121.06517	1.1
127.03934	1.6
128.06242	0.7
129.07022	0.9
129.10229	0.7
130.09627	0.6
132.10211	10.0
133.10126	0.6
135.11703	0.6
137.02342	3.4
139.03883	1.7
140.07065	1.1
143.11800	71.0
144.07967	0.5
145.04974	1.7
149.03503	0.5
153.01839	4.1
153.07013	0.6
165.01811	1.8
168.00513	1.2
169.00725	0.6
169.08698	0.7
171.11293	16.4
181.08560	1.0
183.02937	1.2
192.13794	1.0
199.07489	0.6
201.05412	1.4
210.14835	1.2
212.16484	0.7
226.08490	0.5
227.12711	0.6
229.04961	2.8
245.04410	0.6
246.04916	0.7
247.05946	0.6
257.04440	1.7
258.16971	1.2
266.17447	0.6
274.04514	1.1
284.18481	1.5
285.03870	1.0
287.05130	6.0
302.03949	3.0
302.07327	5.1
302.16580	0.8
302.19705	2.2
303.04996	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
56.05033	1.9
57.62899	0.6
66.61173	0.5
67.05502	2.6
68.99793	1.2
69.07067	7.9
70.06596	10.7
71.57847	0.7
71.58233	0.9
72.08164	1.8
74.06085	1.2
75.05602	15.8
79.05492	1.6
79.34092	0.7
81.07063	1.5
82.06570	1.1
84.04517	1.6
84.08135	4.4
85.02889	0.7
86.09708	100.0
87.04488	0.7
91.05479	1.0
93.03432	0.9
93.07047	0.7
95.04969	1.2
98.06065	1.3
98.09740	0.6
99.00819	0.9
104.10734	0.9
104.85355	0.6
105.07020	1.2
106.06572	0.7
107.04942	1.2
109.02859	0.7
109.10176	0.7
110.07172	0.7
112.07617	6.5
116.07092	1.0
119.08665	0.7
120.08083	1.0
120.98923	0.6
121.02864	1.2
127.03240	7.1
129.10237	3.1
130.06537	2.0
132.08109	0.8
132.10216	11.6
136.06177	1.7
137.02342	2.4
140.07062	1.9
143.11800	84.6
147.11803	0.7
148.46747	0.6
152.07109	0.8
153.01805	4.1
158.08153	1.1
158.09538	0.7
159.09113	1.0
162.05609	0.6
165.01874	0.9
168.00565	0.9
169.01025	0.6
169.08687	0.6
170.06042	0.9
171.11296	19.2
173.03813	14.6
183.02907	1.6
186.01656	1.5
187.01874	0.7
189.12358	1.4
201.05461	1.7
212.16531	1.0
227.06990	0.7
229.04910	3.9
238.18007	1.4
239.07135	0.6
256.09628	2.7
256.11920	1.2
256.19012	3.9
257.04361	1.4
258.16968	2.4
267.68134	0.7
274.04529	1.9
284.18347	0.7
285.03897	0.9
285.12357	2.4
286.04578	0.9
287.05063	9.0
302.03934	2.5
302.07401	8.3
302.10461	0.8
302.13818	0.7
302.19635	1.7
303.05005	36.7
303.08215	1.6
312.24481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
56.05033	1.9
57.62899	0.6
66.61173	0.5
67.05502	2.6
68.99793	1.2
69.07067	7.9
70.06596	10.7
71.57847	0.7
71.58233	0.9
72.08164	1.8
74.06085	1.2
75.05602	15.8
79.05492	1.6
79.34092	0.7
81.07063	1.5
82.06570	1.1
84.04517	1.6
84.08135	4.4
85.02889	0.7
86.09708	100.0
87.04488	0.7
91.05479	1.0
93.03432	0.9
93.07047	0.7
95.04969	1.2
98.06065	1.3
98.09740	0.6
99.00819	0.9
104.10734	0.9
104.85355	0.6
105.07020	1.2
106.06572	0.7
107.04942	1.2
109.02859	0.7
109.10176	0.7
110.07172	0.7
112.07617	6.5
116.07092	1.0
119.08665	0.7
120.08083	1.0
120.98923	0.6
121.02864	1.2
127.03240	7.1
129.10237	3.1
130.06537	2.0
132.08109	0.8
132.10216	11.6
136.06177	1.7
137.02342	2.4
140.07062	1.9
143.11800	84.6
147.11803	0.7
148.46747	0.6
152.07109	0.8
153.01805	4.1
158.08153	1.1
158.09538	0.7
159.09113	1.0
162.05609	0.6
165.01874	0.9
168.00565	0.9
169.01025	0.6
169.08687	0.6
170.06042	0.9
171.11296	19.2
173.03813	14.6
183.02907	1.6
186.01656	1.5
187.01874	0.7
189.12358	1.4
201.05461	1.7
212.16531	1.0
227.06990	0.7
229.04910	3.9
238.18007	1.4
239.07135	0.6
256.09628	2.7
256.11920	1.2
256.19012	3.9
257.04361	1.4
258.16968	2.4
267.68134	0.7
274.04529	1.9
284.18347	0.7
285.03897	0.9
285.12357	2.4
286.04578	0.9
287.05063	9.0
302.03934	2.5
302.07401	8.3
302.10461	0.8
302.13818	0.7
302.19635	1.7
303.05005	36.7
303.08215	1.6
312.24481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.8
55.01874	3.3
55.05510	1.3
56.05035	1.1
57.03436	4.0
61.02925	7.5
67.05499	2.8
68.99802	1.4
69.03432	13.1
69.07073	3.6
70.01639	1.5
70.02053	3.0
70.06595	12.5
71.04995	2.4
72.08165	1.3
72.34670	0.8
72.97802	0.7
73.02917	2.8
75.05618	1.2
78.93115	0.7
79.05484	2.9
79.18790	0.9
81.03418	6.5
81.07056	2.7
84.08157	3.6
85.02908	78.2
86.06084	0.8
86.09709	100.0
87.04469	1.7
91.03948	5.1
91.05490	2.1
93.07034	1.9
95.08597	1.9
95.22592	1.1
97.02892	19.9
99.04462	3.4
102.83641	0.8
103.03944	1.3
104.10779	1.0
105.07031	7.9
107.04990	1.1
107.08612	2.0
109.02879	7.9
111.04433	0.8
111.34991	0.9
112.07607	6.8
113.68486	0.8
121.02878	1.7
121.06489	1.2
121.10146	1.3
121.71677	0.7
127.03078	1.7
127.03930	22.5
129.10277	2.1
130.06529	1.8
132.08076	1.1
132.10213	11.1
137.02344	2.5
137.06068	1.0
140.07104	2.3
143.11801	69.2
145.04968	36.9
145.06169	1.7
147.08092	0.9
153.01813	4.1
154.06557	2.1
158.08195	1.0
163.06029	10.6
163.11143	1.9
165.01842	2.3
167.07191	0.9
168.00568	4.0
168.08142	1.2
169.00880	1.6
169.08626	3.7
170.06032	1.0
171.11293	16.3
173.06053	0.9
175.11011	1.0
180.08728	2.1
181.05176	0.9
181.12291	1.3
182.06003	2.0
183.02901	3.5
183.06644	0.8
185.05650	1.3
186.01645	2.4
187.02092	1.8
196.07655	1.1
201.05534	1.7
210.14795	1.4
214.08385	0.9
224.07193	1.1
227.12811	1.9
229.04938	3.7
238.14536	0.9
240.06413	1.0
242.08186	1.7
245.04295	1.0
257.04568	1.6
259.05649	1.5
268.04187	0.9
272.09592	1.0
274.04678	1.4
284.18634	1.6
285.13776	1.4
286.04721	2.5
287.05109	21.9
302.03958	3.0
302.07336	21.3
302.13483	1.5
302.16736	1.8
302.19666	1.9
303.05023	35.7
303.08243	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01871	6.6
55.05495	2.6
57.03434	2.6
61.02922	3.5
61.16756	1.3
61.63582	1.3
64.89210	1.3
66.95891	1.1
67.05495	5.9
68.86494	1.3
68.99788	3.5
69.03432	3.0
69.07056	2.4
69.33740	13.1
70.06594	54.2
71.01348	1.6
71.04992	2.5
72.08158	2.4
73.02920	2.6
79.05500	3.6
81.03407	2.7
81.07043	3.7
83.04961	1.8
84.04493	3.6
84.08130	5.1
85.02908	2.5
86.09705	4.7
88.04005	1.5
88.07660	1.4
91.05500	2.7
92.05799	1.8
93.07049	3.2
94.07418	1.5
95.04956	2.3
95.08600	2.8
96.04460	1.6
97.02886	2.3
98.20930	5.9
99.04440	4.1
101.21664	1.3
103.03976	1.1
105.07041	1.9
107.04947	1.8
107.08636	2.0
109.02868	2.9
109.10175	1.2
111.00806	2.8
112.07613	33.5
113.02399	1.5
115.05447	3.3
117.05757	3.0
118.06564	3.1
119.08577	2.2
121.02861	3.4
121.10186	1.4
125.02351	3.0
128.06236	1.7
129.07016	15.1
129.10258	2.6
130.06537	31.8
131.03418	8.6
137.02315	6.0
139.05446	2.1
140.05064	1.6
140.07047	9.0
141.07036	2.4
142.06560	7.8
143.03418	2.0
144.04443	3.2
144.08084	3.9
145.06413	2.3
146.06004	6.6
146.10481	1.5
147.08046	1.9
153.01831	10.2
153.05727	2.2
154.06522	100.0
154.42007	1.3
155.04953	1.5
155.07268	10.5
156.04417	1.6
156.08093	32.3
158.06044	2.1
158.08104	4.2
164.11348	1.5
165.01862	3.6
166.06534	14.2
167.07307	21.3
168.00543	4.3
168.04350	1.6
168.08095	63.3
169.00926	3.0
169.05104	1.4
169.08701	1.6
170.06027	31.9
171.02922	1.6
172.03940	8.1
172.07555	2.8
173.05908	1.9
174.05492	2.1
178.06537	3.6
180.08090	6.7
181.05215	18.3
182.06021	99.5
183.02863	3.2
183.06715	5.0
184.07579	39.1
186.01649	2.6
186.09152	3.3
187.01889	2.5
191.10637	1.4
194.04353	2.7
194.06013	35.3
195.06760	4.9
196.07582	58.5
197.08371	2.1
198.05508	41.0
198.09164	1.7
199.06285	4.1
200.07101	2.8
201.05544	3.5
202.08635	2.1
206.06131	3.9
207.06705	1.4
208.03923	1.4
210.05528	5.9
210.09244	1.5
210.12056	4.2
211.06302	2.9
212.07079	37.9
212.08885	1.4
214.05003	4.2
214.08621	27.9
216.06607	4.0
218.05353	1.7
222.05518	33.5
224.07068	66.3
226.05005	6.3
226.08665	5.6
228.06508	3.1
229.04984	6.9
230.08124	4.2
234.05476	3.6
238.08623	2.5
240.06543	35.6
242.08116	65.9
243.16019	3.8
252.06584	22.2
254.08142	32.7
256.09619	4.0
257.04517	4.7
266.08112	5.0
270.07626	27.1
272.09177	13.4
274.04474	2.3
274.10754	1.7
284.09183	18.1
284.15619	3.4
285.03909	3.3
285.11905	2.4
286.04715	2.0
287.05032	30.7
302.03793	4.4
302.07300	25.8
302.10263	33.5
302.17166	5.7
302.22968	3.5
302.30423	2.0
303.04990	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03987	2.0
55.01915	5.2
55.05505	4.0
57.03438	9.3
57.07141	0.8
60.97346	0.8
65.03979	1.1
67.05502	16.5
67.41263	0.7
68.99833	1.4
69.07064	3.6
70.87971	1.7
71.05043	2.1
79.05495	19.0
81.03475	3.0
81.07059	14.6
83.04982	8.5
83.08685	1.4
84.08182	1.1
85.06587	2.6
86.09756	2.4
87.06535	0.7
91.05494	10.1
93.07049	14.9
95.04964	5.6
95.08592	7.2
97.02937	1.0
97.06505	4.3
99.00862	1.6
99.04505	1.5
101.02371	0.9
105.07027	4.4
107.04963	11.8
107.08595	8.9
109.06583	0.9
109.10233	2.9
111.04440	11.0
111.08154	2.5
112.01646	1.6
117.07013	4.4
119.04948	1.8
119.08597	4.4
121.02877	4.4
121.06559	1.1
121.10145	17.4
123.04456	0.8
125.06005	1.2
127.00346	1.7
129.07069	2.4
130.06532	30.8
131.04979	1.6
131.08560	4.4
132.08153	0.7
133.10188	0.8
135.08113	1.5
135.11696	12.1
140.01115	1.1
145.06569	3.0
145.10132	13.6
147.08101	2.1
147.11832	0.8
149.09624	3.5
153.12721	4.3
155.08615	2.7
163.11191	17.6
163.12514	1.1
168.00557	23.4
168.01964	1.4
169.01424	0.9
170.06023	1.8
173.09627	9.9
173.11871	0.9
181.12199	7.1
184.07603	0.8
186.01591	12.3
191.10692	8.5
209.11765	11.4
217.04993	1.1
227.12796	6.5
245.04608	0.9
255.06602	1.0
258.05298	2.2
265.14355	0.7
273.03897	0.9
283.15393	5.5
285.03894	1.2
286.04727	100.0
287.05069	2.0
301.03888	3.4
301.07059	91.9
301.16455	16.7
302.07358	3.1
319.13910	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03991	2.0
55.01923	5.6
55.05564	4.9
55.40904	0.6
57.03488	11.9
59.02494	0.8
67.05505	21.6
68.99821	1.1
69.03465	0.8
69.07064	3.9
70.06637	1.5
71.05057	3.0
71.28060	1.2
73.02952	0.7
74.82553	0.6
79.05494	22.6
81.03420	3.8
81.06609	1.0
81.07049	15.9
83.04982	11.4
83.08688	2.7
84.08194	0.7
85.02940	1.3
85.06597	2.6
86.09745	1.0
89.31166	0.7
91.05476	11.5
92.83224	0.8
93.07047	20.2
95.04976	6.3
95.08612	6.5
97.02952	2.0
97.06532	6.0
97.10246	1.0
99.00935	1.0
99.04524	2.5
105.07030	4.8
105.37067	0.8
107.04955	12.8
107.08605	8.9
109.02976	0.7
109.06583	2.2
109.10159	3.7
111.04442	12.7
111.08152	2.6
112.01665	1.0
115.04053	0.8
117.07029	5.0
119.05017	2.0
119.08582	7.7
121.02860	4.8
121.06591	2.8
121.10136	18.1
121.36652	0.7
123.08151	1.9
125.06031	1.3
127.00353	3.1
129.07071	2.2
131.05035	0.8
131.08572	4.6
133.10165	1.4
135.08105	0.9
135.11694	12.8
139.11244	2.3
140.01117	1.1
145.06544	2.4
145.10127	16.9
147.08099	1.5
149.09660	2.2
149.52267	0.7
153.12724	5.3
155.08606	3.0
158.07364	0.7
163.11189	19.3
163.12491	1.4
167.10735	0.7
168.00546	23.5
173.09622	10.7
173.11813	0.9
181.12209	10.2
186.01598	13.8
191.10658	10.5
191.12302	0.9
203.12810	1.0
209.11737	16.1
209.13622	1.0
217.05029	2.8
226.65918	0.8
227.12782	6.2
234.73167	0.8
241.14236	1.4
245.04529	2.3
255.12479	1.1
258.05289	1.9
261.99609	0.7
265.14505	1.5
273.03967	2.4
283.15402	6.9
286.04715	100.0
287.05118	2.6
301.07040	95.1
301.16431	26.1
302.07336	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.05500	2.5
55.36947	0.9
56.05846	0.9
57.03428	2.3
67.05501	6.4
68.99804	1.3
69.03410	1.0
69.07056	2.0
70.06583	2.0
70.10947	3.8
71.04983	1.9
72.08143	1.1
79.05495	7.5
81.07058	6.6
83.04967	1.2
83.08605	2.3
84.02151	0.9
84.04482	0.9
86.09715	1.2
91.05478	4.4
93.07048	9.9
95.04962	2.4
95.08612	10.7
96.08918	1.2
97.02906	1.7
97.06557	1.7
98.21172	1.7
99.00811	1.3
105.07010	3.6
107.08606	6.2
109.10156	2.6
112.01623	1.1
117.07014	1.1
118.06517	0.9
119.08574	2.9
121.02849	3.3
121.06512	1.6
121.10129	2.3
122.39831	0.8
127.00282	2.1
129.10167	0.8
130.06525	3.7
131.08611	1.0
133.10129	2.3
135.11696	8.2
139.03871	1.0
140.01038	1.4
140.04324	0.8
145.10100	5.4
154.99846	0.8
157.10106	1.0
160.05202	0.8
163.11180	9.9
164.65898	0.8
166.03191	1.7
168.00548	19.5
168.04712	0.8
169.01357	1.1
173.09586	1.1
181.12193	3.2
186.01590	15.6
212.04610	0.9
213.09302	0.8
217.05049	1.6
227.12788	21.8
255.11528	1.2
258.05267	1.7
269.05890	1.6
272.07901	1.2
273.03998	1.8
281.28537	0.9
283.15414	8.9
283.20435	1.0
285.03815	1.1
286.04718	100.0
287.05078	3.0
301.03918	3.3
301.07050	92.7
301.16580	3.1
301.21600	2.3
302.07431	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	301.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	100.0
58.96988	0.4
65.84563	0.5
67.99984	0.4
69.07069	2.0
69.89250	2.2
69.89546	0.8
70.06597	0.7
70.98138	0.7
71.95267	2.9
72.96049	7.5
74.97585	2.2
81.04536	0.7
82.22132	0.4
83.97636	9.4
84.08149	0.6
84.96030	3.9
86.09705	17.9
86.84069	0.4
87.10050	0.5
87.22883	0.4
88.99192	0.6
97.99194	1.6
98.20743	0.5
98.21292	1.0
98.97592	2.7
101.98686	1.5
109.99171	0.9
110.97558	0.7
114.02333	0.5
116.00246	0.8
116.98620	0.7
122.07170	0.6
124.00735	2.0
126.02296	4.0
127.00677	0.8
128.00201	1.0
128.98587	1.5
129.02237	1.9
130.93341	1.3
132.10199	3.7
138.02312	1.1
140.03830	8.7
140.08209	1.5
140.52261	0.5
142.01776	1.7
142.05391	10.3
144.03340	2.8
145.01733	1.0
146.99640	0.8
147.03271	1.5
149.52792	1.0
153.02188	0.5
156.03323	1.0
158.04895	15.5
158.92801	1.0
160.06459	21.5
161.04880	1.2
170.04872	8.7
171.03326	1.8
172.06480	0.7
176.05940	5.2
176.93875	0.6
178.07512	4.5
187.00331	0.5
188.05937	17.5
189.04361	14.6
197.06451	2.9
206.07004	42.1
207.05424	8.7
207.07306	0.4
209.10350	0.9
223.01326	0.5
223.09686	1.1
224.08055	50.3
225.08479	0.7
229.08638	0.7
242.09053	0.9
246.03253	0.7
253.60748	1.4
269.06873	1.5
273.14978	1.0
283.13333	0.6
284.11752	1.3
286.04715	1.1
287.07721	2.1
291.15942	0.7
301.06900	0.9
301.14313	15.4
302.12787	4.3
319.15399	81.9
320.15726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0342
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
55.01879	1.1
57.03396	0.6
65.03932	2.1
67.01856	1.0
67.05486	1.7
68.99431	0.7
68.99786	9.2
70.06571	2.1
71.17201	1.0
71.90650	0.5
72.08134	1.3
75.94530	0.6
79.05472	1.7
81.03395	1.7
81.07034	0.9
84.08137	2.0
86.09695	2.7
87.04431	0.6
91.05464	2.1
93.03386	0.6
93.07011	0.8
103.05439	1.6
105.03383	0.6
105.07011	3.2
107.04950	0.7
109.02869	1.8
111.00813	0.9
115.05430	3.2
117.06991	0.8
119.04919	0.9
121.02853	2.6
121.06503	3.3
124.23367	0.6
126.97099	0.6
129.10225	2.1
133.06454	2.3
137.02330	2.3
147.04385	4.3
149.05986	0.8
153.01826	3.3
159.09171	0.8
161.02423	0.7
161.06015	4.1
168.00533	7.0
171.04396	4.7
173.05945	0.7
174.45932	0.5
175.03886	1.9
177.05420	1.2
181.12044	0.6
186.01604	4.8
189.05467	10.5
193.01399	1.2
199.03893	1.8
200.04662	1.0
201.22069	0.5
203.03340	4.6
209.11789	1.1
212.07343	1.7
213.03357	0.7
213.96858	0.5
216.04134	0.8
217.04961	49.6
218.05331	0.6
227.03378	1.9
231.02843	1.6
245.04443	41.0
255.02838	1.6
258.05246	0.9
273.03928	50.9
286.04709	35.5
300.75281	0.6
301.03384	100.0
301.07034	36.6
302.03729	1.6
314.57349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28996	2.2
55.05504	4.7
56.05037	2.4
56.87030	2.0
57.03441	3.9
58.06594	2.3
63.24863	2.3
67.05495	7.3
69.07064	33.4
70.06584	3.3
70.19936	10.2
71.05013	2.6
72.08147	3.1
79.05489	13.8
80.14563	2.4
81.07055	13.5
83.08601	3.2
91.05481	11.8
93.07030	8.2
95.04948	3.1
95.08601	10.4
97.06532	6.5
98.09686	8.8
98.21010	5.0
105.07032	5.3
107.04946	3.9
107.08584	8.2
109.06552	3.5
109.10149	4.3
119.08588	4.7
121.02868	4.0
121.10141	4.1
127.00340	2.5
131.08553	3.3
133.10110	4.5
135.08034	3.5
136.06149	5.4
143.07037	14.4
145.10033	4.9
149.09625	4.8
153.09138	2.7
156.08421	2.9
159.11679	3.3
161.08080	10.5
167.10738	3.1
168.00551	18.9
186.01605	13.2
201.16400	4.3
243.86435	2.2
247.16959	7.9
286.04718	100.0
300.23254	5.2
301.07065	98.8
322.41660	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	300.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12214	1.4
53.03938	1.8
55.01890	3.4
55.05509	5.9
57.07108	1.4
64.47508	1.3
66.50720	1.3
67.05507	7.1
69.07069	88.5
69.94155	2.5
69.94509	6.2
73.06553	14.3
79.05489	25.0
81.03407	4.8
81.07062	8.1
83.20701	1.4
85.02920	1.7
88.05180	1.2
91.05479	7.9
93.07034	5.4
95.08613	5.9
97.06538	25.2
98.20665	1.5
105.07030	8.0
107.08595	42.7
115.07562	8.4
119.04967	2.2
119.08586	5.5
121.02875	5.1
121.10123	1.8
123.11673	2.9
125.05991	7.7
131.08588	6.7
133.10153	5.9
135.11714	2.2
143.07039	78.8
145.10097	9.4
147.08138	1.8
147.11693	2.9
149.02364	5.8
149.09616	4.0
157.10071	1.9
159.11711	2.7
161.08109	39.4
165.09108	1.4
168.00545	24.8
168.01952	1.9
169.10149	2.6
171.10185	1.9
185.13388	1.6
186.01630	15.1
201.16429	13.2
211.14792	4.4
229.15904	7.8
233.33957	1.6
247.16933	29.3
258.05255	3.2
265.17776	2.6
285.03992	2.0
286.04718	100.0
300.05756	8.9
301.07050	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
55.05518	0.7
55.35637	0.5
56.05038	0.5
57.03427	1.5
57.05453	0.4
60.04529	1.0
60.05642	0.6
60.23555	0.5
67.05525	0.6
68.04989	0.7
69.07066	0.7
70.06590	100.0
70.77098	1.2
71.06902	0.6
72.08158	4.8
74.09705	1.4
79.05511	0.5
84.04511	2.0
84.08141	3.0
85.02914	1.9
86.09704	32.9
88.03989	1.1
90.05566	1.0
91.05483	1.2
92.05054	0.5
93.07030	0.7
95.06174	0.4
95.08609	0.5
97.02909	0.6
98.21323	0.7
102.05616	0.5
108.08192	0.5
109.07671	0.7
110.06062	0.9
110.07172	0.7
112.07575	0.6
112.08733	0.5
116.07088	42.9
119.04955	3.2
119.08581	1.7
120.04475	3.9
121.02892	0.8
129.10242	1.0
130.05075	0.7
131.04897	0.7
132.04472	0.8
132.10211	1.7
135.72845	0.5
136.06146	2.5
138.05525	2.8
138.09145	1.2
141.10229	12.5
147.04399	8.1
147.05481	0.7
147.11691	0.8
156.10251	0.5
157.13354	14.5
159.11426	0.5
162.05428	0.5
168.00581	2.2
169.03171	0.6
169.09727	13.7
169.11151	0.9
170.06003	0.5
173.12909	1.7
175.11847	1.4
179.05591	0.7
179.06996	3.1
184.09666	1.0
185.09238	0.9
185.12875	4.1
186.01613	1.6
187.10799	0.9
197.06680	0.6
198.05457	1.0
201.05389	0.5
201.12422	0.6
203.13930	2.1
205.03430	0.8
211.04350	1.2
223.04469	1.1
229.15572	1.9
241.05659	1.5
242.66580	0.9
247.65736	0.6
259.04428	1.0
277.05704	1.4
282.16876	2.3
286.04678	9.9
286.07608	0.6
288.20297	0.6
295.06747	1.4
300.09311	0.5
300.13919	0.7
300.18753	5.8
301.06970	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	300.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71176	2.1
55.01884	2.6
55.05510	16.6
55.97334	2.3
57.03427	3.1
57.77837	2.8
58.99583	12.4
65.03947	3.9
67.05504	79.8
69.03427	3.5
69.07059	10.0
70.02946	2.9
71.04985	3.1
71.36579	3.9
72.08156	4.1
72.29197	2.5
76.02216	9.6
79.05492	11.1
81.03433	3.6
81.07056	62.2
85.01124	3.8
86.00649	10.2
86.99039	3.8
87.02699	5.9
91.05488	10.5
93.07034	11.7
95.04951	7.9
95.08605	100.0
105.00067	8.2
105.07018	9.6
107.08569	5.9
109.06510	6.7
109.10158	68.6
113.04167	3.1
117.06982	3.2
119.08572	16.0
121.10133	3.4
122.02711	47.5
123.08031	5.5
132.01134	18.7
133.10133	4.1
135.11668	5.1
137.09621	7.2
146.06026	3.4
151.14821	58.0
159.04781	12.1
161.13255	9.7
164.17804	2.4
168.00569	6.7
169.06592	2.4
179.14310	37.2
186.01616	4.7
202.08989	32.2
286.04739	32.0
300.05838	23.3
300.12451	9.7
301.07062	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	299.2004
Annotation	Angustanoic acid E
Peak:m/z	Relative Intensity
52.90024	0.6
53.03952	0.7
55.01863	1.0
55.05495	2.5
55.85054	0.7
57.07058	1.9
61.01156	0.9
67.05501	3.9
69.03423	2.3
69.07050	3.8
69.84124	3.5
69.84528	1.9
71.58896	0.8
79.05496	4.1
81.07050	3.8
83.04983	2.3
83.08599	3.3
85.06515	1.1
91.05475	27.4
93.07037	6.7
95.04978	1.6
95.08611	7.2
97.06545	0.8
98.21008	2.3
103.05473	1.2
105.06380	1.2
105.07038	16.4
107.08598	9.2
109.06503	2.2
109.10140	1.8
115.05460	2.7
116.06232	7.8
117.07006	2.3
119.04946	7.3
119.08585	15.2
121.02834	0.9
121.06515	1.5
121.10168	7.2
123.08055	2.3
123.11682	1.0
125.09651	3.8
129.07004	8.0
131.08566	40.3
133.06514	1.7
133.10094	4.1
135.08031	1.7
136.06172	4.2
137.06546	1.4
141.06993	1.0
142.07771	3.0
143.08566	3.1
145.06468	1.7
145.10123	4.1
146.07230	0.9
147.08046	1.0
147.11661	1.5
149.09608	5.2
155.08514	2.1
156.09375	3.3
157.10124	6.0
159.08052	100.0
159.11595	1.7
161.09596	3.4
161.13245	2.2
163.11201	0.9
167.08578	0.9
167.10608	0.9
169.10141	2.9
171.08018	0.8
171.11684	5.4
173.09688	1.5
173.13240	1.6
174.10301	0.9
175.11133	1.3
176.11978	1.4
181.10144	1.1
182.10875	1.1
183.11705	3.2
185.13182	1.1
187.11247	1.8
189.12758	3.9
193.10211	1.2
195.11716	1.5
197.13225	5.0
199.11137	4.2
199.14853	1.3
201.12758	2.6
203.14252	0.8
207.11705	2.6
209.13225	1.0
210.10362	1.0
211.11137	2.0
211.14835	1.7
213.12724	1.7
215.14458	1.3
221.13271	2.3
223.14821	2.0
225.12669	4.2
225.16312	1.2
233.13280	1.1
235.14873	1.0
236.39932	0.9
237.16417	1.2
238.13556	1.0
239.14267	1.6
243.13785	2.7
251.14197	1.3
253.19485	1.6
255.21196	1.2
257.19012	3.3
263.18063	4.5
273.08038	1.4
277.80234	0.9
281.12671	1.0
281.18985	19.4
284.11569	0.8
299.05542	5.9
299.09091	1.8
299.14340	1.7
299.20050	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03937	2.1
55.05503	9.1
57.07055	4.8
65.03903	1.8
67.05501	12.2
69.03407	5.6
69.07053	5.6
69.71417	10.5
71.04967	3.5
79.05486	10.7
81.07054	12.7
83.04958	5.1
83.08631	8.7
85.06522	3.2
91.05474	16.7
93.07055	16.3
93.78989	1.5
95.04963	31.2
95.08616	12.1
97.06515	5.6
98.20891	4.4
98.21473	3.4
105.06393	1.8
105.07034	22.7
106.07494	1.7
107.08598	22.7
109.06513	18.2
109.10165	11.3
111.08084	4.6
113.09670	4.6
117.07009	7.1
119.08581	48.0
121.06490	6.2
121.10141	10.9
123.08060	2.5
123.11665	1.8
125.09623	2.5
128.06223	3.9
129.06941	4.2
130.07770	4.8
131.08568	14.1
133.10129	14.4
135.08049	11.8
135.11702	4.2
136.06111	3.4
137.06606	3.3
137.09604	6.9
141.06979	2.6
142.07718	5.6
143.08563	18.7
145.06444	2.5
145.10121	46.2
147.08028	3.5
147.11719	2.7
149.09627	5.0
151.07567	2.7
153.07071	2.0
155.08569	10.7
156.09341	6.7
157.10120	16.4
158.07292	8.0
159.08055	4.9
159.11697	9.6
161.08443	1.7
161.09593	10.1
161.13206	2.9
163.11218	7.9
167.08511	2.4
168.09271	2.6
169.10130	7.2
170.10901	1.8
171.11713	12.0
173.09647	16.6
173.13237	9.6
180.09398	2.2
181.10107	3.9
182.10886	4.3
183.11670	8.6
185.09552	2.9
185.13257	6.3
186.10310	1.8
187.11157	5.8
187.14856	2.6
189.12718	8.0
191.14294	2.0
193.10161	4.2
195.11708	7.5
197.09560	2.4
197.13249	12.3
198.13882	1.9
199.11180	5.8
199.14850	9.9
201.12778	6.1
207.11731	3.9
208.12503	2.5
209.13345	2.4
211.11134	4.0
211.14836	5.3
212.82996	1.7
213.12749	6.0
213.16396	5.0
215.14343	6.2
221.13409	2.1
223.14761	8.7
225.12820	8.7
233.13147	2.7
239.14336	2.8
239.17920	3.5
241.15808	10.2
243.13831	7.3
253.19531	3.9
257.19034	14.5
263.17883	3.2
266.16617	2.6
267.93289	1.8
271.20612	2.5
281.18994	16.6
299.05743	2.7
299.20065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1853
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
53.03937	4.1
55.01869	5.1
55.05502	7.1
57.03431	7.1
67.05500	28.5
69.03426	7.3
69.07064	100.0
70.71592	4.6
70.71951	3.7
71.04967	3.2
73.06563	11.8
79.05492	40.6
81.03408	13.0
81.07059	25.3
83.04549	2.2
83.04985	12.8
83.08596	3.2
89.32840	1.8
91.05476	24.5
93.07043	40.2
93.74495	1.8
95.04966	33.0
95.08603	50.1
97.06525	32.9
105.07041	19.7
107.04932	3.4
107.08598	11.1
109.06493	5.4
109.10151	7.4
112.61436	2.2
115.07535	5.8
117.07011	7.8
119.08582	20.4
121.06509	2.9
121.10147	28.4
123.08062	80.1
125.05959	14.4
125.09617	3.5
129.06996	7.6
131.08531	12.0
133.10123	14.6
135.08032	6.0
135.11665	3.7
136.06171	1.9
137.09586	12.0
139.11168	6.0
141.09087	6.3
142.07713	2.0
143.07027	67.3
143.08543	9.9
145.10124	7.7
147.08012	12.0
147.11678	7.8
149.09619	8.0
151.11160	3.2
153.09029	2.9
157.10114	9.0
159.11684	12.8
161.08092	16.9
161.09592	6.6
165.09128	24.5
171.11696	7.6
172.43654	2.0
172.97279	1.9
173.13295	6.7
175.11208	3.7
175.14818	16.0
177.09106	2.7
183.10136	7.5
185.09503	2.2
185.13281	2.3
187.11278	2.4
189.12686	9.2
189.16425	5.4
191.10565	2.7
199.14809	24.7
203.14317	2.7
207.13788	2.1
217.15874	50.1
219.13733	2.2
221.15257	3.9
227.14288	12.8
245.15363	42.1
263.16422	34.2
281.17413	19.3
299.05563	8.9
299.18597	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	299.055
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.01868	2.1
55.05510	0.3
62.76635	0.2
64.20055	0.2
65.03938	2.0
67.05492	0.2
68.99802	0.9
69.03406	0.2
69.07070	0.4
70.76517	0.6
73.19501	0.2
79.01883	0.3
79.05515	0.2
81.03403	0.6
81.07063	0.3
83.08609	0.2
86.09708	0.2
91.05479	0.3
92.99794	0.3
93.03418	0.3
93.07018	0.2
95.08604	0.3
97.02892	0.3
99.00807	0.5
105.03381	0.3
105.07028	0.6
107.01311	0.6
107.04972	0.3
107.08615	0.3
111.04425	1.2
115.05460	0.3
117.07034	0.4
118.06539	0.3
119.04944	0.4
121.02866	31.5
121.03891	1.5
128.06123	0.2
130.06493	0.4
131.08617	0.3
133.06519	0.9
133.10124	0.4
136.06218	0.5
137.02348	1.0
137.06537	0.2
139.04004	0.2
140.10721	0.3
141.01849	1.1
141.06946	0.9
145.06488	0.6
147.04413	4.2
147.05507	0.3
149.02332	0.5
155.03349	0.2
157.06444	0.3
158.25272	0.2
159.08009	0.3
163.24120	0.2
165.01836	12.7
169.06470	2.1
171.04385	0.6
172.80365	0.2
173.05983	2.4
177.01888	0.3
179.03415	0.2
179.08640	0.2
183.02905	5.8
183.04333	0.2
187.07550	0.4
196.05234	0.2
197.05986	3.0
201.05415	1.7
213.05365	0.2
215.07094	0.4
221.90875	0.2
225.05501	1.1
229.04932	2.4
243.06516	4.5
251.03467	0.2
253.04982	0.3
271.06070	1.9
290.98386	0.2
299.05493	100.0
300.05762	1.3
310.78323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
55.05497	1.4
57.03428	0.7
57.07074	0.6
65.03940	0.8
67.05490	2.1
68.99787	1.1
69.03413	0.6
69.07049	1.7
70.15105	1.1
70.15490	0.9
71.04985	0.7
71.08635	0.5
72.08112	0.7
79.05480	1.4
81.03403	1.0
81.07046	2.1
83.04987	0.6
83.08606	0.8
84.04498	0.7
86.09694	0.7
91.05463	1.6
93.07038	1.5
95.04943	1.2
95.08591	1.9
97.02861	0.5
97.06509	0.7
98.20980	1.1
105.03355	0.6
105.07005	1.9
107.04961	0.6
107.08567	1.0
108.66770	0.4
109.06481	0.7
109.10175	0.9
110.07137	0.7
111.04417	1.0
111.36926	0.5
115.98020	0.4
119.08546	1.4
120.08086	0.6
121.02866	20.1
121.03883	0.9
121.04065	0.8
121.10126	1.3
123.00803	0.5
127.30956	0.5
131.08577	1.3
133.06485	0.6
133.10135	1.3
135.04420	0.7
136.06177	2.8
137.02330	1.8
137.06537	1.6
137.09569	0.5
141.01828	9.1
141.06943	0.6
147.04413	3.8
147.08028	0.9
147.11617	0.7
147.21422	0.5
149.02303	0.8
161.09676	0.6
165.01839	4.7
169.06529	1.1
171.04431	0.7
173.05919	0.7
183.02910	4.6
197.05957	2.7
201.05421	1.2
215.07083	0.6
215.57530	0.5
222.29372	0.5
225.05505	1.9
229.04985	0.7
243.06459	2.6
267.15897	1.9
271.05991	1.4
271.13464	0.6
299.05499	100.0
299.20123	1.6
300.05844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.7
55.05502	3.9
56.05016	2.2
57.03440	14.9
58.03226	1.4
61.01139	3.9
61.02922	2.9
65.03926	3.2
67.05516	10.1
69.03429	3.8
69.06783	1.8
69.07079	18.3
69.53872	3.5
69.54280	8.7
70.06588	4.9
72.04147	3.2
72.04517	41.4
72.08160	3.8
73.02917	14.5
75.02695	1.9
77.03931	1.5
79.05503	13.6
81.07055	19.2
83.05009	2.5
84.04519	8.5
84.08139	4.1
85.02898	15.7
86.09705	3.4
88.61482	1.5
91.05479	16.1
93.07043	15.2
95.04965	17.7
95.08604	3.8
96.33942	1.6
97.02897	2.1
97.06527	4.6
99.04454	1.6
101.02379	2.0
103.05442	3.0
104.63619	1.6
105.07019	4.2
107.04962	9.0
107.08590	5.6
108.08095	2.7
109.06526	13.2
110.07141	2.9
111.04433	5.9
111.08080	4.8
112.03972	2.3
113.02421	1.8
114.05539	3.4
115.05382	2.1
117.07008	7.2
118.06501	2.2
119.04956	13.1
119.07313	3.1
120.08098	2.7
121.06492	6.2
123.04426	20.6
123.08096	3.9
127.07561	1.9
128.03430	8.5
130.04982	2.0
134.09653	45.1
135.08067	12.3
136.06195	78.6
137.05994	4.8
139.07553	11.4
140.03375	3.0
140.10695	4.9
142.12256	3.8
145.06503	3.0
147.04375	9.4
147.08049	1.8
153.09084	2.3
154.04968	3.8
156.10179	1.9
159.09111	2.0
160.68343	1.6
162.05460	1.6
163.07574	9.9
165.05493	7.2
165.09084	3.8
166.04924	2.2
170.04512	2.7
170.11714	2.1
172.06070	3.3
180.10277	2.2
181.08600	66.1
182.08150	5.0
184.06013	4.3
194.08101	2.2
197.49348	1.9
199.09663	91.6
208.09698	3.7
226.10751	100.0
280.11838	4.7
298.14059	16.4
298.19986	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0969
Annotation	5'-Methylthioadenosine
Peak:m/z	Relative Intensity
56.96570	3.9
57.03445	0.3
61.01151	5.8
61.02919	0.2
67.05512	0.3
69.03412	0.3
69.07045	0.3
70.06608	1.3
71.56995	0.3
71.95243	0.4
72.08160	0.5
72.15335	0.2
75.02705	2.6
77.31512	0.2
81.03416	0.2
84.04517	0.5
84.08155	1.6
85.02901	0.3
86.09708	0.5
87.02699	0.3
88.93730	0.2
93.10680	0.2
94.04040	0.6
97.02909	1.5
98.97584	5.6
103.02122	0.3
110.07156	0.7
110.97625	0.3
112.07627	0.3
112.11314	0.2
116.98624	4.3
118.51701	0.3
119.01872	0.5
119.03556	0.6
119.91956	0.2
120.08117	0.3
128.98662	0.5
129.10281	0.4
133.07623	0.2
134.99669	3.2
136.06189	100.0
137.04570	0.6
137.06651	0.3
139.00259	0.2
139.08588	0.3
140.50201	0.2
143.05510	0.3
144.04773	0.6
145.03177	1.6
146.99689	0.6
147.04335	0.6
152.05685	0.6
152.06888	0.2
153.00739	0.4
163.04074	1.6
164.04240	0.2
165.08978	0.3
166.07260	3.7
166.09683	0.4
167.05743	0.2
168.48575	0.2
174.04381	0.3
176.41187	0.2
177.00790	0.3
177.06470	0.4
178.07277	2.7
178.09727	0.5
185.09230	0.4
186.04419	0.3
189.00478	0.3
190.95412	0.5
193.10924	0.9
200.00539	1.3
203.00491	1.1
208.96107	0.3
218.01608	0.9
219.01541	0.3
221.01411	0.4
221.03070	3.7
222.03204	0.3
232.96359	0.5
233.01447	0.3
239.04031	0.4
239.11449	1.2
244.04605	0.4
245.01442	0.4
250.97348	0.5
251.02678	0.7
256.96484	0.9
263.02643	0.8
266.08771	1.7
274.97394	5.3
275.03992	1.5
288.99316	0.3
290.04575	0.2
292.98520	3.9
293.05402	0.5
298.09552	1.9
298.11685	2.1
298.18500	0.8
300.06192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0972
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
54.75471	0.1
61.01152	5.0
61.28900	0.1
69.03422	0.3
70.21822	0.5
75.02311	0.2
75.02705	2.7
87.16090	0.2
90.65548	0.1
94.04034	0.3
97.02897	1.3
103.02165	0.4
119.03544	0.9
119.08448	0.2
136.06187	100.0
137.04588	0.5
137.05600	0.2
137.06552	0.4
140.94975	0.1
145.03180	1.6
147.04434	1.1
163.04247	1.3
254.13936	0.2
293.20480	0.1
298.09698	3.4
298.16571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41534	1.4
50.44969	1.2
52.20045	1.3
53.25968	1.3
63.33620	1.3
71.16226	2.1
73.22919	1.5
78.87951	1.2
81.07066	1.7
91.05492	10.9
94.37838	1.3
116.24693	1.2
119.04948	29.4
126.03342	1.3
127.07401	1.5
128.00932	1.3
136.06203	14.1
147.04411	100.0
153.24724	1.2
247.69266	1.2
275.04083	1.6
298.12985	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	298.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
60.04525	2.5
61.01143	4.3
70.06599	6.7
70.61590	3.5
72.08156	5.5
75.02725	2.8
81.07051	1.8
84.04530	2.8
84.08136	3.8
86.09699	7.3
91.05477	12.4
93.07027	1.6
98.06049	1.3
108.08123	1.4
110.07162	3.2
119.04951	25.2
119.08541	2.8
136.06198	100.0
137.04558	1.2
145.03230	2.6
147.04419	99.9
152.07031	1.2
156.07686	1.7
163.04279	1.7
164.04193	1.9
164.07086	1.9
168.06613	1.8
172.62360	1.1
192.13837	1.4
206.11729	2.2
208.08472	1.8
224.12756	3.7
232.99963	1.2
236.07823	1.8
239.11348	2.3
254.13896	13.6
280.06552	1.4
298.09814	2.5
298.13269	2.5
298.16464	15.8
298.19809	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	9.6
61.17020	1.0
69.95798	5.1
70.95863	1.7
71.95264	2.3
74.01048	0.9
85.00397	0.9
98.21001	2.6
98.97585	100.0
116.98626	56.9
119.01900	2.9
130.93254	1.9
134.99658	19.0
142.03545	1.4
142.61615	1.0
153.00691	1.5
172.94356	3.8
177.00919	2.3
190.95355	4.3
208.96255	1.9
214.95296	1.6
217.98735	1.4
219.02007	6.8
232.96404	6.9
235.99907	2.8
250.97440	4.3
256.96426	13.2
261.03061	7.1
272.94522	1.2
273.94577	1.8
274.97482	80.3
275.04190	2.2
291.95728	1.0
292.98544	50.9
297.99026	1.8
298.18417	1.3
298.97815	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2786
Annotation	17-Methyl-6Z-octadecenoic acid
Peak:m/z	Relative Intensity
53.03942	1.4
55.01858	1.5
55.05256	1.3
55.05513	20.2
56.96521	0.5
57.03434	1.2
57.07077	7.9
59.05004	6.1
67.05505	13.7
69.03420	1.9
69.07070	100.0
69.57240	2.6
69.57655	1.3
70.07433	0.7
71.04990	1.3
71.08629	2.5
79.05495	5.7
81.07058	30.4
83.04984	1.1
83.08620	20.1
85.06538	4.2
85.10189	0.7
91.05494	2.7
93.07042	13.1
95.04958	1.6
95.08611	28.2
97.06531	5.6
97.10176	5.4
99.08116	3.5
105.07030	2.2
107.07938	1.1
107.08593	10.1
109.06485	0.8
109.10159	16.3
111.08096	2.8
111.11727	14.8
111.12290	0.4
119.08600	1.6
121.10150	9.9
123.08108	1.2
123.11715	8.7
125.13307	1.8
127.11217	0.6
129.12779	1.1
131.08595	1.7
133.10127	1.1
135.11707	5.5
136.06186	6.0
137.13251	5.8
139.11197	7.8
143.08588	1.3
147.11806	0.6
149.13263	9.3
151.14825	2.8
157.10191	0.9
159.11655	1.2
163.14854	1.9
165.16467	1.3
167.14310	4.1
177.16382	1.7
179.17828	0.8
187.14870	0.8
191.17978	1.6
205.19556	1.6
209.13184	0.7
209.19028	2.5
227.11920	1.0
240.08873	2.3
255.11349	1.9
261.25742	2.8
279.23236	2.2
279.26825	7.7
297.12238	2.2
297.18674	1.4
297.27881	40.7
299.06259	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1697
Annotation	Graphinone
Peak:m/z	Relative Intensity
53.03945	21.8
55.01863	9.5
55.05507	9.2
57.03438	20.6
57.07063	3.1
65.03948	2.6
67.05508	60.0
67.51876	2.0
69.03425	3.2
69.07067	15.4
70.06576	2.5
70.19859	9.0
71.04981	4.7
72.98842	2.4
79.05499	40.5
81.03419	51.4
81.07063	100.0
83.04974	11.7
83.08617	7.6
85.06544	5.4
91.05479	27.9
93.07051	42.7
95.01337	2.4
95.04972	22.2
95.08615	44.4
97.06548	19.4
98.21048	5.6
99.08083	2.6
103.05443	3.7
105.07040	18.6
107.04963	34.6
107.08605	17.7
109.06526	11.2
109.10165	6.6
111.08073	5.0
111.11668	2.1
113.05985	2.0
117.07040	14.7
119.04914	3.4
119.08593	6.7
121.06506	14.5
121.10154	7.8
123.04404	8.4
123.08073	28.8
125.06081	2.3
131.08571	15.7
133.06483	5.4
133.10179	9.7
135.08102	5.1
135.11691	26.0
136.06201	11.2
139.07564	2.0
141.07008	8.4
143.08533	3.0
145.06493	14.0
145.10132	7.5
149.09686	4.3
149.13268	17.8
151.07561	6.3
159.08080	5.3
159.11688	30.0
169.10092	9.7
171.11729	2.2
177.12755	24.6
179.10690	2.5
187.11180	24.7
195.13821	14.4
195.98494	1.9
205.12292	7.9
215.14330	5.1
223.13321	8.0
241.14352	25.1
261.15060	4.5
279.15979	20.6
279.23407	2.4
283.22055	2.4
297.16937	60.6
299.06161	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	297.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.4
58.99591	9.1
61.01154	6.0
62.99086	1.6
65.03078	1.2
68.05035	20.0
69.05816	27.9
70.06598	3.1
70.70573	1.1
71.13747	1.8
72.08178	1.2
73.01134	1.5
74.00660	2.6
76.02220	1.9
78.96748	1.7
81.72018	1.2
84.08122	1.8
85.01134	17.7
87.02698	100.0
88.03986	4.0
90.96804	1.5
93.64569	1.4
96.04501	3.8
100.02215	4.5
101.01729	5.5
101.02989	4.5
105.03720	3.1
109.52782	1.1
110.00632	2.4
110.07159	1.6
112.02190	6.5
113.01723	4.6
113.30311	1.2
116.04659	1.5
116.05340	16.6
117.03728	70.4
117.97826	6.3
117.99061	2.5
122.02753	4.3
127.03288	1.9
133.01402	6.6
134.06360	76.2
142.81979	1.4
146.00928	4.0
147.02267	12.4
150.98878	1.3
152.04019	2.3
159.02242	4.3
163.03903	3.0
163.98347	8.0
172.69142	1.3
176.02008	24.9
185.02025	36.6
191.99739	1.8
214.00003	1.8
231.02585	65.5
245.04306	1.9
279.02878	1.8
299.06326	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	297.1695
Annotation	Graphinone
Peak:m/z	Relative Intensity
53.03930	19.8
55.01864	9.6
55.05515	37.6
56.96535	4.2
57.03423	18.4
57.07067	13.0
59.04999	7.1
65.03918	6.2
67.05171	6.4
67.05505	86.0
69.07071	91.7
70.06570	7.0
70.92962	10.8
71.04999	6.2
71.08625	4.9
79.05495	46.1
81.03410	38.8
81.07063	100.0
83.04971	14.3
83.08623	23.8
85.06528	10.0
91.05472	28.2
93.07054	63.2
95.04977	31.4
95.08607	70.2
95.37641	4.3
97.06492	12.4
97.10125	7.1
105.07037	22.6
107.04948	42.8
107.08597	34.9
109.02842	5.9
109.06540	9.3
109.10147	20.0
111.08089	15.0
111.11729	9.0
117.06998	17.9
119.04955	6.6
119.08575	10.7
121.06471	15.4
121.10117	15.4
123.04432	6.1
123.08049	24.0
123.11700	12.8
131.08553	18.3
133.06522	6.3
133.10120	10.3
135.08060	7.0
135.10815	4.8
135.11685	32.0
136.06198	51.7
137.13237	5.8
141.06990	12.5
143.08577	11.5
145.06451	18.3
145.10066	8.6
149.13206	27.1
154.07758	6.3
159.08015	6.2
159.11700	30.3
163.03993	5.2
169.10135	14.3
177.12743	25.9
180.37703	4.5
187.11148	30.6
195.11716	6.0
195.13795	16.1
201.14740	4.5
205.12260	11.4
227.11795	5.8
237.10297	19.6
241.14273	15.1
255.11311	5.3
279.11139	15.4
279.15921	17.3
279.26654	6.3
297.11777	13.0
297.17148	50.4
297.22040	5.7
297.28000	23.5
299.06186	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	295.9183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58030	3.3
61.02907	3.1
66.28498	2.5
66.29364	2.6
69.95325	11.3
78.95625	12.6
84.08135	3.9
84.20789	2.8
86.09701	5.1
86.99501	2.7
89.16332	2.9
94.93015	28.8
96.92213	3.5
98.21259	5.9
98.97581	3.8
104.10739	22.6
112.89611	100.0
114.89355	4.2
119.01954	3.2
123.94072	8.3
125.93877	6.8
130.49573	3.5
136.94049	2.9
139.91472	72.5
160.19958	2.7
163.99364	8.8
190.91217	18.0
194.96678	54.5
209.03896	8.3
210.89488	4.3
210.94083	46.9
216.77359	2.7
232.92270	95.0
236.99258	6.2
296.06873	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.9
56.05021	0.4
57.03436	0.9
57.07080	0.6
59.05006	1.7
67.05183	0.3
67.05498	1.7
67.23260	0.2
68.05022	0.3
69.07066	1.6
70.06594	1.2
70.89036	0.8
72.08159	3.2
73.06553	0.5
79.05500	1.7
80.05013	0.7
81.07056	2.0
82.06593	0.6
83.04983	0.6
83.08606	1.0
84.04510	0.4
84.08154	3.0
86.06081	0.3
86.09705	0.7
87.04474	0.8
91.05500	0.9
93.05822	0.3
93.07056	3.8
94.06577	1.0
95.04965	0.4
95.08617	2.1
96.08155	0.8
98.09711	0.5
101.06027	2.3
102.09188	0.3
103.05464	0.3
105.07034	1.7
105.36556	0.3
106.06645	0.4
106.07370	1.1
107.08599	1.9
108.08123	11.4
109.08912	1.0
109.10177	1.0
110.09675	2.5
111.08118	0.3
119.08582	0.5
120.04467	0.3
120.08102	0.7
121.10144	0.5
122.06068	0.4
122.09673	7.9
123.10470	1.5
123.11732	0.4
124.11222	0.5
130.08655	0.4
133.10138	1.3
134.06015	0.4
134.09584	0.5
134.10486	1.1
135.11699	2.2
136.07594	3.9
136.11212	2.6
137.13248	1.3
138.05490	0.3
148.07588	1.0
148.11182	0.5
150.12785	16.0
151.13565	5.6
152.14362	5.9
153.12752	1.1
153.15129	0.5
162.05542	2.1
162.09975	0.4
164.14415	1.1
166.12283	0.7
176.14496	0.4
177.14964	0.3
178.15863	1.5
179.14287	0.6
180.10175	1.8
184.13319	0.7
192.17764	0.3
194.11819	0.5
198.11319	0.4
198.14934	2.3
206.19073	3.5
208.13295	0.7
222.14909	2.2
223.15846	0.4
224.20016	0.9
227.11832	0.4
237.09042	0.4
250.14423	0.7
250.18051	1.4
252.19594	100.0
253.19939	1.2
254.21165	5.0
255.11325	0.7
265.08627	0.8
268.22455	0.4
269.12796	0.4
278.13953	0.8
296.22202	66.5
297.11798	1.2
297.22440	0.7
308.24152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03940	6.1
55.01621	5.7
55.01876	81.6
55.05513	55.2
57.03444	8.5
57.07069	6.2
57.55112	3.5
67.05505	59.1
69.03406	4.3
69.07067	62.9
69.38915	24.1
69.39326	7.9
71.04991	5.5
71.08629	8.5
79.05496	34.8
81.03425	5.9
81.07061	87.7
83.04969	14.2
83.08619	46.3
85.06549	4.8
89.15245	3.8
91.05479	38.1
93.07054	40.0
95.04962	15.2
95.08617	46.4
95.35808	3.6
97.06538	89.9
97.10162	11.3
105.07011	30.4
107.08598	34.1
109.06522	9.6
109.10153	32.4
111.08073	15.5
119.08578	29.9
121.06499	4.0
121.10171	35.0
123.08074	6.4
123.11718	16.1
125.09644	12.7
129.07007	4.1
131.08592	9.3
133.10144	17.6
135.11676	27.2
137.09631	4.9
137.13379	4.4
137.66475	3.6
139.11124	9.1
143.08557	4.6
147.11699	51.4
149.09596	6.4
149.13232	10.5
151.11211	11.3
157.10054	5.1
159.11678	4.6
161.13312	12.5
163.11179	10.7
163.14796	7.1
165.12781	27.3
173.13225	4.1
179.14259	5.5
189.11172	4.5
241.19554	6.1
249.22107	7.5
259.20627	15.6
277.21619	100.0
295.22839	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03941	4.5
55.01870	17.0
55.05289	2.4
55.05509	22.7
57.03437	38.2
57.07072	5.6
59.04998	3.0
59.62526	2.5
61.10101	2.1
64.86761	2.0
65.03948	2.1
67.05504	67.6
69.03429	2.4
69.07064	21.8
70.64736	4.5
71.05000	4.4
71.08652	2.4
77.03950	2.0
79.05060	3.2
79.05493	45.7
81.03400	4.1
81.07059	100.0
83.04980	7.2
83.08620	13.8
85.06528	6.8
88.99804	2.1
91.05489	28.3
93.07047	56.4
95.04965	7.6
95.08611	89.0
97.06538	18.3
97.10146	5.9
98.20867	2.9
99.08070	7.2
105.07027	26.7
107.08589	43.7
109.06509	4.8
109.10159	31.5
111.08078	7.6
111.11726	4.0
113.09641	4.2
117.06990	5.6
119.08578	24.5
121.06519	2.5
121.10144	52.8
123.08074	9.8
123.11707	7.2
125.09621	5.1
127.07527	2.2
129.06985	3.6
131.08549	13.6
133.10127	25.0
135.08078	3.2
135.11687	26.6
137.09633	8.6
139.11197	4.6
143.08614	3.7
145.10136	12.5
147.11688	20.4
149.09610	4.0
149.13284	15.6
151.11176	9.0
157.10179	5.5
159.11725	10.8
161.13274	10.1
163.11195	5.8
163.14809	7.8
165.12773	9.3
167.10643	3.7
171.11719	6.2
173.13255	6.5
175.14836	5.5
181.12209	4.1
185.13231	5.1
187.14806	22.1
203.14220	3.8
203.17949	4.4
203.24144	2.1
205.15836	11.2
220.78023	2.5
221.15451	3.0
221.19041	8.8
223.16965	5.3
241.19553	6.7
259.20605	13.1
277.21658	72.5
288.10791	2.5
295.15063	3.0
295.23053	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03943	5.1
55.01623	4.8
55.01875	74.8
55.05518	41.9
57.07075	12.5
65.03929	2.6
67.05509	49.4
67.70770	2.2
69.03416	4.6
69.07074	30.9
71.04986	6.7
71.08627	19.2
71.57217	2.7
74.82310	2.3
74.95221	2.1
79.05501	31.4
81.03414	10.8
81.07061	57.4
83.04991	12.4
83.08625	26.7
85.06567	3.6
85.10179	17.0
91.05486	39.0
93.07042	36.2
95.04987	18.0
95.08616	37.6
97.06515	21.4
97.10159	7.8
99.08104	15.2
105.07041	24.0
107.04949	5.5
107.08600	22.3
109.06514	7.5
109.10166	17.6
111.08087	81.2
113.09655	16.7
117.06998	4.3
119.08582	15.8
120.79806	2.4
121.10130	19.8
123.08054	5.6
123.11710	7.7
125.09627	4.3
129.07037	2.7
131.08601	5.9
133.10144	25.5
135.11702	10.5
139.11205	6.7
139.19031	2.6
143.08588	4.1
145.10129	6.4
147.11684	17.4
149.09590	12.2
149.13329	13.0
151.11177	21.1
153.12709	3.9
157.10118	7.0
159.11671	3.3
161.09676	3.1
161.13255	10.6
163.11198	8.2
163.14812	3.4
165.12759	29.9
171.11737	3.7
175.11145	4.8
175.14841	4.1
179.14291	11.5
184.38255	2.3
207.13930	3.1
207.48007	2.3
221.15381	2.6
231.21123	4.1
241.19592	5.6
249.22244	5.6
259.20685	15.2
277.21652	100.0
295.22742	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.19570	2.3
53.03947	5.4
55.01871	7.1
55.05512	33.3
57.03429	5.8
57.07063	4.9
58.09096	2.3
67.05505	69.0
68.92573	2.3
69.07059	22.0
69.68717	14.4
71.04979	4.1
71.08634	51.4
73.00580	2.5
79.05495	52.0
81.03403	5.6
81.07063	63.1
83.04989	17.1
83.08629	14.9
85.06522	6.1
91.05497	30.8
93.07050	63.9
95.04962	11.2
95.08047	3.6
95.08610	42.8
97.06519	11.4
97.10165	12.5
98.21445	5.3
99.08105	30.1
100.73580	2.9
105.07037	21.7
107.04961	7.1
107.08603	46.5
109.06493	4.9
109.10161	43.0
111.08131	3.1
113.09627	4.1
117.06998	4.2
119.08587	16.2
121.10153	38.4
123.08082	4.9
123.11718	2.9
125.09641	13.9
127.11140	4.3
131.08577	5.7
133.10110	14.0
135.11688	45.8
137.09593	7.5
141.09109	4.0
145.10091	4.5
147.11702	7.4
149.13261	15.9
151.11189	19.1
157.10136	3.6
159.11789	3.3
161.13243	8.2
163.11119	7.1
163.14755	2.9
164.89401	2.6
177.12715	3.8
179.14319	100.0
189.11232	8.1
189.12833	4.4
195.13803	4.8
221.15329	4.6
235.16956	5.4
241.19481	4.9
259.20563	6.3
277.21637	59.1
295.22711	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	295.227
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
50.56718	3.0
50.56950	2.9
52.21683	3.1
53.03946	8.5
55.01874	40.9
55.05516	80.0
56.86331	3.2
57.03434	9.4
57.07073	13.5
65.03932	3.8
67.05508	90.1
69.03435	10.4
69.07075	35.5
69.84309	16.8
71.04999	9.7
71.08640	22.7
79.05496	65.9
81.03422	13.0
81.07066	100.0
83.04999	21.7
83.08630	42.0
85.06550	9.1
91.05485	49.5
91.86610	3.0
93.07050	83.6
95.04979	27.5
95.08617	58.4
95.39713	3.6
97.06533	18.0
97.10195	21.1
99.08110	17.6
105.07040	38.3
107.04974	6.4
107.08599	40.1
109.06533	13.5
109.10156	21.2
111.08087	62.7
113.09666	4.8
117.07027	8.7
119.08593	26.5
121.10146	27.9
123.08074	7.0
123.11715	9.1
125.09634	10.4
129.06966	7.2
130.59445	2.8
131.08568	17.1
131.47105	3.2
133.06543	6.0
133.10136	44.2
135.08089	4.9
135.11702	32.7
137.09648	6.6
139.11194	17.1
145.10165	4.9
147.11707	25.9
149.09636	10.1
149.13306	20.4
151.11176	20.4
153.12755	4.3
157.10161	7.9
159.11711	8.8
161.13278	11.3
163.11191	9.6
165.12779	11.9
167.14342	4.7
171.11681	6.2
173.13348	6.6
175.11183	6.9
175.14839	10.8
177.12840	3.8
179.14288	7.1
185.13243	5.3
189.11302	8.1
193.12279	8.2
193.15944	2.9
195.13885	4.4
195.84431	2.9
199.14775	3.5
207.13934	3.9
218.74234	3.0
231.21107	8.3
241.19574	6.1
259.20593	13.9
265.29306	3.8
268.79816	3.7
277.21637	95.8
295.22736	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03950	23.0
55.01870	9.6
55.05511	31.0
56.63242	2.7
57.07070	11.0
65.03908	4.0
67.05164	5.2
67.05505	75.1
69.07070	54.2
70.67648	10.1
71.04973	3.2
71.08629	5.1
79.05495	40.1
81.03419	95.7
81.07059	69.3
81.33408	3.3
83.04998	18.0
83.08625	10.7
91.05482	31.1
93.07047	47.4
95.04967	45.0
95.08605	24.9
97.06531	6.9
97.10162	7.2
98.20956	5.4
99.08103	6.3
100.36816	2.6
105.07007	30.4
107.08608	34.6
108.90962	2.9
109.06527	11.4
109.10154	23.5
117.07036	6.3
119.08585	20.3
121.06538	4.0
121.10181	16.4
123.02470	3.1
123.11732	9.6
125.09637	11.4
129.07089	3.3
131.08533	4.7
133.10121	22.6
135.08066	7.0
135.11700	13.7
137.09631	3.3
145.10115	3.6
147.11665	16.4
149.09485	3.3
149.13283	8.5
151.11186	64.6
153.09100	3.8
157.10153	4.9
161.13284	13.2
163.14854	5.4
165.12766	12.7
171.11653	7.8
175.11182	3.8
175.14874	5.8
179.14340	6.9
186.72617	3.0
189.12706	3.6
193.12173	3.1
207.13809	4.3
221.15242	3.9
231.21048	14.4
241.19499	7.3
249.22153	7.9
259.20624	12.5
277.21634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01871	12.1
55.05512	41.1
56.05856	5.7
57.03434	7.5
57.07077	47.6
62.06083	4.6
65.03956	5.1
67.05169	5.1
67.05506	62.1
69.03435	8.6
69.06718	5.8
69.07072	82.0
70.06584	10.5
71.04988	11.8
71.08635	19.9
71.17322	7.7
72.61365	3.4
73.02908	10.2
78.85083	3.1
79.05495	65.1
79.39416	3.4
81.03415	13.4
81.07060	100.0
83.04974	23.4
83.08629	28.1
85.02911	53.9
85.06524	7.8
91.05484	31.1
93.07051	65.6
95.04987	18.5
95.08607	45.1
95.17700	3.6
97.02916	8.3
97.06519	18.9
97.10168	8.9
99.04433	5.6
99.08097	12.7
101.02382	25.8
101.04235	10.2
102.04575	7.9
103.03848	5.9
105.07032	32.5
107.04975	5.4
107.08601	45.5
109.06521	8.4
109.10155	25.4
111.08077	14.0
111.11706	5.5
112.80636	3.3
117.07022	4.6
119.08580	23.3
121.06502	5.8
121.10137	32.3
123.08047	14.3
123.11705	8.8
127.03924	4.3
129.06984	4.1
131.08521	10.0
133.06511	62.7
133.07489	6.4
133.10143	31.1
135.11710	58.6
137.05954	8.6
137.09641	9.3
137.13289	4.4
139.11223	24.4
145.10152	11.0
147.11687	10.6
148.00533	5.4
149.13293	4.8
151.07567	4.6
151.11174	15.2
153.12747	26.8
155.08589	3.8
157.10158	7.5
159.11755	6.9
161.09668	9.5
161.13292	7.5
162.01971	4.2
163.11191	9.8
165.05461	5.2
165.12836	6.1
175.11169	19.4
179.10709	5.1
179.14340	10.4
189.44945	4.4
193.10217	4.6
193.12234	14.5
195.17384	3.8
217.14293	32.6
221.11774	55.7
221.15390	4.8
239.02689	4.0
239.12802	13.1
249.18655	3.6
259.20581	10.3
277.21686	57.5
295.08420	17.5
295.19397	6.8
295.22717	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03936	8.9
55.01886	22.9
55.05514	46.0
57.02721	3.8
57.03425	14.2
57.06826	5.0
57.07079	75.8
59.05001	4.5
62.06086	5.7
67.05504	51.3
69.03395	5.1
69.06715	5.7
69.07068	78.0
70.06581	5.8
70.09992	17.5
71.04987	7.7
71.08625	14.4
73.02914	22.8
74.78960	4.1
79.05499	56.2
81.03420	10.4
81.07061	90.2
83.04990	21.9
83.08621	34.5
85.02427	6.4
85.02911	100.0
85.06530	6.4
91.05471	26.7
91.41781	4.7
93.07037	71.8
95.04960	11.9
95.08607	67.0
97.06541	28.9
97.10181	10.4
98.20858	5.3
98.21414	6.2
99.08083	12.7
101.02377	47.4
103.03812	6.9
105.07022	26.5
107.08588	46.9
109.06513	10.7
109.10183	24.6
111.08072	12.0
111.11731	7.3
117.07038	7.9
119.08586	25.8
121.10136	34.2
123.08063	12.8
123.11693	5.6
125.09615	4.7
131.08562	8.2
133.06474	23.1
133.10126	33.4
135.08083	4.8
135.11674	53.3
137.05948	16.8
137.09612	11.0
137.13353	5.3
139.11171	29.5
143.08505	4.9
145.10112	10.6
147.11725	13.5
149.13272	7.3
151.11169	13.5
153.12755	28.6
157.10176	5.2
159.11664	4.7
160.08784	5.3
161.09628	15.0
163.11172	10.8
165.05476	16.9
165.12791	6.1
175.11168	34.6
175.14807	4.4
179.10657	6.0
179.14305	16.7
193.12218	27.5
203.10785	8.4
217.12405	6.8
217.14299	38.4
221.11754	94.5
239.12770	22.9
249.10303	4.9
259.20703	5.9
277.21628	55.3
295.08521	4.6
295.19363	15.1
295.22946	21.5
296.13507	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	295.2268
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03931	7.4
55.01874	39.0
55.05511	56.8
55.95107	4.6
57.07066	14.7
65.03932	4.6
67.05510	71.8
69.03438	4.5
69.07076	32.5
69.48238	26.6
71.08642	34.7
77.09558	4.1
79.05496	46.9
81.03407	14.1
81.06638	7.0
81.07063	72.8
83.04975	15.7
83.08616	29.2
85.06514	6.1
85.10171	9.6
86.80520	3.8
91.05486	33.9
93.07050	49.3
95.04956	15.8
95.08601	38.5
95.98076	3.8
97.06534	24.5
97.10146	14.8
98.21171	16.1
99.08089	36.8
105.07043	37.6
107.04932	4.6
107.08604	30.7
109.06531	8.9
109.10173	22.7
111.08089	32.3
113.09628	11.0
117.07039	9.8
119.08594	24.2
121.06512	4.6
121.10145	23.2
123.08080	9.0
123.11697	6.1
125.09626	12.6
129.06990	6.7
131.08589	7.5
133.06519	4.7
133.10144	22.2
135.08003	6.0
135.11697	14.7
135.47699	4.3
137.09599	7.0
139.11172	11.4
143.08534	5.0
145.10127	8.5
147.11725	25.6
149.02336	4.9
149.09622	7.0
149.12175	3.9
149.13264	20.4
150.60385	3.8
151.11189	29.4
153.12785	7.2
157.10147	6.8
159.11671	5.5
161.13261	15.5
163.11234	11.4
165.12785	28.6
167.14232	4.8
175.11238	5.3
175.14810	8.0
179.14322	14.7
184.82202	3.7
185.13280	5.6
189.11154	6.7
200.07347	4.4
231.21141	7.1
241.19456	8.7
249.22139	5.9
249.53592	4.7
259.20602	12.8
277.18805	6.0
277.21664	100.0
295.14435	21.4
295.22821	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
55.05519	24.7
57.07073	5.6
67.05486	11.3
69.07080	21.2
69.95615	13.3
70.06581	7.8
79.05478	8.7
81.07050	19.8
82.06572	4.8
83.04971	9.7
83.08606	9.0
84.08110	3.2
86.09682	8.9
91.05466	6.3
93.07025	12.2
95.04990	5.6
95.08606	14.9
97.06517	5.3
97.10175	4.7
98.21373	4.6
100.11250	7.3
105.07022	12.8
107.04963	5.9
107.08590	6.9
109.10149	9.9
111.04403	10.5
111.54447	3.2
112.07610	5.3
119.08571	9.5
121.10100	5.8
123.08086	3.6
128.07069	5.8
133.10127	5.4
136.07504	3.9
147.08109	4.8
149.01151	6.6
149.02347	100.0
151.07671	4.0
161.13264	3.7
168.13882	15.7
171.14984	4.9
182.15425	20.6
196.13359	32.0
203.58878	3.1
210.14873	24.2
230.86377	3.5
294.05707	4.1
295.14584	10.7
295.20572	7.7
295.23828	13.1
319.32465	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	295.1654
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
51.02376	0.5
53.03943	0.6
55.98299	0.2
56.05061	0.3
59.37941	0.2
60.04521	0.3
60.34283	0.2
65.03934	0.4
67.05497	0.5
68.99783	0.7
69.03455	0.2
70.06586	1.1
70.18754	0.8
71.01371	0.3
72.08148	0.8
74.02446	0.8
77.03515	0.3
77.03936	4.2
78.96769	0.3
81.03396	0.3
82.43303	0.2
83.80347	0.2
84.04501	0.5
84.08163	1.2
86.09713	5.7
87.02667	0.2
88.03981	0.2
91.05488	22.7
93.07037	0.3
94.06605	0.2
95.04991	1.5
95.08634	0.2
99.00825	0.3
102.05598	0.3
103.05452	0.3
105.03398	7.6
107.04951	1.9
108.08138	0.2
109.06528	0.8
111.04399	0.2
116.07130	0.4
118.06532	1.1
119.04953	16.2
120.08069	0.5
121.06523	3.3
122.02713	0.3
123.04438	3.2
125.58502	0.3
129.10251	0.4
130.08664	0.5
132.10226	2.1
133.02863	20.2
135.04439	0.3
136.07587	100.0
137.07893	0.4
146.06023	1.7
147.04411	0.9
151.03912	1.2
161.02348	2.4
163.03967	0.5
165.07076	0.3
179.01822	0.5
179.03410	11.0
221.05959	1.2
236.12833	0.3
243.35315	0.2
249.05524	0.9
249.16014	0.9
250.11169	0.2
250.14323	0.6
278.13870	1.1
295.06339	1.6
295.16553	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	295.1539
Annotation	40321-99-1
Peak:m/z	Relative Intensity
55.01881	0.9
55.05511	5.1
57.03446	1.3
57.07093	2.3
65.03931	1.3
67.05500	4.0
68.97563	0.9
69.07072	2.6
69.29165	9.2
71.08595	0.9
73.06566	0.9
79.05492	2.0
81.03397	1.1
81.07051	4.6
83.08626	1.5
88.03098	1.0
89.21190	1.0
91.05486	2.5
93.07035	3.6
95.04973	1.5
95.08606	4.1
96.87593	0.9
98.21248	4.3
105.07037	2.8
107.05042	1.0
107.08588	2.6
108.83134	1.0
109.06510	1.6
109.10184	2.2
111.08101	0.9
119.08585	2.4
121.02883	4.6
121.10184	2.7
123.11717	1.2
125.09671	0.9
133.10130	1.8
135.08087	1.0
140.30774	1.0
149.02348	100.0
149.13243	1.4
165.12764	1.1
205.08632	1.2
219.08029	1.0
277.14282	1.1
277.21497	2.9
295.14322	5.8
295.22913	1.9
310.53912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1442
Annotation	Nigellidine
Peak:m/z	Relative Intensity
52.06352	0.4
53.03963	0.4
53.96416	0.4
55.05495	1.0
57.07055	0.4
57.12093	0.4
67.05492	1.1
69.07026	0.4
72.08141	0.4
73.22586	0.3
79.05469	1.1
81.07049	1.2
83.08620	0.4
84.08128	0.5
91.05474	1.4
93.07034	1.3
95.04963	0.7
95.08571	0.9
98.20956	1.8
105.07021	1.3
106.06528	3.1
107.07349	0.6
107.08602	0.5
109.06519	0.7
117.05742	3.0
117.07025	0.5
118.06533	0.5
120.08109	3.7
130.06534	12.5
132.08083	2.7
133.08855	0.5
133.10213	0.4
134.09654	1.4
136.07576	6.9
144.08154	0.4
160.07573	1.6
162.09175	0.8
164.07071	5.9
166.08687	3.0
166.19380	0.4
167.07422	0.4
178.08574	2.0
180.08119	0.5
193.08937	0.4
194.09673	0.9
204.08110	0.5
206.08389	1.0
207.09190	1.6
208.11285	0.9
217.08752	0.6
218.09630	1.6
219.09212	1.4
220.09937	4.5
221.10727	10.7
222.11490	7.4
223.12299	1.1
232.11122	0.7
233.10736	2.0
234.11476	3.0
235.12308	19.8
236.13083	5.4
249.13867	4.0
262.11151	0.6
277.13379	4.8
277.21432	0.6
280.12076	15.1
295.14404	100.0
296.14688	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1289
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
51.02388	0.9
53.03936	1.2
55.01871	0.6
55.05494	0.8
56.05035	2.6
58.24799	0.4
60.04525	0.9
64.22682	0.4
65.03936	0.6
67.05491	1.2
68.05018	1.2
68.54945	0.4
68.99785	1.5
69.07072	0.7
69.25295	0.4
70.06597	3.7
70.55156	1.4
70.55512	0.5
71.01341	0.8
71.33865	0.4
72.08164	2.2
72.30605	0.4
74.00658	0.6
74.06074	1.5
77.03934	8.1
77.04372	0.5
78.96777	10.4
79.01849	0.7
79.05492	1.3
81.07059	0.6
83.06093	1.7
84.04502	33.6
84.08140	5.7
85.08461	0.5
86.09702	6.0
87.04411	0.4
87.05589	0.4
88.03985	1.2
89.02370	0.7
91.05477	4.9
92.65449	0.4
93.07037	1.4
94.05305	0.4
94.06566	0.8
95.04974	2.9
95.06094	3.4
95.08611	0.8
96.04494	0.7
98.21172	1.0
99.00812	0.6
102.05546	1.9
103.05470	8.0
105.03386	15.8
105.04459	0.6
107.04958	5.2
108.05570	0.5
109.07612	0.5
110.07119	0.6
111.04485	0.5
112.02176	0.4
113.07127	1.0
116.05295	1.2
116.07061	0.6
119.04932	2.9
119.06107	0.7
120.08102	100.0
121.02893	0.6
121.06504	0.7
121.07626	1.8
121.08401	0.8
123.04439	7.4
127.08673	4.6
128.07071	0.9
129.10233	2.5
130.04999	5.9
131.04930	4.9
132.10231	0.8
133.02850	44.1
135.04431	0.9
136.07579	12.9
139.08691	1.2
141.04829	0.6
146.06006	2.1
147.04448	2.4
148.03902	2.1
149.05972	2.1
150.05458	0.7
150.07724	1.2
150.98793	0.8
151.03915	2.8
151.08734	0.6
152.09491	0.7
153.10243	0.6
155.08176	1.3
159.05893	0.5
161.02328	5.0
163.03961	0.9
164.14926	0.4
165.06854	0.7
166.08636	42.1
166.12268	1.0
167.08109	2.4
169.04272	0.5
173.07413	0.9
173.12856	0.5
176.05690	1.7
179.03389	21.6
180.03769	0.7
183.05875	0.4
183.07574	0.4
186.09145	8.0
196.99007	1.2
197.04080	0.4
215.04817	1.0
221.06013	1.3
229.06412	5.4
231.08063	0.7
232.09668	5.4
249.05522	0.7
258.88071	0.5
263.05136	5.2
277.06769	12.6
277.11563	0.6
278.10193	5.2
295.07962	2.3
295.12775	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.8
53.03940	2.1
55.01873	0.8
56.05029	2.0
60.04528	11.8
67.05497	2.1
68.99787	2.1
69.90724	1.5
69.91164	1.5
70.02937	1.1
70.06572	1.2
71.01352	0.9
74.06078	1.6
77.03930	15.4
78.65617	0.5
79.01867	1.4
79.05488	0.9
84.04486	3.1
84.08145	21.2
84.57224	0.5
85.08482	0.6
86.09206	1.0
86.09708	14.9
87.05581	1.0
87.10005	0.5
89.02361	0.8
91.05479	7.6
93.07024	0.5
95.04966	5.7
98.20815	0.7
99.00824	0.8
101.10788	0.6
102.05529	0.6
105.03394	29.3
105.04524	1.1
107.04955	4.9
111.04489	0.6
116.07065	1.1
119.03558	0.9
119.04954	5.3
120.08100	1.4
121.06524	0.7
123.04430	10.7
128.10709	1.2
129.10239	15.3
130.05026	0.4
132.10213	1.9
133.02855	74.4
134.03555	0.7
134.08142	3.2
135.04428	0.8
136.06197	13.1
136.07578	30.1
137.02338	0.7
141.06972	0.7
144.04460	2.1
151.03917	4.0
155.08482	0.5
161.02347	8.5
162.04117	5.8
165.07007	12.9
165.08293	0.9
166.08694	0.5
169.06523	0.7
173.02293	0.7
173.12872	8.7
179.03401	35.4
193.06479	7.9
197.06006	1.6
203.04895	1.1
205.06555	1.4
211.07500	2.1
221.05974	73.5
222.06392	1.1
225.05515	1.2
231.04518	0.8
233.06079	0.5
239.07045	5.4
240.13437	1.7
242.18700	0.5
243.13525	1.0
249.05472	42.9
250.06169	2.3
250.10619	0.7
253.05000	0.9
258.14496	0.6
259.03986	0.6
266.05865	0.9
267.06552	5.7
271.05981	1.8
277.04993	15.6
281.04700	0.7
285.07623	2.7
295.06015	100.0
295.16602	2.2
296.06268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.8
51.02367	2.4
53.00296	0.4
53.03947	2.8
55.01868	0.6
60.04517	0.4
65.03932	0.3
67.05499	1.4
68.99788	3.1
69.53756	0.3
69.91622	1.4
70.06591	0.6
70.27751	0.3
71.01353	1.0
72.08148	0.8
74.02001	0.3
77.03933	21.1
79.01855	1.3
79.05476	0.7
81.03418	0.6
81.07037	0.4
84.04507	0.6
84.08141	1.2
84.34495	0.3
86.09720	0.7
89.02390	1.0
89.03911	0.4
91.05479	0.7
95.04365	0.4
95.04971	6.5
98.20781	0.7
98.21437	0.6
98.38607	0.3
99.00810	1.0
104.10712	0.3
105.03400	36.0
105.04544	1.4
107.04964	5.7
109.02895	0.6
109.06531	0.3
111.04427	0.5
115.03910	0.4
120.08108	1.0
123.04438	14.2
124.07588	0.7
129.10252	0.5
130.05014	0.5
133.02861	100.0
134.03197	0.7
135.04424	1.0
135.07971	0.3
136.07600	0.8
137.05931	0.4
146.06030	3.1
149.05960	0.4
151.03937	5.6
161.02354	9.7
162.03723	0.7
163.03954	0.9
163.07594	0.6
173.13063	0.4
179.03406	42.8
221.07916	0.5
230.96057	0.3
231.05966	0.3
277.03433	1.2
279.33932	0.3
295.04562	1.0
295.11581	15.0
295.17197	1.0
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	Unknow
Peak:m/z	Relative Intensity
52.57782	0.3
53.03936	0.5
54.17600	0.3
55.01865	0.7
55.05505	1.1
57.07058	0.9
62.06089	4.1
67.05502	2.5
68.05826	0.4
69.07056	0.7
70.39625	0.9
71.04966	0.4
73.51252	0.3
79.05495	2.6
81.03413	0.4
81.07055	5.1
81.43582	0.3
82.07395	0.5
91.05488	1.9
92.05833	0.6
92.46284	0.3
93.07038	1.4
94.04192	2.1
95.04994	0.6
95.08589	0.9
97.10164	0.3
98.52889	0.3
99.62417	0.3
105.07058	0.7
106.07343	0.7
107.08610	1.3
109.06500	0.9
109.10154	1.4
110.10474	0.4
118.07343	0.7
119.08562	0.6
120.08887	0.4
121.10134	0.4
122.03641	6.0
123.11709	2.1
125.09575	0.4
129.06967	0.3
130.06522	0.8
131.06845	0.9
133.10106	1.0
134.10478	1.1
135.11668	0.4
137.05981	100.0
138.06358	0.4
141.12819	0.4
145.10164	0.3
146.06787	0.3
149.13190	0.3
151.11153	0.5
152.11530	0.6
158.15431	1.2
170.15373	1.5
170.68721	0.3
174.06375	0.6
176.07906	0.5
203.07011	0.4
204.07307	1.6
215.17807	0.3
221.08162	2.5
222.08417	6.7
234.08495	0.4
255.62373	0.3
258.12158	0.4
262.10596	0.8
276.13196	1.4
276.20499	1.7
277.21643	1.5
294.14185	2.3
294.17166	0.6
294.20981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.8
53.03940	2.1
55.01873	0.8
56.05029	2.0
60.04528	11.8
67.05497	2.1
68.99787	2.1
69.90724	1.5
69.91164	1.5
70.02937	1.1
70.06572	1.2
71.01352	0.9
74.06078	1.6
77.03930	15.4
78.65617	0.5
79.01867	1.4
79.05488	0.9
84.04486	3.1
84.08145	21.2
84.57224	0.5
85.08482	0.6
86.09206	1.0
86.09708	14.9
87.05581	1.0
87.10005	0.5
89.02361	0.8
91.05479	7.6
93.07024	0.5
95.04966	5.7
98.20815	0.7
99.00824	0.8
101.10788	0.6
102.05529	0.6
105.03394	29.3
105.04524	1.1
107.04955	4.9
111.04489	0.6
116.07065	1.1
119.03558	0.9
119.04954	5.3
120.08100	1.4
121.06524	0.7
123.04430	10.7
128.10709	1.2
129.10239	15.3
130.05026	0.4
132.10213	1.9
133.02855	74.4
134.03555	0.7
134.08142	3.2
135.04428	0.8
136.06197	13.1
136.07578	30.1
137.02338	0.7
141.06972	0.7
144.04460	2.1
151.03917	4.0
155.08482	0.5
161.02347	8.5
162.04117	5.8
165.07007	12.9
165.08293	0.9
166.08694	0.5
169.06523	0.7
173.02293	0.7
173.12872	8.7
179.03401	35.4
193.06479	7.9
197.06006	1.6
203.04895	1.1
205.06555	1.4
211.07500	2.1
221.05974	73.5
222.06392	1.1
225.05515	1.2
231.04518	0.8
233.06079	0.5
239.07045	5.4
240.13437	1.7
242.18700	0.5
243.13525	1.0
249.05472	42.9
250.06169	2.3
250.10619	0.7
253.05000	0.9
258.14496	0.6
259.03986	0.6
266.05865	0.9
267.06552	5.7
271.05981	1.8
277.04993	15.6
281.04700	0.7
285.07623	2.7
295.06015	100.0
295.16602	2.2
296.06268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	NONIVAMIDE
Peak:m/z	Relative Intensity
52.57782	0.3
53.03936	0.5
54.17600	0.3
55.01865	0.7
55.05505	1.1
57.07058	0.9
62.06089	4.1
67.05502	2.5
68.05826	0.4
69.07056	0.7
70.39625	0.9
71.04966	0.4
73.51252	0.3
79.05495	2.6
81.03413	0.4
81.07055	5.1
81.43582	0.3
82.07395	0.5
91.05488	1.9
92.05833	0.6
92.46284	0.3
93.07038	1.4
94.04192	2.1
95.04994	0.6
95.08589	0.9
97.10164	0.3
98.52889	0.3
99.62417	0.3
105.07058	0.7
106.07343	0.7
107.08610	1.3
109.06500	0.9
109.10154	1.4
110.10474	0.4
118.07343	0.7
119.08562	0.6
120.08887	0.4
121.10134	0.4
122.03641	6.0
123.11709	2.1
125.09575	0.4
129.06967	0.3
130.06522	0.8
131.06845	0.9
133.10106	1.0
134.10478	1.1
135.11668	0.4
137.05981	100.0
138.06358	0.4
141.12819	0.4
145.10164	0.3
146.06787	0.3
149.13190	0.3
151.11153	0.5
152.11530	0.6
158.15431	1.2
170.15373	1.5
170.68721	0.3
174.06375	0.6
176.07906	0.5
203.07011	0.4
204.07307	1.6
215.17807	0.3
221.08162	2.5
222.08417	6.7
234.08495	0.4
255.62373	0.3
258.12158	0.4
262.10596	0.8
276.13196	1.4
276.20499	1.7
277.21643	1.5
294.14185	2.3
294.17166	0.6
294.20981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1446
Annotation	Gln Phe
Peak:m/z	Relative Intensity
51.35203	0.6
53.03950	0.8
56.05034	6.7
64.29623	0.7
69.07085	0.6
70.06586	4.5
70.25268	2.2
72.08140	2.6
77.03922	2.5
83.06101	60.0
84.04501	62.3
84.08143	9.0
85.02895	1.1
86.09704	2.6
91.05476	1.5
95.04945	0.9
98.20937	1.0
101.07139	8.3
103.05451	1.9
105.03409	4.0
107.04952	1.4
109.06531	0.8
110.07168	1.3
119.04966	1.2
120.08102	100.0
121.08469	1.2
123.04404	2.1
129.06625	2.1
129.10239	2.7
130.04965	1.1
131.04909	1.8
133.02859	9.9
136.06218	0.8
136.07489	1.1
147.04375	4.9
149.06009	1.2
161.02341	1.0
166.08635	37.1
179.03403	6.1
186.09117	5.3
192.05434	0.7
230.12862	4.7
231.11284	23.8
232.09676	1.8
235.60480	0.8
238.17657	0.7
248.14136	0.9
252.13089	1.1
259.10733	3.5
274.57925	0.8
276.13422	57.7
277.11816	24.6
294.14478	2.1
294.17941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01864	1.5
55.05505	1.4
57.03425	0.6
67.05496	1.3
68.99798	4.0
69.07047	1.1
70.06598	3.3
71.57875	1.0
72.08167	0.9
73.02907	1.2
73.65076	0.5
78.33746	0.6
79.05487	2.7
81.07064	3.9
82.07386	0.8
84.04481	0.7
84.08144	1.4
91.05499	3.3
93.07040	5.1
95.04961	1.4
95.08603	2.2
96.20482	0.6
103.05466	8.0
105.07015	4.2
107.04951	1.0
107.08563	0.7
110.10490	0.9
113.10583	0.6
118.06549	17.2
119.01655	4.9
121.06512	6.7
123.20892	0.5
125.68355	0.5
130.06538	3.9
131.04941	10.1
133.06485	1.0
136.04254	1.2
147.04372	1.4
149.05980	7.9
159.04460	3.1
162.12683	0.7
177.05475	100.0
178.05771	1.1
192.10309	0.7
203.01703	0.6
220.09732	0.9
258.09323	1.0
271.08554	0.8
276.10226	7.5
289.09531	0.7
294.07941	1.1
294.11276	16.5
294.16580	1.1
311.47037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2837
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.22366	1.6
53.01870	1.7
53.03940	1.8
55.05511	26.1
55.88301	1.5
57.03429	2.9
57.07077	19.6
61.52301	1.5
67.05509	25.7
69.07071	55.0
71.08627	9.9
76.47923	1.8
79.05492	10.7
81.07059	51.3
83.08618	31.2
84.46188	1.6
85.06531	3.5
85.10175	4.4
91.05499	9.6
93.07053	15.6
95.04978	4.1
95.08611	55.9
97.06518	5.6
97.10173	22.5
98.20870	8.3
99.08079	2.3
105.07043	20.0
107.08611	13.6
109.10158	47.0
111.04418	1.9
111.08088	2.4
111.11734	9.7
117.07008	2.9
119.08599	13.1
121.06523	1.9
121.10115	10.9
123.11706	25.0
125.09602	3.1
128.06244	3.4
129.06993	2.6
130.07814	2.4
131.08530	4.0
133.10139	2.8
135.11694	4.7
137.09665	1.8
137.13271	9.3
139.11127	1.7
142.07751	2.6
143.08583	10.7
145.10080	8.7
147.07945	1.7
149.13272	7.4
151.14844	7.1
151.52107	1.6
154.07742	2.8
155.08595	3.1
157.10097	4.7
159.08046	2.0
159.11635	2.3
163.14850	4.3
165.06978	2.8
165.16386	4.0
167.08539	2.4
168.88731	1.6
169.10097	4.7
169.87761	1.5
171.11670	2.4
177.16330	2.7
179.08517	3.7
179.17894	1.7
179.69403	1.7
181.10103	3.5
183.11754	2.7
184.12469	2.1
191.10715	3.9
191.17889	2.9
194.10915	2.5
195.11696	7.0
197.13295	6.1
207.11792	2.1
209.11609	3.6
209.13316	4.3
211.14671	1.9
213.12787	1.7
215.14211	3.1
221.08026	5.5
231.11722	2.0
237.11227	4.8
237.22054	2.0
251.12544	2.6
275.17792	2.6
275.27374	18.0
293.19012	17.6
293.28381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05515	8.2
57.07064	6.4
67.05508	83.3
68.12218	1.4
69.07085	7.6
70.76881	2.6
70.77235	3.4
71.04988	1.6
79.05498	14.2
81.07062	100.0
83.08611	3.0
91.05478	4.8
93.07063	11.8
95.08610	66.7
105.07024	2.9
107.08605	8.0
109.09450	2.6
109.10159	33.1
111.04440	1.8
119.08566	3.6
121.10150	6.8
123.11713	21.4
131.08556	3.7
133.10168	2.0
135.11700	3.7
137.13229	6.7
145.10109	3.5
147.11722	2.8
149.09621	2.5
149.13275	3.8
151.14795	3.6
157.10384	1.5
159.11647	2.9
161.13278	1.9
163.14847	3.1
173.13182	4.2
175.14781	1.6
177.16451	2.2
191.10628	2.3
209.11719	5.3
221.08101	4.1
237.11186	7.3
243.21065	3.6
261.22144	4.0
293.13748	2.3
293.18692	1.5
293.24902	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.75811	3.2
51.38830	3.1
53.03941	5.9
53.96317	3.1
55.01867	13.7
55.05513	53.0
57.07073	9.9
62.24402	3.1
62.53478	2.8
62.67593	3.2
67.05509	54.1
69.03439	5.0
69.07063	19.1
69.41096	28.5
71.04999	6.7
72.52258	3.0
75.40723	3.1
77.07349	3.0
79.05051	6.9
79.05493	92.0
79.05960	4.7
80.90590	3.4
81.03436	6.9
81.06602	2.2
81.07059	49.9
83.04975	12.8
83.08623	17.2
90.21980	2.7
91.05488	47.9
92.94841	3.5
93.07045	72.3
95.04977	18.2
95.08616	30.6
97.06547	7.7
97.10160	13.6
98.76972	3.3
105.07036	37.2
107.04950	18.5
107.08596	49.3
109.10155	22.9
111.08084	4.1
117.07015	14.6
119.08584	38.2
121.06520	4.8
121.10137	32.1
123.08070	6.2
123.11713	5.2
125.09623	14.4
131.08534	18.1
133.10123	35.6
135.08087	8.8
135.11690	8.2
137.09677	3.5
145.10143	18.9
147.11679	22.3
149.09633	27.7
149.13254	4.3
151.60934	3.0
157.10121	4.6
159.11743	14.5
161.13290	9.7
162.25768	3.3
163.11226	5.6
173.11807	5.2
173.13225	6.9
189.11206	6.2
191.10794	4.4
193.12328	3.0
197.13295	3.9
209.11722	8.8
215.14487	4.9
229.19594	6.8
233.15324	7.8
237.11235	11.8
245.11093	3.7
247.20732	3.5
257.19016	11.8
275.20062	100.0
293.21069	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.28668	0.7
53.03952	1.0
55.01878	6.1
55.05517	5.6
57.03439	1.2
57.07067	1.8
59.04995	0.6
62.06078	1.2
64.24877	0.6
65.03934	0.9
67.05170	1.1
67.05511	18.3
69.03422	1.8
69.07061	5.6
69.63176	0.6
69.89718	0.9
69.90031	3.8
71.04985	2.2
79.05493	11.8
81.03423	2.2
81.07061	26.0
83.04988	3.8
83.08607	2.0
85.06548	1.8
88.89769	0.7
91.05478	11.5
93.07056	7.1
95.04966	3.9
95.08618	8.5
97.06514	2.6
97.10159	1.3
98.21078	1.6
99.04483	0.8
99.08120	0.6
105.07032	14.6
107.04948	2.2
107.08596	14.0
109.06512	3.1
109.10161	17.2
111.08097	1.5
113.06028	1.2
115.05460	1.2
115.94837	0.7
117.07020	5.7
119.08588	8.4
121.06474	1.1
121.10138	2.4
123.08067	3.0
123.11704	3.0
123.88916	0.8
125.09621	1.4
127.07579	1.3
130.06540	15.5
131.08586	3.3
133.10135	20.4
135.08055	1.7
135.11676	1.7
137.05994	13.9
137.09596	2.5
145.06488	6.0
145.10126	3.3
147.08104	1.1
147.11699	1.8
149.05919	0.8
149.09595	1.9
151.11192	11.5
159.08025	1.2
159.11691	1.6
161.13300	1.6
163.07631	1.7
163.11238	1.0
165.09097	1.7
169.12265	2.3
173.05975	10.5
173.09671	1.0
173.13229	1.1
175.07570	6.5
177.05518	2.2
177.09125	1.2
187.07547	2.7
189.12733	0.7
191.07021	7.7
191.10777	1.2
203.07042	20.4
205.08632	2.6
209.08156	1.6
209.11803	1.1
215.07059	1.3
221.08099	100.0
222.08473	1.3
229.12155	1.3
229.19536	1.7
233.08162	4.5
237.11217	1.6
247.20415	1.0
257.11771	3.0
257.19061	1.8
261.10263	3.4
275.12790	16.6
275.20065	17.4
293.13861	20.4
293.21109	9.2
314.32495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.74169	3.0
53.03945	3.6
55.01863	12.7
55.05511	46.3
67.05509	36.7
69.07051	12.9
69.89023	2.8
71.02229	6.1
71.02574	3.6
79.05060	5.7
79.05496	79.3
81.07039	22.5
83.04993	7.8
83.08623	16.8
91.05484	24.7
93.07050	38.3
95.04939	8.0
95.08614	8.0
97.06542	17.8
97.10148	24.7
105.07037	31.1
107.04956	33.2
107.08596	64.0
109.06517	3.7
109.10168	16.6
117.06995	7.5
119.08595	19.1
121.10159	17.9
123.11655	5.1
125.09628	29.3
131.08548	11.9
133.10112	19.0
135.08051	10.8
135.11729	4.1
142.06093	3.4
145.10097	7.9
147.11678	16.6
149.09619	88.7
153.09074	6.6
159.11681	9.1
161.13240	7.5
169.12277	6.1
173.11720	6.1
173.13181	5.6
187.13295	3.6
187.71745	3.4
189.11240	21.4
229.19499	12.2
257.19025	19.2
275.20084	100.0
293.21133	6.3
298.88455	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01857	5.5
55.05509	12.5
57.03452	1.8
65.03947	1.4
67.05172	1.6
67.05509	26.1
69.07072	18.8
70.75822	2.4
70.76169	3.3
71.04996	2.1
79.05495	15.9
81.03439	1.5
81.07059	28.9
83.04980	8.3
83.08605	7.1
85.06548	1.7
91.05476	17.5
93.07051	19.9
95.04959	7.6
95.08606	18.4
97.06523	3.9
97.10190	2.2
98.20998	2.3
100.62639	1.6
105.07033	23.4
107.04955	5.1
107.08579	13.3
109.06536	9.1
109.10170	9.3
117.06998	4.2
119.08585	12.1
121.06500	8.5
121.10154	8.9
123.08090	3.5
123.11673	3.7
125.09638	2.2
129.06993	2.3
131.08572	14.5
133.10146	15.7
135.08058	4.4
135.11700	6.0
137.09602	2.6
143.08559	2.6
145.06500	2.1
145.10138	9.1
147.08073	2.4
147.11659	9.4
149.09612	4.0
149.13248	3.1
151.11150	3.9
157.10164	2.2
159.11688	5.6
161.09647	2.8
161.13297	3.7
163.11182	3.4
169.64287	1.3
171.11754	2.6
173.13310	4.3
173.84525	1.3
175.11185	2.1
177.12712	2.5
183.11665	2.2
187.11163	2.9
191.14122	1.7
197.13138	2.1
201.12701	2.4
207.13829	2.2
219.13864	5.1
227.09357	1.6
229.19704	1.8
237.02061	1.3
239.17966	5.1
247.20590	2.9
257.19052	12.3
275.20071	100.0
276.20468	2.0
293.21130	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	5.5
55.01868	8.9
55.05513	22.0
57.03439	2.0
57.07061	2.0
65.03926	3.5
67.05169	1.9
67.05505	35.1
67.14285	1.3
67.23105	1.1
67.62558	1.4
69.03407	1.6
69.07070	20.7
70.06596	1.4
70.30481	2.7
70.30872	3.2
71.04991	3.4
78.95048	1.2
79.05058	2.4
79.05493	38.2
81.03417	11.8
81.07056	100.0
83.04977	5.4
83.08616	15.4
85.06544	2.3
91.05473	22.2
93.07044	24.9
95.04971	18.6
95.08610	22.1
97.06536	8.0
97.10176	2.5
98.21249	2.3
99.08066	2.5
101.04243	2.3
102.04563	2.1
105.07030	27.1
107.04982	9.2
107.08592	18.2
109.06515	38.7
109.10130	10.6
111.04439	1.3
111.08090	5.8
115.05470	1.3
117.07014	7.4
119.08581	21.9
121.06484	3.9
121.10136	12.4
123.08080	10.2
123.11715	2.8
125.09601	3.5
129.07004	2.7
130.07829	1.4
131.08585	11.8
133.06526	2.0
133.10127	19.4
135.08049	4.4
135.11687	6.6
137.09621	4.7
139.11110	1.4
143.08525	2.1
145.06453	2.5
145.10123	12.1
147.08051	2.5
147.11691	15.6
149.09625	12.5
149.13242	6.0
151.11156	4.6
155.08557	2.7
157.10121	4.8
159.08078	1.9
159.11691	8.3
161.09595	2.6
161.13239	3.7
163.07458	1.5
163.11168	9.8
165.12781	4.1
169.10056	1.8
171.11682	3.0
173.09608	4.5
173.13275	4.3
175.11183	5.4
177.12773	3.4
179.14282	2.5
183.11739	2.3
187.11148	1.7
187.14809	2.6
189.12700	1.9
191.10725	2.0
193.12300	3.7
197.13284	1.5
207.13786	1.5
215.14267	11.1
215.17931	1.8
219.13860	1.4
219.17429	1.4
223.13277	1.6
233.15370	4.7
233.18958	1.4
239.17821	4.6
247.20558	5.0
257.18982	7.8
275.20074	56.8
293.08841	3.9
293.17578	4.2
293.21097	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03932	3.9
55.01882	13.3
55.05516	24.4
57.03434	16.9
57.07082	2.8
65.03929	3.4
67.05508	34.1
69.07070	16.9
69.29250	6.9
69.29662	15.7
71.04994	2.7
71.30994	1.9
79.05495	48.9
81.03423	2.9
81.07056	35.3
82.63806	2.2
82.88404	2.0
83.04958	4.0
83.08624	11.6
85.06549	3.5
91.05477	35.8
93.07048	48.3
95.04967	14.6
95.08592	20.7
97.06534	12.1
97.10175	9.9
98.20773	4.1
98.21458	6.3
98.91279	2.2
105.07029	41.3
107.04942	9.7
107.07874	3.3
107.08603	51.4
109.06544	13.8
109.10169	10.4
113.06034	2.5
117.07008	14.8
119.08594	28.7
121.06484	6.1
121.10139	16.5
123.08073	5.0
123.11694	2.2
125.09621	6.7
129.07022	5.6
131.08577	14.5
133.10138	26.8
135.08083	5.2
135.11705	7.2
137.09654	3.2
143.08553	4.8
145.10136	20.9
147.11710	16.9
147.15569	2.4
148.48633	2.1
149.09642	14.6
149.13243	2.8
149.34460	2.3
151.11180	4.4
157.10120	4.8
159.11713	14.3
161.13255	6.7
163.04025	2.5
163.11226	5.2
165.09087	3.0
171.11678	2.7
173.13263	8.3
175.11176	2.6
175.14803	4.0
177.05470	21.5
177.12744	3.1
178.06271	16.3
183.11740	5.5
185.13269	10.1
187.11183	3.8
189.11290	2.8
191.07036	4.9
197.13213	3.5
201.16393	4.0
203.14352	10.2
215.10701	3.0
219.17442	41.7
221.15355	16.1
229.19516	2.6
233.11684	20.6
233.15524	2.4
237.14848	3.1
239.17976	5.8
247.20551	7.0
257.19019	15.7
275.20062	100.0
277.02997	2.3
293.21088	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03942	32.9
55.01869	26.4
55.05515	38.1
57.07087	7.9
58.10223	5.2
67.05502	71.0
69.07076	49.3
70.98228	5.2
70.98607	15.1
71.05010	7.0
79.05485	54.1
81.03419	55.1
81.07057	94.5
83.04981	21.0
83.08611	15.0
84.76878	6.4
90.35501	4.9
91.05483	70.4
93.07053	53.5
95.01327	9.4
95.04939	24.1
95.08608	53.3
97.06535	21.9
97.33356	4.7
102.81508	4.9
105.07033	100.0
107.04960	42.1
107.08595	28.1
108.01858	4.5
109.06499	10.6
109.10146	12.4
117.07024	21.3
119.08575	61.3
121.06471	9.5
121.10156	19.5
123.08086	21.4
125.09631	12.5
129.07060	5.2
131.08548	25.0
133.10126	45.1
135.08047	10.4
135.11693	17.8
143.08559	5.4
145.06483	9.4
145.10130	22.4
147.11682	25.8
149.09607	10.9
159.11728	17.1
161.13266	8.7
163.11194	8.5
169.10194	7.7
171.11681	7.0
173.13310	10.1
177.12653	9.7
179.14348	15.1
181.04951	5.0
187.11188	16.3
195.13733	6.7
209.11760	9.4
215.14304	13.1
229.19650	6.0
237.11168	17.8
257.19070	6.2
275.20053	93.6
293.21072	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1383
Annotation	Curvularin
Peak:m/z	Relative Intensity
50.83150	0.5
53.03933	1.2
55.01879	2.8
55.05511	3.8
57.03435	0.6
57.07061	1.9
57.99905	0.5
58.72312	0.6
65.03919	0.6
67.05502	9.1
68.51133	0.5
69.03429	1.2
69.07070	3.2
69.92587	1.8
69.92979	1.1
71.04987	1.5
79.05498	9.1
81.03416	2.2
81.07059	11.8
83.04974	1.4
83.08606	1.3
85.06549	1.1
91.05471	7.6
91.77338	0.6
93.00269	0.6
93.07037	5.3
95.04993	2.5
95.08607	4.0
97.06516	2.2
97.10159	1.8
98.20936	0.9
98.21503	0.7
103.93694	0.6
105.07037	7.3
107.04941	1.2
107.08598	11.0
109.06520	1.1
109.10152	6.9
111.04422	0.7
115.05463	2.4
117.07038	5.7
119.08586	4.5
121.10139	2.5
123.08051	1.1
123.11671	0.8
125.09615	1.9
127.07526	0.5
129.06981	0.7
130.06534	5.7
131.08566	2.5
133.10127	8.5
135.08023	1.3
135.11671	1.1
137.05991	4.7
137.09636	1.2
145.06490	5.1
145.10127	1.8
147.11670	2.3
149.06009	1.3
149.09653	2.8
149.13222	0.7
151.11198	5.3
159.08061	0.7
159.11641	1.5
161.06009	1.0
163.07561	1.0
163.11171	0.7
165.09117	1.1
169.10182	0.6
169.12297	0.8
173.05997	11.4
173.13225	0.7
174.89955	0.6
175.07538	6.3
177.05450	1.9
177.09148	0.6
187.07564	3.4
187.11183	0.5
189.11273	1.0
191.07062	7.0
203.07033	23.5
205.08604	1.1
209.08090	1.1
209.11768	1.5
215.07063	2.2
215.18059	0.6
221.08095	100.0
222.08443	1.2
223.13182	0.7
229.12132	1.6
233.08098	5.2
237.11218	3.0
239.10820	0.5
239.18071	0.7
257.11807	3.7
257.19055	2.0
261.10297	1.6
275.12778	16.9
275.20047	11.8
293.13818	21.2
293.21085	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	293.1383
Annotation	Curvularin
Peak:m/z	Relative Intensity
52.87616	0.6
55.05512	1.5
59.04993	2.1
67.05498	2.5
69.03425	4.1
69.07062	2.0
70.06596	1.3
71.04965	0.6
71.15099	1.3
71.15434	0.6
72.08160	0.9
79.05490	2.1
81.07056	3.5
83.08602	0.9
85.27297	0.6
87.72766	0.6
88.02216	2.7
91.05473	6.1
93.07047	2.3
94.65448	0.7
95.08600	2.9
105.07041	4.7
107.04915	1.2
107.08575	1.5
109.10143	1.2
115.05471	5.1
117.07014	8.2
118.06589	0.8
119.04961	1.8
119.08583	1.9
121.06524	1.2
121.10172	1.6
123.08028	0.8
123.11772	0.7
128.06245	1.0
129.07004	4.6
131.04939	1.2
131.08559	2.4
133.06442	0.9
133.10094	0.8
134.02730	2.1
134.78107	0.7
135.08073	1.9
137.13199	1.0
141.07042	0.9
143.08568	0.9
144.05710	1.3
145.06479	9.3
147.04417	3.4
147.08057	2.7
148.04822	1.0
149.02422	0.8
149.05991	2.1
149.09662	1.2
151.07574	1.4
154.07834	0.9
157.07616	0.7
158.07260	0.9
159.08041	8.1
161.05986	7.9
161.09569	5.3
163.07561	3.9
169.10048	1.0
171.08060	0.8
173.05986	18.0
173.09595	1.1
173.13033	0.7
174.03151	1.1
174.06775	1.1
175.03899	2.5
175.07545	11.0
176.04259	1.9
177.05473	3.0
177.09010	1.1
179.08522	1.3
187.07544	24.5
187.11143	1.3
189.05415	0.9
189.09109	4.0
191.07025	8.9
193.04883	1.9
194.05249	1.7
196.08861	0.8
197.09523	1.4
198.10475	0.8
199.07591	1.3
200.04712	1.6
201.09100	1.2
203.07033	30.9
203.10638	2.7
205.08588	16.4
211.11180	2.5
213.09016	0.8
214.09846	0.9
215.07028	38.6
215.10457	1.5
217.08598	2.8
221.08092	100.0
225.09027	0.8
227.06979	2.5
229.12259	8.9
231.10249	1.5
231.13809	6.8
233.08092	57.8
235.09648	2.5
239.10674	4.0
242.09378	3.0
247.13329	4.1
251.12686	1.4
257.11743	25.3
275.12775	94.5
276.13177	2.1
293.10074	5.0
293.13803	25.3
293.28189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1166
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
53.03938	1.2
55.01861	3.6
55.05492	1.6
60.04501	2.4
61.01151	15.0
69.07064	1.1
69.08080	0.8
69.63686	4.7
69.64101	1.8
70.02943	1.4
70.06576	2.6
71.04980	2.8
72.04517	15.2
73.02912	3.1
78.03793	31.6
81.03395	2.8
83.04959	2.4
84.08131	2.1
85.02902	20.6
86.06065	5.7
86.09696	3.2
98.02396	2.1
98.06048	1.0
98.21317	2.7
99.04454	16.1
102.03769	45.8
103.02147	4.8
103.03942	35.7
104.01644	2.2
109.02887	6.7
112.07622	1.9
114.03769	4.9
114.05535	3.1
114.10010	1.2
115.05014	1.3
115.08645	1.2
120.04802	9.6
124.07572	1.1
126.05520	39.0
127.03922	14.2
129.10141	1.1
131.06389	21.9
132.04797	17.6
141.06610	2.4
145.04956	2.2
147.04379	2.7
147.05876	2.7
149.07440	100.0
152.07045	5.3
154.08638	4.6
156.06554	2.5
158.02676	0.8
163.06174	1.1
166.67621	1.0
175.05377	6.4
177.05473	2.8
180.06563	27.1
186.05956	1.1
191.10547	0.9
194.99509	1.3
198.07634	8.9
204.06912	1.1
211.57559	0.9
216.08701	4.1
222.08018	1.0
231.11633	7.2
233.09560	1.6
257.09677	4.3
275.10544	7.3
285.30701	0.9
293.11658	93.4
294.11963	1.3
305.73752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38248	0.5
56.05033	1.3
56.22072	0.4
56.91317	0.5
56.96568	0.6
57.03427	0.6
59.37194	0.5
60.04523	0.5
65.03940	0.7
67.00262	0.4
69.03444	0.8
70.06599	3.0
70.92793	1.1
71.04998	0.6
72.08145	1.8
79.05493	0.6
81.03397	0.5
81.04512	0.8
81.07069	1.0
83.06106	7.4
84.04507	10.4
84.08141	3.4
85.02931	0.8
86.09709	1.5
88.03983	0.5
91.04961	0.8
91.05491	12.5
95.08601	0.7
98.21218	0.8
101.07145	3.3
107.08646	0.5
109.06525	0.5
110.07177	1.1
114.71497	0.5
119.04955	29.6
119.08589	0.8
120.08112	1.5
121.06469	0.6
121.10065	0.5
129.06616	16.7
129.10229	1.1
130.05026	7.8
131.08545	0.7
134.69125	0.6
135.04372	0.6
145.02866	1.2
147.04419	100.0
147.07611	8.2
148.04765	0.5
149.07419	0.6
155.08984	0.6
162.95412	0.5
163.07559	1.6
163.49609	0.4
167.00107	1.0
173.09593	0.9
177.03281	0.5
177.05501	2.1
177.06845	0.5
177.77109	0.5
189.07408	0.7
191.10611	0.7
194.99506	3.3
197.05963	0.6
204.34218	0.5
213.00574	0.9
215.10774	1.2
215.14406	1.0
221.08153	1.0
222.99001	0.6
226.98473	1.0
233.11707	0.8
239.02228	1.2
251.12862	2.5
252.01634	0.5
257.00113	0.5
257.03357	1.1
275.13852	0.8
293.11179	0.6
293.14911	1.4
293.18280	0.6
311.00626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
57.05356	0.2
67.05500	0.7
69.07061	0.4
70.06601	2.1
71.01347	0.9
71.05000	0.4
71.57254	0.3
71.57635	0.3
73.06494	0.2
74.02422	0.3
79.05476	0.6
81.07037	1.1
83.04980	0.4
83.08640	0.2
84.04496	0.4
84.08140	0.5
86.09707	0.8
89.02390	0.5
91.05472	0.8
93.07040	0.6
95.04979	0.4
95.08625	0.8
97.06530	0.3
101.04244	0.3
103.05395	0.2
103.84037	0.3
105.07007	0.5
107.08595	0.4
109.10156	0.5
112.02164	0.7
119.08571	0.7
120.04401	0.3
120.08116	0.8
121.02911	0.5
121.10170	0.3
129.10194	0.3
130.03297	0.3
130.06538	4.9
131.06039	1.8
131.07355	0.4
131.08546	0.6
132.04456	7.6
133.10236	0.3
134.05988	0.4
137.09587	0.3
145.06473	0.3
145.10126	0.4
145.34172	0.3
146.02620	0.3
149.02318	1.9
155.14221	0.3
158.06042	0.5
159.05540	1.0
159.56610	0.3
160.02567	0.4
160.03937	0.4
162.03767	0.4
163.07494	0.4
170.09735	0.5
177.06599	100.0
178.06927	0.9
187.05052	5.8
196.10066	0.4
211.05028	2.7
213.06630	0.4
215.10738	0.3
221.08076	0.5
229.07964	2.8
239.04539	5.5
247.07111	0.6
251.12799	0.8
257.05142	2.5
257.07977	2.3
269.95682	0.5
275.06625	7.0
275.16388	0.3
275.20084	0.4
293.07697	5.3
293.13885	0.6
293.18005	0.3
293.21283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73121	1.1
52.09624	1.0
56.96565	17.3
69.03446	1.0
69.07056	3.8
70.06583	1.4
70.79980	2.8
70.98116	2.2
72.08138	1.0
82.99850	3.2
84.08141	2.6
84.96048	2.0
86.09702	31.3
87.10021	1.5
98.97582	11.1
101.00877	31.3
103.00671	1.7
110.97565	2.6
113.00906	1.3
115.02428	13.7
116.98592	6.5
118.12230	1.2
119.01923	64.8
121.01680	2.9
128.98621	4.4
131.01904	6.3
132.10199	7.4
132.96590	1.9
133.03468	76.8
134.03595	1.4
137.02937	8.0
140.98555	1.5
143.00203	2.7
143.01901	35.7
145.03484	4.6
146.99648	2.1
147.05031	1.1
149.03047	2.3
151.04495	9.5
152.05713	2.5
156.05084	1.9
157.03531	1.5
158.99725	1.8
160.96121	2.9
161.02962	100.0
161.99451	1.4
162.03125	1.4
162.38937	1.1
165.00735	1.9
170.99635	2.2
172.08173	1.7
172.97746	1.5
173.02957	35.1
175.04570	3.2
177.00783	2.1
177.02446	1.0
179.04022	2.1
180.07104	4.7
180.98398	1.2
184.04581	1.6
185.03006	4.1
187.04573	2.2
189.00797	2.2
189.07600	8.2
189.57784	2.0
190.98639	2.0
191.04008	39.3
198.08159	6.9
201.00703	1.7
203.03986	10.3
206.07147	1.6
207.01715	1.4
214.05571	1.7
215.04080	3.1
219.01744	1.8
221.03099	1.6
232.99696	1.6
233.05174	3.7
236.61220	1.7
237.02890	2.3
244.03177	1.2
245.61801	6.6
251.00864	3.2
251.04442	4.3
254.62573	1.5
256.03589	1.2
258.05060	2.3
261.04593	13.7
269.05606	1.8
274.04382	1.3
275.06326	1.4
279.05893	1.5
293.07239	58.8
294.07535	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07071	6.6
98.21387	5.5
119.01936	8.2
127.24660	3.1
133.03461	4.6
136.94588	3.4
143.01881	4.0
161.02975	10.9
173.02939	6.3
178.30170	3.3
191.80983	3.2
287.88611	3.7
293.06360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1907
Annotation	Dendroxine
Peak:m/z	Relative Intensity
53.65571	0.5
55.05507	1.4
56.39104	0.5
57.85447	0.4
60.04526	0.8
67.05497	1.1
68.05047	0.6
69.07069	0.9
70.06609	2.9
71.57280	0.6
72.08147	0.7
76.26872	0.5
78.42591	0.5
79.05489	0.9
81.07050	0.7
83.05005	0.5
83.08620	0.5
84.04501	1.4
84.08138	0.7
85.01118	2.9
85.02907	0.5
86.09704	1.0
88.03963	0.6
91.05478	2.1
92.05011	3.3
93.05772	0.8
94.06567	0.7
97.06525	0.9
100.69971	0.4
105.07033	1.0
106.06544	1.2
110.07204	0.6
112.02161	0.8
117.05759	1.1
118.05704	0.9
118.06543	15.2
119.07355	1.2
119.08605	0.6
120.08112	1.9
121.07608	1.0
123.71764	0.5
130.06523	7.5
132.08064	2.8
133.08902	0.6
133.10219	0.5
136.06204	2.5
143.08525	0.6
144.08049	0.7
146.06140	0.5
146.09669	1.0
158.06013	0.7
160.11229	0.5
162.03668	0.5
162.09142	12.2
163.09947	3.4
164.10680	0.7
165.15329	0.5
167.08173	1.1
170.09637	0.7
176.14366	7.6
202.15886	3.2
228.17433	3.2
229.07895	3.9
230.15396	16.5
246.14861	0.5
248.16501	1.4
257.07596	2.8
264.09335	1.2
274.18082	0.6
275.07156	0.6
277.14960	1.7
292.19113	100.0
293.04501	1.0
293.08005	0.5
293.19427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63229	2.0
53.03962	2.5
55.01876	23.5
55.05507	4.2
56.05026	5.9
57.03435	2.7
57.95230	2.0
58.21899	2.2
60.04502	3.5
61.01149	16.8
61.02912	2.6
62.01479	2.3
67.05499	4.6
68.05047	14.0
69.03434	41.2
69.05775	3.8
69.35019	2.2
69.76934	6.8
69.77340	6.1
70.06579	9.7
70.99197	4.7
70.99580	88.3
71.04998	2.8
72.08163	5.2
72.32101	2.2
79.05496	3.1
79.45034	2.1
81.03423	13.5
81.07054	2.7
83.06100	7.3
84.04510	15.9
84.08146	89.1
85.01140	12.3
85.02907	11.9
85.08480	33.6
86.06068	66.2
86.09707	27.5
87.02720	3.2
93.04514	5.3
96.04491	8.2
97.01130	3.2
97.02891	43.0
98.06055	14.2
99.02654	2.5
99.04458	11.8
101.00602	8.4
102.03757	4.5
103.03934	2.5
109.02874	7.5
110.07165	41.0
112.02217	2.5
113.00594	9.9
114.05529	100.0
117.03627	2.3
120.08102	2.6
123.37920	2.5
125.00587	6.5
127.03935	12.9
129.10258	7.6
130.03224	37.8
130.05005	7.3
130.06516	10.4
132.06598	2.3
132.08432	58.8
132.10107	2.4
133.08800	44.6
136.38170	2.3
141.00043	18.8
143.01625	8.7
145.04961	4.5
147.04399	4.3
147.07657	4.2
149.07423	4.2
155.01607	19.3
159.09215	6.7
160.07584	3.3
167.01535	3.0
169.07668	4.1
170.06085	5.7
172.04248	4.1
214.05351	3.9
215.03717	92.3
230.13931	2.9
233.04791	68.5
234.50328	2.6
255.23224	2.5
269.16864	3.6
274.07443	15.0
281.89331	2.1
292.08499	86.7
292.17642	20.2
293.11505	3.1
296.15109	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03934	5.8
55.01865	2.3
55.05516	20.1
57.07071	4.2
58.53478	1.9
59.04989	1.9
65.03922	3.4
67.05170	2.3
67.05506	33.7
69.07072	18.9
69.49414	13.8
71.04978	2.3
71.08652	2.0
79.05495	74.0
81.07062	54.9
83.04987	3.2
83.08627	10.2
85.06543	6.3
85.10163	1.8
86.18674	1.6
91.05486	29.2
93.07050	100.0
94.07365	1.9
95.04939	6.3
95.08038	2.9
95.08609	38.9
97.06547	3.8
97.10143	5.6
98.21247	6.6
105.07050	19.2
107.08601	54.1
109.06499	5.8
109.10165	17.5
111.08059	4.0
117.07026	4.2
119.08586	16.1
121.09307	3.7
121.10143	48.8
123.08089	3.5
123.11724	3.8
129.07004	3.7
131.08553	6.3
133.10138	13.7
135.08101	4.6
135.10681	2.8
135.11699	53.5
137.09627	3.2
139.11151	2.4
143.08565	4.7
145.10085	5.5
147.11690	11.9
149.09624	2.5
149.13266	33.5
157.10133	4.2
159.11700	6.7
161.09657	3.3
161.13298	9.1
163.11179	5.4
163.14830	13.3
165.05484	23.2
165.12759	2.0
171.11655	4.5
173.13245	2.0
175.14781	5.1
177.12746	4.2
177.16328	1.7
185.13182	3.8
189.12695	2.1
199.14693	2.8
206.88918	1.9
207.13828	2.1
209.15392	1.9
213.12729	1.9
213.16365	2.3
217.19388	2.6
221.11707	16.3
221.15331	2.3
235.16901	2.4
241.19473	5.2
249.18564	5.5
257.47552	1.9
259.20572	7.6
291.19733	10.5
291.23169	66.9
291.26538	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
55.05514	20.4
57.07069	5.0
59.04992	1.8
65.03951	1.8
67.05507	41.1
67.56537	2.1
67.87862	2.0
67.94113	1.8
69.03445	2.2
69.07069	21.1
70.21069	6.5
70.21487	5.1
75.21419	2.0
79.05498	79.1
81.07063	54.9
83.04997	2.6
83.08611	9.2
85.06548	5.1
91.05480	30.0
93.07052	100.0
95.04967	8.6
95.08612	37.4
97.06507	4.2
97.10167	5.1
98.98391	2.8
105.04505	2.5
105.07042	22.0
107.08604	65.9
109.06548	4.0
109.10191	17.4
111.08101	3.4
117.07004	4.0
119.08586	22.0
121.06533	2.9
121.10151	50.2
123.08073	5.0
123.11716	4.7
129.07034	4.5
131.08571	7.5
133.10150	15.7
135.08041	5.2
135.11700	63.9
137.09628	3.6
143.08575	5.0
144.87335	2.0
145.10107	9.1
146.65085	2.1
147.08069	6.9
147.11684	13.4
149.09673	3.9
149.13277	33.4
151.07634	2.9
151.11263	2.3
157.10202	5.3
159.11716	5.1
161.09557	2.4
161.13292	9.1
163.11215	4.7
163.14845	8.2
171.11644	4.7
175.11252	3.0
175.14880	6.2
177.12830	2.4
185.13176	2.5
189.09137	3.3
189.12662	3.0
199.14859	2.5
203.14317	3.4
207.13721	2.9
213.12695	4.3
213.16403	2.5
223.22076	2.2
229.23494	2.1
231.13818	6.6
241.19530	5.1
249.18532	8.0
259.13306	4.4
259.20538	10.1
273.18646	3.1
291.08765	2.6
291.19678	13.4
291.23160	64.5
292.22504	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03937	1.7
55.01840	3.3
55.05516	10.5
57.03432	1.5
59.04979	1.0
65.03924	1.5
67.05499	9.2
69.03411	4.5
69.07062	14.4
70.06588	6.7
71.04976	3.7
71.24249	1.8
71.24632	0.9
72.08138	1.0
75.49366	1.0
79.05492	18.6
81.03381	1.1
81.07055	20.5
83.04958	3.8
83.08620	6.8
84.08158	1.3
85.06533	2.2
91.05059	1.0
91.05482	13.0
93.07040	30.6
95.04970	5.0
95.08600	16.9
97.06517	4.1
97.10156	4.1
98.21053	1.2
105.06364	1.9
105.07024	20.6
106.06602	1.2
107.04962	6.9
107.08591	23.4
109.05778	1.9
109.06512	33.4
109.10155	8.4
111.08070	3.0
111.11704	2.6
112.02202	1.1
116.05347	1.3
116.07082	2.8
117.07008	6.6
119.04920	1.4
119.08583	10.5
121.06517	5.3
121.10140	45.1
123.08086	7.3
123.11708	2.8
125.09637	8.2
128.06184	1.2
129.06981	3.4
130.06516	11.3
131.08562	9.8
133.06491	3.5
133.10120	5.5
135.08044	15.3
135.11665	3.3
137.09589	5.0
137.13322	1.2
139.11177	3.7
141.06927	1.5
142.07739	1.3
143.08568	4.9
145.10115	5.7
147.08054	4.9
147.11693	5.0
149.09616	17.8
149.13234	2.9
151.07524	7.8
153.09149	1.4
156.09268	1.8
157.10088	6.0
159.08067	2.6
159.11659	3.0
161.09589	3.2
161.13303	1.7
163.11205	3.3
163.14842	1.9
165.12782	1.6
167.10675	100.0
169.10146	1.7
171.11670	4.9
173.09636	1.5
173.13283	8.6
175.11096	4.8
177.12740	1.1
185.07518	1.0
185.13182	2.7
187.14751	1.6
189.12762	4.6
191.10672	8.3
191.14331	5.9
195.11696	1.2
197.13266	3.5
199.11124	1.9
207.13841	3.6
209.11681	1.1
213.12749	2.3
213.16304	1.7
215.14388	4.9
217.12253	2.6
217.15834	2.8
223.12965	1.1
227.18015	1.5
228.04845	1.2
231.17381	1.5
233.15379	14.0
235.12199	1.4
237.16396	1.3
245.18896	2.0
249.18451	1.3
255.17453	4.5
273.18497	14.2
273.25726	1.5
291.00970	1.5
291.10999	1.9
291.16522	1.4
291.19534	36.2
291.26788	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03941	2.8
53.16713	0.7
55.01875	8.0
55.05260	0.9
55.05511	14.0
57.03440	11.2
62.85807	0.8
65.03939	1.4
67.05170	1.4
67.05508	19.6
69.03433	7.0
69.07070	8.8
70.16695	4.0
71.04991	4.8
73.06559	1.1
78.21124	0.8
79.05495	30.0
81.03416	9.8
81.07058	32.1
83.04978	4.3
83.08617	5.2
85.06539	4.8
91.04893	0.9
91.05481	24.8
93.07043	26.5
95.04974	9.1
95.08604	12.4
97.06552	4.4
97.10169	3.3
98.21176	1.8
99.08069	2.3
103.05439	1.0
105.03372	1.0
105.07031	20.2
107.04966	10.7
107.08598	16.0
109.06522	17.7
109.10162	4.9
111.08118	1.9
113.06033	1.4
115.05479	2.3
117.07017	11.5
119.00993	0.7
119.04945	2.9
119.05898	0.8
119.08584	17.5
121.06512	16.3
121.10140	12.2
123.08075	8.0
123.11705	3.8
125.09631	2.2
125.81879	0.8
127.07565	1.5
128.06192	1.5
129.07031	7.1
130.07784	1.5
131.08566	16.3
133.06474	4.9
133.10107	8.4
135.08054	25.7
135.11697	3.7
137.09634	2.0
142.07767	1.2
143.08539	5.5
145.10123	12.2
147.08031	10.1
147.11650	8.2
148.08855	2.1
149.09627	20.8
149.13200	1.5
151.07469	0.9
151.11127	1.1
155.08611	1.7
156.03711	0.8
157.10158	5.3
159.08043	1.8
159.11679	4.6
161.09624	7.3
161.13246	1.9
163.11174	4.1
165.09169	1.1
169.10191	1.6
171.11667	3.7
173.09531	2.0
173.13228	2.3
175.11130	4.4
177.12701	1.1
179.10803	1.2
183.11732	1.7
185.09605	0.9
185.13300	2.4
189.12767	1.5
191.14278	0.9
195.11873	0.9
199.14813	2.4
201.12801	2.1
203.14308	2.7
205.12196	1.0
207.13745	1.2
213.12613	1.2
217.15904	8.4
219.13831	3.3
227.17949	0.9
235.16852	1.7
237.16322	1.3
245.19084	3.1
255.17439	5.1
263.19958	1.2
273.18497	32.6
291.12677	2.1
291.19543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03931	6.6
55.01859	14.1
55.05517	58.5
57.03431	10.9
66.92200	4.6
67.05510	70.3
69.03442	10.9
69.07077	36.4
70.06593	4.9
71.03287	12.5
71.04985	13.2
77.04589	4.1
78.04684	4.0
79.05056	6.7
79.05492	100.0
81.03430	7.1
81.07058	97.9
83.04987	9.3
83.08635	25.0
91.05482	98.9
93.07047	88.5
95.04967	19.2
95.08607	52.2
97.06533	12.2
97.10166	19.3
103.05431	7.8
105.07030	87.3
107.04976	21.6
107.08590	47.6
109.06513	17.1
109.10156	14.4
111.08067	12.7
115.05466	8.3
116.06204	6.5
117.06223	5.2
117.07022	72.4
119.04956	9.1
119.08598	78.8
121.06494	18.7
121.10152	26.6
123.08054	16.1
125.09642	12.3
128.06229	11.9
129.07013	27.3
130.07762	8.0
131.08582	85.9
133.06482	6.4
133.10141	31.3
135.08037	27.9
135.11714	16.7
137.09654	6.2
139.11177	10.4
141.07025	7.7
142.07750	6.6
143.08557	49.1
145.10136	89.4
147.08060	32.4
147.11684	10.0
149.09602	18.7
151.07526	24.4
155.08664	5.0
157.10117	20.9
159.08055	7.4
159.11674	24.5
161.09634	17.4
163.11205	7.9
169.10103	4.9
171.11711	24.7
175.11179	11.0
181.10165	5.6
185.13300	8.0
189.12727	8.7
195.11737	9.8
197.11609	4.8
199.11136	4.7
199.14777	4.2
207.13791	18.5
213.12825	4.3
217.15942	10.0
219.13869	4.7
227.17987	7.9
233.15340	5.8
237.16365	9.1
245.18930	8.6
249.14882	10.0
255.17490	15.0
263.20291	5.2
273.15781	6.7
273.18503	78.7
282.71259	4.3
291.19537	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03936	1.5
55.01872	1.5
55.05521	12.2
56.59156	1.2
57.03428	1.5
57.07053	2.2
59.04992	3.0
67.05506	7.5
69.03417	3.7
69.07057	3.1
71.02455	2.6
71.02799	2.2
71.04977	4.2
73.25633	1.3
79.05500	10.8
81.07062	10.7
82.64520	1.5
83.04972	2.4
83.08629	9.9
85.06534	2.3
91.05482	8.8
93.07060	14.6
95.04953	6.4
95.08617	17.8
97.06530	3.9
105.07039	9.5
107.04961	14.8
107.08601	11.5
109.06536	9.4
109.10174	2.9
111.08085	40.5
117.06996	2.3
119.08576	10.3
121.06545	3.0
121.10157	8.0
122.07291	2.0
123.08077	31.0
125.09603	2.0
129.07033	1.9
129.67900	1.3
131.08575	7.8
131.94783	1.2
133.06490	4.3
133.10129	8.3
135.08049	6.0
135.11705	3.1
141.05518	2.1
143.08549	2.7
145.10121	6.4
147.08026	4.8
147.11681	5.3
149.09579	7.1
149.13222	1.4
151.07549	100.0
155.10602	1.4
157.10121	4.4
159.11758	1.9
161.09634	2.4
161.13197	2.2
163.11244	6.6
171.11710	4.0
173.11952	1.5
173.13281	6.2
174.10350	1.4
175.11147	3.8
177.09172	2.0
179.10664	5.1
181.12204	1.7
189.11102	2.4
189.12753	26.3
191.14331	10.7
192.11446	4.6
197.11736	15.0
197.13284	2.6
207.13812	64.4
213.16319	2.3
215.14372	4.3
217.12183	3.1
231.17404	2.2
233.15366	30.9
235.13237	3.7
245.19041	1.5
249.18451	2.5
255.17429	2.7
273.18491	10.5
291.19547	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03944	3.5
55.01884	7.9
55.05259	1.6
55.05511	19.3
57.03443	13.9
57.07072	2.1
61.56265	1.5
65.03928	2.5
67.05173	1.8
67.05510	29.3
69.03423	5.2
69.07070	16.2
69.12853	1.3
70.76137	3.3
71.04987	6.2
79.05054	2.3
79.05500	37.2
81.03414	4.7
81.07059	34.9
82.36696	1.4
83.04990	10.4
83.08627	7.5
85.06544	7.2
91.05487	39.4
93.07051	31.7
94.54289	1.3
95.04973	11.4
95.08615	19.3
97.06533	5.4
97.10166	2.6
105.07038	25.9
107.04977	11.6
107.08606	21.2
109.06523	45.8
109.10153	6.5
111.08096	4.2
113.06023	3.7
115.05449	2.9
115.22926	1.4
115.74710	1.4
117.07023	18.9
119.04963	2.1
119.08595	22.8
120.07847	2.0
121.06515	10.4
121.10159	12.4
123.08067	8.8
123.11718	2.8
128.06200	2.3
129.07036	9.2
130.07817	1.8
131.08597	22.7
133.06483	6.3
133.10149	12.7
135.08061	32.9
135.11700	6.1
137.09622	2.5
139.07574	1.4
143.08548	7.2
145.06575	1.6
145.10149	19.8
147.08055	8.8
147.11705	4.7
148.08856	1.5
149.09613	16.3
149.13246	1.9
149.50716	1.4
151.07558	4.7
155.08598	2.2
157.10144	11.5
159.11679	9.7
161.09639	10.8
161.13277	2.6
163.07829	1.3
163.11215	4.7
169.10167	3.4
171.11708	4.7
173.09775	2.3
173.13261	4.0
175.11218	7.9
177.12755	2.9
183.11720	2.7
185.13306	3.5
187.11218	1.9
189.12784	4.5
189.40602	1.3
194.93765	1.8
199.14851	4.0
201.12518	1.9
203.14340	1.9
207.13821	4.2
213.12823	3.2
217.15826	10.6
219.13860	4.8
227.17943	3.8
231.17546	1.5
235.16969	1.7
237.16394	2.5
245.19029	5.6
255.17415	5.1
263.20016	2.3
273.18497	37.0
291.19556	100.0
291.27032	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	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05500	4.4
56.80538	1.2
57.07080	2.0
59.04993	1.4
67.05506	4.2
68.96532	1.3
69.07027	1.2
71.03277	2.6
71.04977	2.3
79.05489	4.4
81.07063	5.3
83.04993	1.9
83.08622	3.6
85.06553	1.3
88.09718	1.2
88.28412	1.2
91.05482	5.3
91.48161	1.2
93.07052	8.9
95.04964	3.7
95.08608	12.2
97.02874	1.4
97.06515	3.0
100.39942	1.2
105.07025	8.9
107.04947	4.7
107.08599	7.2
109.06528	6.8
109.10149	3.5
110.37505	1.4
111.08083	27.3
117.07037	1.8
117.43341	1.2
119.08601	7.4
121.06520	1.2
121.10159	5.4
122.07294	2.0
123.08079	32.7
131.08556	4.1
133.06461	1.9
133.10101	4.4
135.08086	5.5
135.11667	3.7
137.09590	3.9
139.07509	1.5
141.05423	1.8
145.10135	14.5
147.08043	2.3
147.11699	6.4
149.09633	5.8
151.07550	100.0
157.10098	2.0
159.08095	1.4
159.11711	4.0
161.09631	3.8
161.13223	2.6
163.11194	3.9
171.11700	3.1
173.09654	1.6
173.13258	5.0
175.11250	3.0
177.09186	2.1
177.12767	1.8
179.10693	5.6
187.11201	4.5
189.12749	28.1
191.10643	1.8
191.14330	5.5
191.80467	1.4
192.11456	3.1
197.11748	15.6
197.13387	1.6
203.14313	2.5
205.12238	1.9
207.13814	63.9
215.14323	4.4
217.12277	3.0
231.17491	3.4
233.15387	16.1
235.13286	2.7
255.17448	2.9
273.18530	7.5
291.19562	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03937	2.3
55.01653	0.7
55.01872	7.7
55.05512	24.0
57.03422	3.1
57.07068	1.7
58.24990	0.7
59.04971	0.8
65.03914	1.0
67.05173	1.4
67.05506	22.3
69.03439	6.5
69.06714	1.0
69.07064	11.3
69.93547	2.6
69.93964	1.3
70.06583	2.5
71.05000	1.7
71.06921	1.1
71.08599	0.7
77.03883	0.9
79.05494	32.2
81.03410	3.0
81.07058	38.5
83.04979	4.2
83.08632	9.8
85.06505	1.8
88.07617	2.4
89.07954	0.8
91.05481	22.7
92.66383	0.7
93.06470	1.2
93.07044	22.5
95.04967	17.4
95.08615	14.0
97.06535	3.0
97.10175	10.5
102.09173	2.1
103.05433	1.0
105.03360	1.7
105.04510	0.8
105.06378	1.3
105.07034	18.8
107.04958	8.6
107.08600	13.3
109.06519	5.0
109.10149	7.0
111.04441	1.3
111.08070	2.1
115.05443	2.7
116.06244	1.1
117.07024	15.9
119.04932	2.5
119.08583	30.0
121.06508	12.5
121.10133	7.0
123.08069	17.8
123.11702	1.7
125.09644	10.9
128.06200	2.7
129.06996	5.9
130.07788	1.0
131.08560	11.4
132.05736	1.2
133.06476	6.2
133.10132	5.2
135.08041	7.9
135.11688	2.0
137.09653	5.1
141.28670	0.7
142.07866	0.9
143.08565	6.2
145.06454	1.2
145.10130	11.8
147.08044	20.0
147.11716	2.4
149.09651	5.5
151.07556	1.2
153.09096	2.5
155.08568	0.9
157.10123	5.8
159.08044	1.8
159.11642	4.1
161.09634	5.8
161.13237	1.0
163.11177	6.7
165.09131	7.8
167.08615	1.0
169.10083	1.2
171.10251	0.8
171.11668	2.3
173.09674	1.3
175.11189	2.8
177.12808	1.2
183.10185	0.7
185.09602	0.9
185.13271	2.3
187.11172	1.5
187.13226	1.0
189.11201	7.7
189.12846	1.6
191.10844	0.7
193.12206	2.5
195.11678	1.3
199.11209	1.4
205.12102	0.8
213.12692	1.5
217.15933	0.9
223.13292	6.6
227.17966	2.3
228.23195	0.9
229.23543	7.0
231.13736	1.6
245.18988	3.0
249.14821	7.0
255.17403	4.8
263.20187	1.8
273.18497	38.3
291.19543	100.0
291.27127	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03931	5.9
55.01875	12.6
55.05513	28.5
57.03425	3.2
65.03915	2.5
67.05508	26.7
69.03430	5.9
69.07066	11.6
69.36133	14.0
71.04989	2.6
79.05496	60.3
81.03403	4.3
81.07062	60.9
81.61857	1.5
83.04969	4.0
83.08614	14.4
85.06571	1.8
91.05486	40.8
93.07049	35.0
95.04967	20.9
95.08606	21.1
97.06531	2.4
97.10167	14.3
98.20717	3.2
98.21400	4.3
98.98433	1.8
103.05489	2.5
105.03385	5.0
105.07035	27.3
107.04960	17.3
107.08591	25.0
109.06524	10.1
109.10155	10.6
111.08107	5.0
115.05470	4.9
117.07017	30.5
119.04938	5.0
119.08587	57.3
121.06513	29.1
121.10131	13.4
123.08077	6.9
123.81470	1.7
125.09640	15.0
125.67551	1.4
128.06229	2.6
129.07016	10.6
130.07774	2.5
131.08580	20.3
132.40779	1.6
133.06474	8.2
133.10138	6.9
135.08044	13.4
135.11726	4.1
137.09641	4.3
137.39175	1.9
143.08569	11.7
143.10588	1.8
145.06499	2.5
145.10124	26.7
147.08049	32.0
147.11716	3.8
149.09660	13.6
149.13228	2.5
151.07562	4.2
155.04964	1.5
157.10133	10.2
159.08015	4.3
159.11662	7.3
161.09641	10.9
163.11151	5.9
169.10159	2.3
171.08047	1.9
171.10274	2.2
171.11719	6.5
173.09679	1.8
175.11195	4.5
181.10088	1.9
185.09654	2.3
185.13261	4.3
189.09122	2.1
189.11234	8.4
189.12694	1.9
195.11752	2.9
207.13768	3.6
213.12852	4.1
213.16476	2.4
223.13220	5.5
227.17900	3.7
231.13867	3.1
237.16304	3.9
245.18959	4.4
249.14867	18.6
255.17494	7.6
273.18506	45.7
284.91983	1.6
291.19562	100.0
291.23016	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	291.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.4
58.06602	0.5
61.01150	17.1
64.24294	0.3
70.06563	0.5
70.28447	1.2
70.56426	0.4
79.81490	0.4
82.43150	0.3
84.04498	1.0
84.08143	88.0
86.06127	0.4
86.09731	0.7
98.20988	0.7
102.80523	0.3
110.79604	0.4
116.05339	0.3
119.26637	0.3
132.08426	100.0
147.04407	0.7
176.05292	0.4
198.11269	1.1
215.13969	1.7
246.11494	1.1
291.17365	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	4.6
55.01878	8.8
55.05511	16.9
57.03436	13.0
57.07060	4.7
65.03944	3.0
65.24405	1.1
67.05507	28.0
69.03429	7.8
69.06773	1.0
69.07073	12.4
70.06600	7.5
71.04996	5.3
71.06905	3.0
71.08609	1.1
71.58346	1.4
72.08159	1.6
75.14654	1.1
77.03948	1.3
79.05057	2.1
79.05492	37.4
81.03414	8.1
81.07059	35.3
83.04994	10.1
83.08618	7.5
84.08186	1.3
85.06544	3.9
87.00806	1.2
88.07643	7.6
91.04971	2.2
91.05487	31.2
92.06310	1.1
93.07052	29.5
95.04979	10.2
95.08049	1.4
95.08614	19.7
97.06528	9.8
97.10164	2.4
99.08125	2.3
102.09163	4.0
103.05422	1.3
105.03391	1.6
105.06375	2.1
105.07036	26.5
107.04962	17.3
107.08601	20.2
109.06524	32.2
109.10161	7.3
111.04435	2.0
111.08071	3.4
115.05440	2.4
116.07110	1.5
117.07035	15.2
119.04917	2.3
119.08582	17.6
121.06499	14.8
121.10152	11.6
123.08083	10.2
123.11688	3.1
125.09659	1.6
128.06192	2.4
129.07007	8.6
130.06517	1.9
130.07802	2.0
131.08568	21.1
133.05618	1.2
133.06488	6.7
133.10133	10.7
135.08061	32.8
135.11671	5.8
137.09552	2.5
139.07526	1.4
141.06982	2.0
142.07745	2.3
143.08565	9.0
145.06473	1.3
145.10126	14.4
147.08064	13.0
147.11673	7.2
148.08836	1.2
149.09628	20.4
149.13268	2.2
151.07527	4.2
155.08545	1.8
156.09306	1.6
157.10135	8.4
159.08070	2.2
159.11664	7.5
161.09567	9.7
161.13193	1.6
163.11172	5.1
171.08148	1.3
171.11700	4.9
173.09631	2.4
173.13319	2.6
175.11169	4.9
175.14894	1.3
177.12811	5.2
181.10146	1.5
183.11772	1.5
185.13252	4.3
187.11125	1.3
189.09145	2.5
189.12697	3.4
194.32845	1.1
195.11765	2.2
195.13895	1.5
199.14796	2.6
201.12799	2.7
203.14322	2.0
207.13831	3.2
209.13164	1.4
213.12729	7.4
217.15929	8.3
219.13779	3.2
227.18001	2.2
228.23215	2.1
229.23563	13.8
231.10234	2.6
231.13832	4.2
232.04068	1.2
237.16464	2.4
245.18954	5.6
249.11308	1.5
249.14821	2.2
249.18279	1.1
255.17419	3.3
273.15375	1.8
273.18484	34.7
273.26205	1.7
291.19550	100.0
291.27173	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
53.52293	0.6
55.05509	0.8
55.23045	0.6
56.05001	0.8
57.03428	0.6
58.99606	0.7
61.01134	1.4
62.99078	0.8
65.00634	1.4
67.05483	0.8
68.05024	11.7
69.03437	1.6
69.05783	0.8
69.07059	8.8
70.06587	12.6
71.58092	0.8
72.08138	1.5
79.05500	1.0
81.07034	0.9
84.04514	4.1
84.08138	2.6
85.01127	1.7
85.02880	0.7
86.09704	100.0
87.02691	16.4
91.05480	1.2
93.07040	0.9
95.01313	0.7
96.04472	3.3
96.08125	0.6
98.06049	1.1
98.09711	0.7
98.98481	0.6
102.05553	1.2
105.03732	0.9
105.07001	0.7
113.48249	0.7
116.01709	1.3
116.05323	1.5
117.03724	17.4
119.04887	0.7
119.08524	1.4
120.08120	1.5
123.08042	0.9
124.02108	0.6
125.07121	0.8
130.03229	1.3
130.04988	2.4
130.06535	2.0
132.10201	40.1
134.06349	8.4
134.09560	0.9
142.03287	0.8
145.02875	2.2
147.04347	0.7
147.11667	0.7
148.06026	1.2
150.82599	0.8
155.06328	1.0
160.04269	21.8
160.05547	1.2
162.12868	0.7
171.08011	0.7
176.14380	1.1
177.05467	1.2
181.13324	3.2
182.14299	0.6
185.07297	2.0
189.09076	1.0
199.08781	0.9
209.12862	1.7
213.12817	1.3
214.07373	0.9
227.08534	3.1
227.11955	0.9
227.13831	3.1
231.13803	1.4
245.05962	1.2
245.13182	8.0
249.11365	0.9
273.08676	2.4
273.12531	1.4
273.17566	0.9
291.06570	8.5
291.09839	4.0
291.13498	1.9
291.16611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01867	4.4
55.05513	6.1
57.03433	9.3
59.04988	1.4
61.02922	4.4
67.05505	5.4
69.03420	1.9
69.05811	2.9
69.07072	32.0
70.06591	67.9
70.25745	1.4
70.84105	3.6
71.04996	3.7
72.70635	1.3
79.05492	22.4
81.07053	9.0
85.06574	3.3
87.02704	2.5
87.08128	1.7
89.03892	8.0
91.05472	4.4
93.07052	2.1
95.04978	4.5
95.08566	1.4
97.06534	93.4
98.21146	1.8
100.02206	2.9
103.05475	4.7
105.07033	1.6
107.04932	4.5
111.08083	4.6
112.08864	1.9
115.05496	1.9
116.05335	12.9
116.07089	53.9
117.03345	10.2
119.08572	1.9
123.08067	1.7
128.06242	2.0
129.07005	3.7
129.09116	4.5
130.03224	18.7
131.04950	3.5
133.02875	9.1
135.04404	16.1
141.07005	1.7
145.02841	9.1
145.10141	2.4
147.04440	3.4
148.02478	3.4
151.07542	2.3
157.06444	2.3
158.02725	12.1
159.04407	9.5
159.08057	2.6
161.02341	39.1
163.03908	64.9
171.04381	1.6
173.02342	77.8
176.02019	3.3
177.05487	3.0
179.03419	4.8
185.06029	7.0
187.03923	3.2
187.07607	3.5
191.03400	38.7
195.07967	2.3
199.03709	1.7
199.07527	2.8
205.04993	4.0
213.09146	3.0
215.07024	100.0
217.04980	6.9
223.07535	2.3
229.08693	2.3
233.08096	28.7
233.15453	2.1
241.06586	1.6
241.08612	10.2
243.08037	3.7
248.73254	1.4
259.09662	41.0
273.11276	2.0
273.18631	1.6
291.08356	29.1
291.12241	4.6
291.19504	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	291.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26124	3.3
53.03941	5.5
55.01866	16.2
55.05510	34.2
55.54029	3.3
57.03430	13.2
65.03948	9.2
67.05508	39.1
69.03427	8.3
69.07069	33.7
70.06593	65.5
71.04993	14.0
71.58282	5.2
72.38233	3.2
79.05502	49.0
81.03413	7.8
81.07055	60.9
83.05042	3.9
83.08617	13.8
85.06540	6.8
89.03893	5.6
91.05500	40.4
93.03088	4.4
93.07054	39.3
95.04975	13.2
95.08621	39.4
97.06526	50.3
97.10160	8.3
98.98464	5.2
100.02131	3.4
103.05471	7.6
105.07041	30.2
107.04974	12.7
107.08611	38.8
109.06528	11.1
109.10154	13.8
111.08099	13.4
113.31377	3.6
115.05421	5.4
116.05315	9.4
116.07099	39.4
117.03725	6.5
117.07033	11.5
119.08584	28.0
120.08125	5.0
120.58485	3.7
121.06563	5.8
121.10155	21.8
123.08053	7.4
123.11725	7.0
129.07033	13.4
130.03238	14.9
131.04941	10.4
131.08574	15.5
133.02856	12.5
133.06459	8.5
133.10130	9.0
135.04427	10.0
135.08047	12.4
135.11671	10.4
137.09592	4.3
141.07010	5.1
143.08560	9.1
145.02827	7.9
145.06563	4.2
145.10136	14.6
147.04465	6.1
147.08037	8.7
147.11685	8.5
149.09607	14.0
149.13312	14.3
151.07555	10.0
156.09366	4.1
157.10156	11.2
158.02740	6.4
159.11658	5.2
161.02336	9.1
161.09651	6.2
161.13231	4.9
163.03906	41.8
163.11189	4.9
167.08499	3.7
171.11603	6.5
173.02368	38.4
174.08145	4.0
175.11188	5.9
177.05495	7.5
184.05145	4.4
185.05959	4.6
185.09583	5.6
189.09123	6.1
189.12772	5.9
189.16425	3.7
191.03409	66.9
195.08012	10.2
199.04018	4.0
204.04199	5.0
205.05011	11.7
207.13829	7.3
213.12782	7.1
215.07027	41.9
217.04976	32.7
217.15808	5.5
229.08575	4.3
231.10143	4.9
233.08076	47.7
236.93016	3.9
241.08548	25.0
249.11229	6.2
259.07016	3.9
259.09674	78.1
273.11063	8.0
273.18430	37.3
291.08176	13.4
291.12738	8.1
291.16241	3.7
291.19479	100.0
291.26801	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2115
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.01861	0.3
55.05511	1.3
57.03445	0.3
57.68876	0.2
59.04988	0.8
62.94045	0.2
67.05491	0.3
69.06714	0.4
69.07069	4.5
69.59370	0.2
70.06587	0.3
70.77483	0.5
71.05010	0.2
71.15307	0.2
73.06560	2.0
79.05473	0.4
81.07053	0.4
83.04979	0.4
84.04496	0.7
91.05486	0.5
93.07030	0.3
95.08600	0.3
97.06498	0.2
101.04246	0.7
106.06539	0.2
107.08598	0.2
112.02209	0.2
117.03770	0.3
118.06544	16.0
119.07349	0.5
119.08597	0.2
130.06537	0.3
131.08522	0.2
132.08086	5.7
133.08890	3.0
134.09671	1.0
135.08163	0.2
146.09636	5.6
146.10759	0.3
147.10461	0.6
148.11142	0.2
160.11220	0.5
161.11972	0.3
176.14351	77.4
177.14680	0.8
187.84448	0.2
209.84155	0.2
216.13882	0.4
224.05756	0.2
230.12524	0.3
231.72585	0.2
234.14917	0.5
246.14810	0.2
247.15620	0.4
248.13644	0.6
290.21143	100.0
291.21707	1.4
309.83511	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1751
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.05515	1.8
56.05035	4.5
56.30129	0.3
56.96568	0.6
57.07074	2.9
58.06602	2.2
60.04523	1.0
65.03938	1.7
67.04216	0.4
67.05505	7.9
68.05045	0.4
69.07070	4.4
69.90273	1.0
69.90684	0.8
69.92908	0.3
71.08627	1.3
74.06084	3.4
79.05508	2.4
81.07050	1.7
82.06568	2.7
83.04969	0.9
83.08642	0.7
86.06073	0.4
88.07631	15.5
91.05494	0.9
93.03400	1.7
93.07060	2.7
95.08598	1.0
96.08972	0.4
97.06547	2.5
98.20863	0.7
98.21408	0.5
107.08589	2.5
109.06473	0.6
109.10169	1.0
110.06046	28.7
111.04443	9.5
117.06999	0.6
118.08662	2.4
122.08138	2.0
123.04435	1.9
133.10110	0.5
135.11708	3.7
137.06055	0.5
138.05504	100.0
145.06494	0.6
161.05959	0.5
163.07530	1.7
168.13882	0.6
175.07562	0.6
177.09157	0.4
178.09412	0.5
216.11020	0.5
226.11169	1.0
230.12683	0.4
242.22318	0.8
242.24796	12.3
244.12173	0.4
272.25815	0.6
273.14893	0.4
290.17633	6.2
290.26889	34.1
291.19586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2113
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.01871	1.3
55.05496	0.9
57.07068	0.9
59.04978	0.3
67.05498	0.5
69.03428	0.3
69.07063	2.4
69.39171	1.4
69.39583	0.3
70.06593	2.4
71.08612	0.3
73.02922	3.2
73.06564	1.8
79.05476	0.5
81.07049	0.4
83.04984	0.7
84.04500	1.9
84.05295	0.3
84.08125	0.4
84.08937	0.2
85.02906	0.3
85.10104	0.2
88.07627	2.0
92.36349	0.2
93.07060	0.4
95.08607	0.3
97.06529	0.5
97.59368	0.2
101.04211	0.3
103.03920	0.2
105.07026	0.4
106.08678	0.4
107.08578	0.5
108.04485	0.2
114.09162	0.7
117.07047	0.2
118.06541	12.0
119.07346	0.5
126.05504	0.3
130.06514	0.4
130.43863	0.2
132.08084	4.1
132.10201	2.3
133.08858	2.2
134.09644	1.1
144.08061	0.3
146.09647	3.7
147.10426	0.4
150.11287	2.1
160.11140	0.3
176.14349	44.7
177.14754	0.4
202.15935	0.9
212.11633	0.4
228.23035	0.3
229.07967	0.4
229.23463	0.2
230.08286	1.8
230.12575	0.6
232.13341	1.0
246.14891	1.3
246.24315	0.6
248.13687	1.6
254.22911	0.2
260.16458	0.7
273.09827	0.2
290.21146	100.0
290.26328	10.9
291.21664	1.4
291.26804	0.2
297.89914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
54.11938	0.8
55.01864	3.6
55.05505	3.1
56.05033	5.3
57.03418	1.0
58.99583	7.3
61.01138	0.8
62.06080	1.2
64.15378	0.8
67.05499	2.9
68.05020	1.4
69.07055	2.7
70.02944	2.2
70.06595	5.1
71.04996	1.0
72.08154	3.4
74.00655	3.6
76.02217	3.2
79.05502	7.3
80.05004	1.8
81.03402	1.7
81.05684	1.0
81.07062	13.4
82.06578	1.7
83.04969	2.0
84.04508	4.9
84.08124	5.3
84.55177	0.8
85.01131	14.7
86.00653	42.2
86.09682	2.9
86.99033	2.8
87.02690	13.8
88.02213	1.8
88.03996	3.1
91.05468	3.2
93.07049	2.0
95.04958	1.3
95.08601	4.1
96.04478	1.5
96.08121	1.2
97.01102	1.1
97.06445	1.0
98.09676	9.4
100.02202	1.8
102.03767	1.2
103.05447	0.9
105.00095	1.0
105.03393	1.1
105.07024	2.2
107.08608	1.7
110.07147	2.1
110.09652	1.7
112.75957	0.8
113.04240	11.5
115.05767	1.3
117.07050	0.9
118.47868	0.9
119.04938	2.0
120.01158	1.9
120.08091	2.5
121.10100	1.1
122.02730	1.4
122.09660	2.5
123.04387	1.2
123.08070	4.0
123.10422	1.3
126.05473	0.8
129.10255	1.7
129.63638	0.9
130.04990	1.3
130.06755	1.8
130.09758	1.0
131.01627	1.9
132.01155	54.4
133.02837	2.5
138.09109	1.1
144.04437	2.1
147.04434	4.5
156.08429	27.1
159.04755	35.4
169.08589	1.2
176.00191	0.9
176.07295	1.0
185.06273	1.2
190.04398	1.5
198.09450	2.8
202.08972	100.0
203.03389	1.1
210.14989	6.0
218.97389	1.2
226.08984	21.6
228.15930	7.4
230.12613	1.2
231.02901	2.0
244.07607	1.1
244.10022	16.3
246.17062	14.8
262.08649	2.1
272.09473	18.6
272.18430	4.0
273.12231	2.1
290.05841	2.5
290.07516	1.6
290.10574	18.8
290.19754	1.4
291.13184	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25789	0.4
53.03934	0.6
55.01875	0.8
55.05499	1.3
56.05045	2.5
57.03434	2.9
60.04515	1.5
61.02929	3.6
68.05029	0.7
68.99776	3.2
69.03436	1.2
69.07065	0.8
69.41908	1.2
69.42336	2.7
70.06588	3.2
71.05003	0.6
73.02911	2.9
79.05495	0.5
80.05034	0.5
81.03443	2.6
84.04506	100.0
85.02905	13.6
86.09702	0.8
87.00833	6.8
96.04494	1.7
97.02904	2.1
97.06530	1.4
98.06054	2.4
98.21252	1.8
99.04452	0.8
103.03942	15.8
105.01875	2.3
108.04484	1.6
109.02890	2.5
110.06055	1.4
110.31061	0.5
116.07111	1.3
121.54396	0.5
126.05521	18.9
127.03870	2.5
129.01855	5.9
144.06564	0.8
147.02864	3.1
156.06577	1.0
158.02672	0.5
159.71877	0.4
161.02380	1.1
163.03825	0.5
168.06554	5.2
171.02942	1.5
173.02313	0.7
185.62297	0.5
186.07626	3.2
189.03952	6.1
191.03348	0.5
203.10664	0.5
204.08708	3.0
213.04004	0.6
215.07031	1.4
228.08690	0.7
229.01738	0.5
244.07672	0.6
262.08633	0.8
272.07614	3.1
274.10565	0.8
290.05035	1.7
290.08673	14.4
290.13492	3.2
291.08530	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.02385	0.9
53.03942	4.5
55.01863	4.8
55.05510	18.4
57.03436	7.7
57.07066	3.4
65.03937	1.4
67.05504	17.1
69.03417	1.7
69.05794	1.3
69.06715	1.9
69.07068	24.0
69.94687	3.3
70.06596	1.7
71.04974	2.6
71.08627	1.2
71.63700	1.0
77.03901	1.7
79.05489	13.2
79.19859	0.8
81.03403	2.3
81.07054	45.3
83.04979	6.2
83.08615	9.1
84.04478	1.2
84.08155	1.9
85.06547	3.4
86.09711	5.7
86.27481	0.8
87.02692	1.6
91.05479	21.6
93.07043	100.0
95.04964	10.9
95.08610	33.9
95.09225	1.2
97.06531	10.9
97.10159	5.6
98.21055	2.3
99.08102	2.8
103.05457	0.8
105.04533	1.5
105.07027	16.7
107.04958	2.3
107.08595	27.5
109.06536	4.6
109.10153	24.0
111.08083	4.5
113.09651	1.1
115.05497	1.5
116.05307	1.5
117.07004	4.9
119.08578	26.2
121.06506	3.7
121.10145	19.5
123.08053	2.6
123.11710	12.6
125.09612	2.4
127.11249	1.7
129.07021	2.4
131.04927	1.0
131.08580	5.7
133.06479	1.9
133.10143	7.5
135.08064	4.2
135.11699	12.5
137.09544	1.4
137.13264	3.6
139.11194	3.3
145.06445	1.6
145.10104	10.4
147.08026	3.7
147.11703	10.4
149.09610	2.6
149.13254	10.9
151.14795	1.0
155.08574	2.7
157.06526	1.0
157.10104	1.5
157.25591	1.0
159.08049	16.0
159.11694	11.1
161.02446	1.0
161.09627	2.2
161.13246	8.3
163.03906	1.8
163.07466	1.7
163.11162	2.2
163.14787	5.5
165.12762	1.6
169.10065	1.1
171.11775	1.6
173.06046	1.1
173.09549	2.2
173.13255	5.3
175.14845	4.8
177.09122	2.9
177.12773	1.1
177.16403	2.5
178.02750	1.0
179.17972	1.6
182.46971	0.9
183.11678	1.6
187.14868	2.6
189.12830	1.4
189.16403	3.3
191.17967	5.2
193.04991	2.8
195.17451	4.1
201.12697	1.8
201.16449	4.0
203.17932	1.7
203.98183	1.0
211.11192	1.5
215.14474	0.9
215.17987	10.0
217.19548	1.4
229.12297	3.5
229.15863	1.3
229.19637	1.6
231.21031	2.2
232.49185	0.8
245.08104	1.1
247.13373	5.1
253.15897	2.7
261.18481	1.4
271.16925	7.5
271.24142	14.5
289.06247	5.9
289.10608	2.7
289.18036	19.3
289.21844	1.7
289.25244	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	289.2525
Annotation	Epoxycembrene A
Peak:m/z	Relative Intensity
53.50624	0.3
55.01867	0.5
55.05507	3.2
57.07058	1.3
65.32314	0.3
67.05504	2.6
68.48516	0.3
69.03413	0.7
69.06715	0.4
69.07069	5.9
70.64642	0.5
70.64992	0.4
71.08618	0.7
76.83212	0.2
79.05501	2.5
81.06622	0.5
81.07056	4.1
83.04992	2.2
83.08620	2.0
85.06551	0.9
88.07601	0.3
91.05460	1.9
93.07043	4.8
95.04993	1.5
95.08602	3.3
97.06532	0.4
97.10165	0.5
99.08140	0.4
99.31507	0.2
105.04559	0.3
105.07036	3.4
107.08604	3.6
109.06518	2.8
109.10176	1.5
111.08067	0.6
116.65940	0.3
117.03811	0.2
117.06993	0.7
119.08582	2.0
121.06512	3.7
121.10161	2.0
123.08065	1.4
123.11709	1.0
125.09629	0.4
131.08566	1.4
133.10135	1.5
135.08066	2.9
135.11690	1.3
136.08817	0.6
137.09618	0.4
143.08548	0.4
144.09302	0.3
144.94550	0.3
145.06482	0.3
145.10120	1.2
147.08095	0.8
147.11679	0.9
149.09628	1.1
149.13313	1.0
157.10214	0.3
159.08026	0.4
159.11720	1.1
161.09648	0.6
161.13235	0.9
163.11237	0.8
163.14845	0.5
165.12741	1.1
168.09370	0.4
173.13260	0.7
175.11214	0.4
175.14818	0.4
177.12764	3.4
177.16328	0.4
179.14340	0.4
183.11726	0.7
187.14873	0.3
189.12825	0.3
189.16405	0.7
191.14268	0.8
191.17961	0.4
196.08833	0.5
201.12791	0.6
203.34113	0.3
205.15929	0.8
210.24315	0.3
215.18077	0.4
229.12239	1.5
247.13277	2.0
261.25928	0.4
271.24231	1.1
289.25266	100.0
290.25623	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	Gibberosin M
Peak:m/z	Relative Intensity
52.77136	2.9
55.05515	19.4
57.07072	17.0
67.05504	22.3
69.03425	5.6
69.07066	46.4
71.05011	3.3
71.08636	10.9
71.58607	4.7
74.37776	2.6
76.21970	2.9
76.53035	2.8
79.05497	14.6
81.07063	29.4
83.04989	31.0
83.08638	9.3
85.06557	4.6
85.10173	3.7
87.90839	3.1
91.05480	29.2
93.07043	31.2
93.07905	2.9
95.05016	9.9
95.08607	43.6
97.06549	10.6
101.06029	3.1
105.07036	33.4
107.08583	23.9
109.06558	7.2
109.10143	21.5
113.61261	3.0
117.07030	11.1
119.08583	60.3
119.09338	4.6
121.10136	16.6
123.08129	5.9
123.11703	39.7
123.12419	3.2
129.07031	10.0
131.08563	24.0
133.10121	42.7
135.11739	9.1
137.09692	5.6
142.07758	5.0
143.08556	17.1
144.09375	4.2
145.10146	42.9
147.08119	6.9
147.11703	19.9
149.09692	6.0
149.13225	6.8
157.10101	21.2
158.10942	4.4
159.08080	3.6
159.11710	30.0
160.12502	6.1
161.13272	40.5
165.09142	6.7
165.74500	3.5
169.10223	6.9
171.11787	12.1
173.09755	5.0
173.13240	22.8
175.11226	3.5
175.14835	72.3
175.16257	4.4
176.15617	6.4
177.16534	5.9
183.11784	8.0
185.13344	10.3
187.14908	13.5
189.06065	3.1
189.12849	4.6
189.16489	5.4
197.13269	6.6
201.12747	7.2
201.16389	20.4
205.12277	3.0
211.14925	3.3
213.16423	8.0
215.14424	9.9
215.17973	20.4
227.18085	13.6
233.13383	4.5
233.15552	5.9
238.28270	3.1
243.21056	23.7
245.19176	9.7
253.19627	5.1
259.14996	7.1
271.20584	24.3
274.17139	4.1
289.19171	7.6
289.21805	100.0
290.24823	3.7
307.54053	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	289.2161
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
53.00312	0.7
53.03941	2.5
55.01871	2.1
55.05514	25.8
57.03432	1.0
57.07078	3.5
59.04980	0.8
65.03932	1.2
67.05170	0.9
67.05508	14.9
69.03428	4.2
69.07067	12.9
71.04984	2.0
71.08620	2.0
73.06538	1.0
77.03879	0.7
79.05496	22.6
81.07062	22.0
83.04977	3.0
83.08630	6.9
85.06537	2.8
91.05483	23.3
93.06464	1.4
93.07049	27.1
95.04974	4.0
95.08044	1.0
95.08613	15.3
97.06510	2.2
97.10179	4.2
98.21295	2.7
99.08089	0.8
103.05446	1.8
104.54247	0.6
105.04549	0.7
105.07036	40.4
107.04964	1.7
107.08601	25.7
109.06524	9.7
109.10168	4.9
111.08057	1.5
115.05417	0.9
117.07011	6.1
119.08587	33.0
121.06510	28.5
121.10142	9.1
123.08061	4.6
123.11678	2.0
125.09628	1.9
127.07542	1.0
128.06233	0.7
129.06973	2.9
131.08571	14.8
133.06476	1.0
133.10138	15.8
133.23198	0.6
135.08063	17.5
135.11679	4.0
137.09619	0.9
137.13264	0.9
141.06979	1.2
143.08565	2.2
144.09355	1.0
145.10114	12.2
147.08040	3.2
147.11703	10.7
149.09612	2.6
149.13249	4.5
151.11171	0.7
155.08545	1.7
157.10118	3.5
159.08070	1.2
159.11705	9.7
161.09608	2.2
161.13261	10.9
163.11188	13.1
163.14832	2.3
164.11678	0.7
165.12698	4.0
169.10115	2.5
171.11702	1.8
173.09668	1.3
173.13257	5.7
175.11194	1.6
175.14847	4.8
177.11182	1.1
177.12752	23.1
177.16371	1.3
183.11728	4.0
185.13248	1.0
187.11089	1.5
187.14828	4.6
189.12785	2.8
189.16437	3.3
191.14319	3.3
193.58203	0.6
197.13171	3.7
201.12750	2.6
201.16402	1.1
203.14328	2.3
205.15862	2.0
211.14845	1.0
215.14337	2.6
219.13724	1.1
229.12193	1.2
229.15884	1.5
233.15414	2.4
233.22687	1.7
239.17834	1.5
243.21065	3.9
247.13327	2.4
247.16977	2.1
253.19522	2.5
257.19058	2.4
261.22150	25.7
271.20541	7.2
289.13327	2.6
289.21628	100.0
290.21829	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1798
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
55.01862	9.9
55.05513	44.4
56.96556	2.7
57.03444	13.7
57.07065	6.3
57.43443	2.1
59.04994	3.1
67.05505	20.6
69.03435	4.9
69.07058	12.2
70.06586	4.2
71.58231	2.9
71.58596	2.9
79.05494	35.1
81.03426	2.5
81.07055	28.4
83.04982	10.7
83.08619	15.5
85.06512	2.9
85.92556	2.0
88.07645	12.3
89.07954	5.1
91.05479	22.8
93.07048	22.1
95.08619	12.5
97.10188	24.3
101.04179	2.3
103.05449	2.0
105.07037	22.4
106.08678	16.1
107.08543	23.4
109.06493	5.7
109.10148	9.6
111.08138	4.7
115.05454	17.0
117.07021	69.2
119.08579	20.4
121.06504	9.5
121.10107	3.8
123.08103	2.4
125.09616	16.1
128.06194	4.1
129.07007	10.8
130.06499	5.9
131.08575	14.5
133.10133	9.6
135.08035	12.6
135.11714	3.3
141.06978	2.8
142.07722	4.0
143.08543	17.1
145.06485	69.0
145.10107	8.8
147.08092	5.0
147.11758	3.3
149.09578	2.4
155.08545	7.6
157.10155	12.1
159.08070	7.3
159.11702	4.8
160.07559	7.4
161.09621	4.7
161.13229	3.0
163.11234	3.2
165.12717	3.1
168.09406	2.9
169.10149	5.5
171.11661	4.5
172.08856	3.0
173.09590	4.7
173.13216	3.8
175.11087	2.7
175.81551	2.0
177.12807	5.5
182.33821	2.2
183.11652	7.4
185.13239	2.6
187.14833	3.3
189.11186	7.9
189.12715	3.7
191.10605	2.2
197.13246	6.7
201.12782	4.4
211.11218	3.5
215.14305	9.4
225.16418	12.1
229.12314	11.9
235.14807	4.0
243.17342	6.5
247.13361	10.8
253.15842	8.2
256.09982	3.0
257.10571	4.0
261.22067	3.8
271.16953	100.0
289.06253	3.2
289.13483	9.2
289.18045	14.9
289.21616	32.9
289.25397	6.0
289.29260	9.6
307.15735	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1546
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
51.21396	0.3
53.34602	0.4
55.01857	0.6
55.05498	1.2
57.03436	0.5
67.05487	0.9
69.07046	1.7
69.58507	1.1
69.58941	1.5
70.06586	0.5
79.05489	2.6
81.07056	1.9
83.04977	0.9
83.08672	0.5
84.04510	0.4
85.06492	0.4
86.09686	0.6
91.05479	5.3
92.06257	0.8
93.07038	3.2
94.06559	1.7
95.04975	0.5
95.08604	2.0
96.08119	2.6
97.06521	1.5
98.21174	1.1
104.05026	0.5
105.05801	0.6
105.07026	1.3
106.06561	2.2
107.08584	1.3
108.08096	0.9
109.06509	0.7
109.10130	0.8
116.05003	0.8
117.05752	1.0
118.06536	5.9
119.08562	1.3
120.08100	12.9
121.10129	0.8
122.06039	0.6
122.09676	0.7
123.11730	0.5
124.07591	11.3
126.09164	0.9
129.75313	0.4
131.95659	0.6
133.10168	0.5
134.06012	6.7
135.11722	0.5
136.07581	6.5
138.05508	2.5
145.10110	0.8
146.05978	5.3
147.06775	2.2
147.11736	0.5
148.07571	11.8
149.96736	0.6
150.09161	0.8
152.07094	0.8
159.08069	0.9
161.09572	0.5
161.13232	0.6
163.03882	0.6
164.07065	100.0
165.07761	1.4
166.08630	2.7
172.07570	0.9
177.09134	0.5
180.06644	0.6
200.10776	1.2
202.12192	0.5
214.11008	0.8
215.15477	1.5
216.10217	2.2
225.13980	0.5
226.04301	0.4
229.13356	1.4
243.14922	4.9
245.16492	2.4
253.13344	1.2
254.11887	1.1
271.14410	22.7
271.24225	0.6
289.15451	75.6
289.25256	1.6
290.15744	0.7
304.80042	0.4
313.04126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.6
55.51518	0.4
60.79071	0.5
67.05492	0.8
69.03416	0.9
69.07059	0.7
70.06561	0.8
70.06941	2.0
79.05482	1.4
80.05011	0.5
81.07064	2.4
83.04980	5.2
84.02615	0.4
84.04498	0.9
86.09691	0.8
91.05482	4.8
92.06215	0.4
93.07059	1.1
94.06559	1.1
95.04952	1.0
95.08575	0.9
96.08131	2.1
97.06506	0.6
103.05570	0.5
104.04992	0.5
105.07037	0.8
106.06542	2.2
107.08562	0.6
108.08099	0.7
109.06516	1.1
116.04974	0.6
117.05745	1.7
118.06550	4.9
119.07314	0.7
119.08566	0.8
120.08107	13.6
121.10120	0.6
122.09698	0.7
124.07603	10.8
126.09137	1.7
134.06024	5.5
136.07582	6.7
138.05519	1.9
138.09050	0.6
144.08061	0.7
145.06470	0.6
146.05981	5.4
147.06851	2.1
147.07922	0.7
148.07573	10.4
150.09116	1.0
155.08606	0.6
157.10109	0.8
159.08041	1.0
160.62723	0.5
161.13283	0.5
164.07071	100.0
165.07697	1.4
166.08688	3.0
168.09351	0.9
173.13173	0.5
183.11723	0.8
193.00420	0.5
196.08832	1.0
199.11238	0.4
200.10754	0.9
201.12791	2.0
211.11169	1.4
214.11237	0.6
215.15448	1.5
216.10217	2.0
225.13878	0.5
226.12161	0.8
228.10214	0.6
229.12090	4.3
232.09853	0.4
243.14955	5.0
245.16542	1.9
247.13272	8.3
253.13399	1.2
254.11818	1.3
256.10049	0.8
257.10727	3.6
258.11731	0.5
271.14426	21.1
273.10251	0.6
289.15500	69.3
290.15924	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	9.3
58.99873	1.3
60.05648	4.0
61.74375	1.4
69.74528	7.6
70.06593	17.3
70.60288	1.6
70.99849	2.1
71.06924	3.8
72.08176	2.2
82.06593	2.7
82.99841	2.5
83.04970	2.2
84.08147	4.8
85.15955	1.2
86.09711	5.3
86.86135	1.2
86.99358	1.4
87.05607	1.4
92.93259	1.2
93.79000	1.2
95.06113	1.8
97.01407	2.3
97.39084	1.3
98.06046	1.2
98.97591	8.3
101.00883	35.5
103.02391	1.1
110.97597	2.0
113.00833	3.4
115.02422	16.4
116.98639	5.1
119.01922	100.0
125.07113	1.3
126.24058	1.4
128.98604	4.5
129.00354	1.4
129.04002	2.7
129.10216	1.8
131.00241	1.3
131.01906	13.2
133.03470	36.7
134.99704	1.6
135.05049	2.0
137.02966	15.7
143.01906	13.1
143.08243	1.4
144.99831	3.6
145.03450	6.7
146.99640	4.2
147.01405	7.6
147.05052	5.5
149.03017	2.2
151.04538	6.2
157.03459	4.1
158.09221	1.5
159.01328	1.5
161.02956	46.9
162.03108	1.7
165.00848	1.7
168.99779	8.5
171.01384	11.1
171.23108	1.3
172.94342	3.6
173.03009	8.8
174.99191	3.1
175.00894	4.2
175.04596	2.8
175.11928	3.1
177.00954	1.6
179.04079	3.0
180.99927	2.0
185.03003	4.8
186.99258	2.7
187.00880	23.7
189.02469	17.9
190.95520	2.6
191.02466	1.8
191.04016	9.3
193.00217	1.8
193.03596	1.9
196.99390	3.9
199.00870	15.1
201.02386	6.8
203.04021	1.9
205.01945	11.0
207.03529	4.1
208.96480	2.4
215.00375	18.9
216.97044	2.3
217.01956	34.8
219.03473	13.0
227.03867	1.5
229.01971	6.0
229.12230	3.1
231.03610	4.4
233.01495	3.0
235.03009	3.2
246.98238	2.0
247.03032	20.4
247.13251	2.7
250.32404	1.3
253.05807	1.3
257.01517	1.7
259.03085	1.8
265.03998	6.7
274.97443	2.3
277.03870	3.0
289.04117	14.6
289.07144	2.0
289.15945	2.3
289.17688	2.9
289.20645	16.0
292.98584	1.3
306.96457	1.7
307.05521	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
56.96553	2.9
57.03433	1.4
58.99855	2.0
60.05661	1.5
61.02929	1.5
69.03425	2.3
69.77627	3.3
70.06594	6.8
72.08153	1.4
73.02905	3.5
81.03419	0.9
82.99860	2.2
84.04433	0.8
84.08133	3.5
85.01421	0.8
85.02908	4.4
87.97754	0.8
91.02450	0.8
94.92987	2.4
97.01379	1.7
97.02877	2.3
97.06511	0.8
98.20827	1.6
98.97568	2.5
101.00888	30.5
103.02440	2.1
105.00355	1.2
110.97547	1.3
112.08745	0.9
113.00864	1.8
113.74268	0.8
115.02435	14.8
116.07077	1.4
116.98658	1.3
117.03993	1.5
117.05724	0.7
118.14986	0.8
119.01926	100.0
120.02044	1.3
121.01630	1.1
121.03490	1.0
126.98790	1.5
127.03896	1.5
128.98561	1.2
129.03987	5.0
129.10245	1.7
131.01917	12.8
132.00763	0.8
133.01637	2.8
133.03474	33.2
134.99625	0.8
135.05016	2.2
137.01961	1.2
137.02962	22.4
142.03516	2.8
142.12357	0.7
143.01912	16.2
143.02951	0.6
144.99825	4.1
145.03493	7.7
146.99617	3.2
147.01408	2.1
147.05046	7.5
149.01215	0.9
149.02954	4.0
151.02626	0.9
151.04544	5.3
155.01912	1.8
156.05019	1.1
157.03464	4.4
158.99611	1.2
159.01349	1.0
161.02965	42.6
163.04420	1.6
168.99815	8.3
170.03421	1.1
171.01355	8.0
173.02963	12.5
174.99219	0.8
175.00893	1.7
175.04512	3.2
175.11908	2.6
177.02469	3.3
179.02209	5.2
179.04016	2.9
182.03415	1.4
183.05057	1.9
183.55031	1.0
184.04663	4.0
185.02988	3.0
187.00893	24.3
187.02541	1.0
187.04398	1.4
189.00745	1.4
189.02425	11.5
189.05322	1.4
191.03983	12.7
192.05598	1.0
192.55667	2.1
193.00159	1.4
195.03526	1.2
196.99303	5.1
197.03136	2.0
199.00876	8.3
199.04442	0.9
200.04350	3.9
201.02422	4.1
203.00430	1.5
203.04042	3.2
205.01976	9.0
207.03548	2.6
209.04944	1.0
213.02489	1.1
214.05652	0.9
215.00388	28.8
217.02000	16.2
217.05495	2.1
219.01649	0.9
219.03528	10.8
221.05043	2.0
227.04012	1.6
228.94754	0.9
228.99969	1.5
229.02043	8.3
229.06702	2.3
231.03496	3.1
233.01393	3.3
235.06618	2.3
238.02007	1.8
245.01463	1.0
245.05180	1.7
247.03081	24.1
251.02348	1.1
256.99527	1.1
259.03009	2.5
261.04672	1.2
263.06152	1.6
265.04047	7.1
272.13443	1.3
275.00385	1.6
277.03979	2.3
289.04050	8.4
289.07028	2.4
289.16125	3.0
289.20923	1.3
307.04993	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	288.2029
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
55.05510	0.8
56.05022	1.6
56.96566	19.8
57.03436	0.9
58.06589	0.6
60.04518	2.1
60.05649	22.5
60.05958	1.2
61.02930	0.7
62.00628	0.5
62.11360	0.7
64.02875	0.5
68.05032	0.5
69.03438	0.9
69.07072	3.4
69.07402	0.5
70.06590	99.6
70.98136	1.2
71.04998	1.7
71.06916	0.7
71.57372	0.9
72.08154	11.9
73.02925	0.7
74.06079	1.5
75.05615	0.9
81.06995	0.5
82.06570	1.3
83.05001	1.0
83.06105	0.8
83.97630	0.6
84.04503	3.5
84.08143	12.8
84.96035	0.8
85.02907	1.7
85.07688	0.7
85.08486	0.6
86.06068	0.7
86.09705	45.6
87.04491	0.6
87.05601	0.6
87.10051	1.0
88.04001	1.1
88.07610	0.9
88.99157	1.3
89.03905	0.7
90.94839	0.8
95.06127	1.6
96.04530	0.6
97.02905	1.0
97.07648	1.5
97.89827	0.5
98.06068	3.1
98.97585	6.1
101.00885	1.1
102.05522	1.3
110.07182	2.5
110.97585	2.3
112.08730	14.4
113.07133	1.2
113.96390	0.9
114.10349	1.4
115.02407	0.9
115.08704	4.2
116.07080	12.1
116.98621	3.3
119.01922	7.2
119.04936	1.6
125.07061	0.7
127.03922	0.8
128.98598	5.7
129.10225	3.9
130.04990	0.9
130.08748	1.1
130.09756	5.4
130.93318	1.0
131.01901	2.4
132.02025	0.7
133.03488	1.8
134.99664	2.5
135.04390	1.1
136.06172	0.6
136.07651	0.6
137.02945	2.1
140.08203	2.3
142.03476	1.5
143.01932	0.9
145.03532	0.5
146.99655	10.7
147.01379	1.3
147.04309	3.6
147.11346	0.7
148.04822	0.7
149.01218	1.1
149.02940	2.1
150.96855	0.8
151.04515	0.7
152.08192	0.9
156.06482	0.6
156.11314	5.2
156.98140	0.9
157.10855	2.7
157.13388	3.7
158.01323	0.5
158.09251	7.9
158.13651	0.6
158.99748	0.8
160.04553	1.0
161.01208	0.8
161.02951	2.5
163.03889	3.2
165.00737	5.2
166.12268	1.2
168.99886	0.8
171.01433	1.1
172.10855	1.0
172.94318	0.9
173.02940	1.3
174.00749	2.3
174.99156	8.2
175.11902	40.5
177.00749	0.8
177.02481	0.9
183.01689	0.8
183.05109	0.8
183.14885	0.8
187.00893	1.1
188.05966	0.7
189.00638	0.6
189.02498	0.9
190.03848	1.0
190.95409	2.3
190.98671	1.1
191.02351	0.7
191.04031	1.7
193.00218	12.2
193.03270	2.7
195.84692	0.6
197.10370	0.7
199.00960	0.8
199.02809	0.7
201.02499	0.7
201.12424	1.1
203.03986	1.2
205.00146	2.1
205.01886	0.8
206.07018	1.3
208.96301	0.7
208.99677	1.1
209.02998	1.8
211.01222	1.3
212.12828	1.3
214.07060	1.1
216.01837	0.6
217.01970	1.4
219.01683	0.9
219.03641	1.2
223.01332	1.7
224.08009	1.7
225.17030	0.7
226.15421	0.8
227.04010	1.5
228.17038	3.1
229.12277	1.3
229.15417	4.8
231.03543	1.7
232.04915	0.7
234.99663	0.8
237.02594	0.9
239.04143	1.2
239.09215	1.0
247.02917	1.1
247.13197	1.4
249.04546	2.2
251.98232	1.1
253.16672	1.7
255.03456	1.0
257.05035	1.2
262.05679	1.3
265.02826	0.9
270.19107	0.9
271.17661	10.2
280.06604	1.0
283.07037	0.9
288.02686	1.0
288.07773	6.8
288.20285	100.0
289.04199	0.9
289.16235	1.6
289.20538	0.8
306.08594	1.8
307.02982	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75880	0.5
55.05513	12.4
55.91617	0.5
56.05037	1.2
57.05824	1.0
60.04523	1.1
60.05651	2.2
61.07960	0.6
63.27325	0.5
68.05024	0.6
68.99792	0.6
69.05783	0.5
69.07063	1.3
70.06596	12.1
70.55668	1.8
72.08158	100.0
83.04547	0.6
83.04979	3.1
84.04489	1.7
84.08150	6.1
85.01134	0.7
85.02898	0.8
86.06055	0.8
86.09708	68.0
87.10047	0.7
88.03998	0.8
91.05479	0.7
98.06050	0.7
104.07124	0.6
107.04958	1.2
112.08723	1.6
115.08619	0.6
116.05315	1.7
116.07124	1.0
118.08650	4.1
120.08115	0.9
121.02891	1.3
129.10242	24.5
130.06512	0.6
130.08662	1.9
132.10205	14.1
132.11150	0.9
143.11798	33.2
153.01822	2.1
154.02173	1.0
157.09729	15.5
157.13345	4.8
170.05919	0.7
171.02927	0.6
171.11281	7.1
173.12895	1.7
174.02255	0.6
175.11937	3.3
177.05516	0.7
185.12805	0.8
189.10616	0.8
189.12334	12.7
201.12592	0.7
214.05682	0.8
229.12263	2.2
230.05722	0.5
242.33255	0.6
243.17029	1.1
247.13326	5.4
270.13242	1.2
271.17670	1.1
288.05850	24.9
288.14606	1.0
288.20374	8.5
289.06262	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	68.9
60.05660	10.4
69.07073	0.9
70.06596	48.5
70.60973	2.0
70.61344	1.7
70.98119	1.3
71.04990	1.8
71.36317	0.8
72.08173	4.3
72.96052	1.8
74.14351	0.8
74.97601	0.9
75.99836	0.9
79.33571	0.8
81.03403	0.9
83.97616	1.0
84.08129	4.2
84.96035	1.1
85.02933	1.3
86.09715	19.3
88.99154	1.2
97.07629	1.0
98.06039	1.7
98.20932	1.7
98.97576	2.1
101.00882	4.0
103.02477	0.9
110.97575	20.0
112.08745	6.9
115.02454	1.7
115.08708	2.6
116.07111	7.0
116.98627	1.7
119.01923	8.6
126.02290	1.8
128.98624	24.7
129.10213	1.1
130.09750	2.0
131.01923	3.0
132.02042	2.3
133.03461	3.4
137.02983	1.9
137.98589	1.1
138.97029	1.1
140.03827	2.4
140.08127	0.8
142.03554	1.2
142.05396	2.0
143.11655	0.8
144.03328	1.9
145.03409	0.9
145.99944	1.9
146.99637	14.6
147.04395	0.9
149.03017	2.1
150.03123	1.1
155.99692	10.4
156.11357	3.0
156.98085	14.6
157.10860	1.7
158.04924	4.4
158.09254	3.2
159.01480	1.4
160.01451	1.2
160.04565	1.7
160.06503	7.5
161.02974	2.8
165.00720	2.5
166.12306	1.4
170.04935	3.5
171.01323	1.2
172.08269	1.1
173.02849	1.2
174.00752	11.6
174.99158	90.0
175.11935	19.8
176.06023	1.7
177.02495	2.4
178.02638	3.5
178.07495	2.8
180.07301	1.1
187.00931	3.3
188.00636	1.6
188.04352	1.5
188.05930	7.1
189.00780	1.6
189.02477	1.1
191.03983	1.0
192.01932	1.4
193.00220	100.0
196.03714	1.5
198.00819	2.0
199.00833	1.4
204.90108	0.9
205.00235	1.3
206.07002	12.7
207.03566	1.1
211.01256	6.1
216.01799	1.2
217.01999	3.6
219.03558	1.4
220.03728	1.1
224.08051	19.5
227.02419	1.1
228.00659	3.0
228.17123	1.5
229.15462	2.0
242.08810	1.0
243.54376	0.9
246.01712	2.7
247.03069	1.9
252.05475	1.3
256.00153	2.4
270.06473	6.9
271.17694	5.6
274.01190	2.0
288.07596	68.1
288.20303	55.5
288.23553	2.0
306.08618	23.5
307.05005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1966
Annotation	N-Acetyl-leucyl-leucine
Peak:m/z	Relative Intensity
53.03940	0.2
54.45628	0.2
55.01853	0.2
55.05514	0.4
57.03428	0.4
60.87550	0.2
63.00025	0.3
65.03922	0.5
65.56464	0.2
67.01857	0.5
67.05482	0.9
68.01357	0.2
68.99792	2.2
69.03403	0.5
69.07064	1.7
70.06579	0.6
70.71587	0.3
70.71901	0.4
72.08153	0.4
74.28628	0.2
79.05492	1.4
81.03411	1.0
81.07057	1.3
82.03744	0.3
83.08607	0.5
84.08109	0.5
85.01104	0.4
86.09706	26.2
87.37575	0.2
91.02168	1.4
91.05478	0.6
93.07028	0.7
95.04980	0.5
95.08598	0.7
97.06506	0.3
98.20845	0.3
98.98408	0.3
101.47553	0.2
105.03384	1.0
105.07036	0.6
107.04958	1.5
107.08575	0.6
109.02876	0.7
109.10139	0.4
111.00808	1.3
111.04435	0.3
111.08061	0.3
115.05458	0.2
117.06955	0.3
119.04960	0.3
119.08586	0.4
121.02873	6.8
121.03856	0.4
121.06504	0.2
121.10146	0.4
128.06213	0.2
128.10715	15.8
129.07004	0.3
130.06514	0.2
131.08559	0.3
131.50621	0.2
132.09209	0.3
132.10207	5.2
133.02841	0.8
133.10197	0.3
133.42030	0.3
137.02356	2.4
141.06998	0.3
143.18306	0.3
145.06468	0.6
145.10066	0.4
147.04420	1.4
149.13286	0.4
153.01820	10.0
155.06116	0.3
156.10208	3.4
157.06490	1.5
160.07558	0.3
161.06010	0.4
165.01839	2.7
171.04408	0.7
179.06395	0.8
180.06955	0.3
183.02919	1.6
185.05988	1.0
197.05936	0.3
202.08978	0.4
211.09009	0.9
213.05420	2.9
227.06773	0.9
229.04968	0.5
231.06531	1.2
239.08517	0.9
241.04968	1.5
255.06236	0.7
258.05234	2.4
259.06012	1.1
259.09106	0.3
269.04410	0.4
269.12714	0.4
287.05493	100.0
288.05768	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.139
Annotation	3-sec-Butyl-3-hydroxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
50.37953	0.4
53.03957	0.4
55.05505	1.5
56.96569	0.4
57.03439	0.4
57.53785	0.3
60.08661	0.4
65.03932	0.6
65.68817	0.4
67.05511	2.9
68.99781	1.2
69.07078	1.9
70.50856	0.8
70.51222	0.7
71.04988	0.6
72.04488	0.4
79.05489	2.2
81.00110	0.3
81.03417	0.5
81.07055	4.7
82.21332	0.4
83.05010	0.5
83.08577	0.7
84.04492	0.5
84.08101	0.4
91.05481	6.6
93.07047	3.0
94.06551	2.2
95.04967	1.5
95.08598	2.3
97.02868	0.4
103.05520	0.5
104.04996	0.7
105.03358	0.6
105.05753	0.7
105.07030	3.3
106.06566	1.5
107.04943	0.7
107.08617	3.0
108.08121	1.2
109.06514	0.5
109.10143	1.5
110.06049	0.4
111.00816	0.6
111.08096	0.4
115.05476	0.4
116.04977	0.5
117.05753	1.6
117.07029	0.9
118.06538	6.3
119.07289	0.8
119.08578	2.9
120.08110	9.5
121.02876	2.8
121.10136	1.6
122.06021	5.9
122.09640	0.6
123.07977	0.4
123.11662	0.6
124.07563	0.8
129.07024	0.9
131.08556	1.5
133.10155	1.9
134.06018	5.4
135.04433	0.6
135.11702	1.3
136.07574	12.2
137.02344	1.0
138.05479	1.9
142.07733	0.5
143.08568	1.0
145.06480	0.4
145.10107	2.2
146.05997	4.2
146.09677	0.4
147.04411	0.5
147.06824	1.6
147.11681	1.2
148.07562	5.5
149.13271	0.6
152.07028	1.4
153.01833	4.6
157.06447	0.8
157.10152	1.1
158.09564	0.5
159.08073	0.7
159.11659	2.2
161.05923	0.5
161.13257	1.0
164.07066	100.0
165.01892	1.0
165.07625	1.3
166.08614	1.6
168.07965	0.5
171.08054	0.4
171.11684	1.0
173.13245	0.8
175.14871	0.6
177.06755	0.7
180.00079	0.4
181.08823	0.6
181.10246	0.4
182.09816	0.4
185.05884	0.5
185.13242	0.7
186.09102	0.8
189.16486	0.4
196.11189	0.9
198.11375	0.6
198.12936	0.6
199.14870	1.0
200.10733	0.8
201.16383	2.0
210.10123	0.5
212.09366	0.9
213.05482	1.3
213.10251	0.7
213.13905	1.9
213.16287	0.8
216.10271	2.2
222.16209	0.4
224.10756	0.9
225.10190	0.4
226.08856	0.6
226.11003	1.6
227.08168	0.5
227.11693	1.4
227.17970	0.5
241.05014	0.7
241.13367	8.3
241.15785	0.4
243.14996	2.1
244.06320	2.5
245.09206	1.7
251.11774	1.4
252.10207	0.7
254.10268	0.5
258.05124	1.2
269.12842	47.8
269.22632	1.5
270.13092	0.6
272.05878	1.3
272.11679	0.5
273.03000	0.4
287.05472	41.3
287.08258	7.3
287.13882	35.1
287.18829	0.5
287.20505	0.8
287.23566	4.8
288.05896	0.9
304.86661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03943	0.4
57.07086	0.3
60.48836	0.3
65.03928	0.4
67.01881	0.3
67.05484	0.4
68.99795	2.2
69.03387	0.3
69.50465	0.2
70.57237	0.3
75.93892	0.2
77.60695	0.2
79.05502	0.6
81.07072	0.4
85.12679	0.2
89.51148	0.3
91.05470	0.4
93.07040	0.3
95.04959	0.5
98.21301	1.4
103.05447	0.3
105.03381	1.0
107.04942	0.8
107.08595	0.4
109.02879	0.8
111.00799	1.5
111.04426	0.5
117.07004	0.4
119.08613	0.5
121.02879	6.2
129.07004	0.3
133.02858	0.7
135.04370	0.5
137.02339	2.6
147.04408	1.3
148.74062	0.3
153.01833	11.1
155.00003	0.4
157.01591	0.5
157.06496	1.5
161.05995	0.6
165.01842	3.7
171.01445	0.3
171.04381	0.5
172.01474	0.6
173.01118	3.0
183.02863	1.7
185.05977	1.0
189.05432	0.3
193.10056	0.2
203.07126	0.3
213.05490	3.5
229.04959	0.5
231.06532	1.2
239.09621	0.5
241.04936	1.5
243.06503	0.3
258.05203	2.0
259.05963	0.6
269.04385	0.4
286.31021	1.5
287.05499	100.0
287.19968	1.0
287.23416	0.5
288.05835	1.7
305.17981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01880	0.2
63.36634	0.2
65.03940	0.4
67.01850	0.5
68.99783	2.2
69.03436	0.3
70.48351	0.4
70.48686	0.2
79.05476	0.6
81.03403	0.4
82.03764	0.2
87.28658	0.2
95.04950	0.2
98.21254	0.4
105.03394	1.0
107.04951	0.9
109.02869	0.7
111.00797	1.3
111.04412	0.4
121.01985	0.4
121.02863	7.6
127.03926	0.5
128.06221	0.3
129.07007	0.2
133.02879	0.9
135.04469	0.3
137.02324	2.4
141.97078	0.2
145.06471	0.5
147.04427	1.3
153.01825	10.1
157.06458	1.2
161.05965	0.5
165.01834	3.1
171.02951	0.2
171.04396	0.6
175.03899	0.3
175.07475	0.2
183.02869	1.4
185.05963	1.3
197.05956	0.3
203.06949	0.3
213.05467	3.0
216.04272	0.2
229.04877	0.4
231.06410	1.0
241.04996	1.5
245.04460	0.3
258.05237	2.2
259.05978	0.9
269.04501	0.3
287.05484	100.0
288.05716	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03934	0.2
54.12961	0.1
55.01861	0.2
55.05502	0.3
63.00035	0.2
65.03934	0.4
67.01858	0.3
68.99430	0.2
68.99787	2.5
69.03428	0.3
69.07048	0.2
70.06599	0.8
71.01340	0.2
71.04978	0.2
71.56983	0.2
72.08147	0.3
77.03939	0.1
79.05496	0.8
81.03397	0.4
81.07040	0.3
82.06589	0.1
84.08131	0.4
86.09702	0.7
91.05469	0.4
93.07034	0.4
95.04952	0.6
98.04262	0.1
103.05469	0.3
103.59559	0.1
105.03407	1.1
105.07061	0.2
107.04958	1.1
107.08624	0.1
109.02869	0.8
109.77473	0.1
110.07211	0.2
111.00813	1.4
111.04435	0.5
114.09176	0.1
115.05440	0.2
119.04942	0.2
121.02874	7.5
121.03826	0.2
121.06541	0.2
121.10109	0.2
127.03906	0.5
129.07008	0.5
129.10254	0.3
131.04929	0.2
131.08533	0.1
133.02847	1.3
133.06482	0.2
135.04411	0.4
137.02324	2.4
141.06976	0.3
145.06485	0.5
147.04420	1.4
149.02434	0.2
149.09630	0.2
153.01834	10.9
157.06485	1.3
161.05956	0.5
163.03905	0.2
165.01834	3.4
166.02646	0.2
169.06490	0.2
171.03094	0.2
171.04398	0.8
175.03931	0.1
175.07544	0.2
177.09085	0.2
179.16212	0.3
183.02905	1.6
185.05968	1.1
189.05441	0.4
197.05965	0.3
199.04060	0.2
203.03365	0.2
203.07054	0.3
212.04681	0.2
213.05469	2.8
216.04146	0.2
223.18965	0.3
229.04944	0.5
231.06497	1.1
241.04955	2.0
241.10545	0.2
242.05641	0.2
258.05286	2.5
259.06033	1.1
269.04449	0.4
286.04703	0.1
287.05499	100.0
288.05786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Fisetin
Peak:m/z	Relative Intensity
50.01640	0.1
50.13482	0.1
53.03926	0.3
55.01852	0.2
63.02325	0.1
65.03924	0.4
67.01862	0.5
67.05492	0.2
68.99431	0.1
68.99788	2.3
69.03416	0.4
69.62384	0.6
79.05492	0.9
81.03397	0.3
81.07026	0.3
85.62239	0.1
91.05452	0.2
93.07024	0.1
94.04179	0.1
95.04960	0.4
95.08591	0.1
97.02868	0.1
98.21448	0.2
98.34828	0.1
103.05448	0.2
105.03385	1.0
105.07008	0.3
107.04961	1.0
109.02881	0.9
109.10123	0.1
111.00813	1.5
111.04436	0.4
115.05439	0.2
117.06989	0.1
119.04928	0.2
119.08549	0.2
121.02872	6.3
121.03841	0.2
121.06441	0.1
127.03913	0.3
128.06197	0.1
129.01741	0.1
129.07001	0.4
133.02844	0.8
133.06479	0.1
135.04446	0.7
137.02336	2.1
139.05412	0.1
141.06987	0.3
143.04942	0.1
145.02829	0.1
145.06502	0.5
145.10139	0.1
147.04414	1.1
147.08040	0.1
147.11560	0.1
153.01831	10.7
157.06490	1.3
159.11630	0.1
160.07649	0.1
161.02257	0.2
161.05954	0.4
161.13298	0.1
163.03865	0.1
165.01833	3.0
166.02431	0.1
169.06458	0.1
171.02972	0.2
171.04434	0.6
175.03876	0.2
175.07559	0.1
179.03450	0.1
183.02898	1.5
185.05968	1.4
189.05420	0.2
189.16248	0.1
191.03427	0.1
193.74538	0.1
197.06012	0.3
199.03894	0.2
201.05466	0.2
201.16357	0.1
203.03336	0.2
203.07054	0.2
213.05467	3.0
216.04156	0.1
217.04974	0.1
229.04915	0.3
231.06522	1.2
241.04948	1.6
242.05713	0.1
243.06526	0.2
245.04512	0.1
253.13884	0.1
257.04541	0.1
258.05246	2.0
259.06021	0.8
269.04440	0.4
269.22675	0.1
287.05487	100.0
288.05838	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Kaempferol
Peak:m/z	Relative Intensity
53.03940	0.1
55.01865	0.2
65.03935	0.3
67.01860	0.4
68.99788	2.4
69.03412	0.2
69.70885	0.8
70.15665	0.2
71.35799	0.1
79.05477	0.6
81.03401	0.2
92.69341	0.1
95.04959	0.4
97.02889	0.2
102.88710	0.1
103.05509	0.2
105.03390	1.0
107.04971	1.1
109.02892	0.8
109.83281	0.1
111.00812	1.3
111.04424	0.3
115.05456	0.3
119.04919	0.3
121.02871	7.2
121.03848	0.2
127.03906	0.2
129.06990	0.4
133.02863	1.0
135.04425	0.3
137.02356	2.0
141.06958	0.3
145.06474	0.6
147.04387	1.4
153.01833	10.7
157.06499	1.2
161.05972	0.4
165.01852	3.9
166.02635	0.1
169.06543	0.2
169.49603	0.1
171.04358	0.8
183.02898	1.4
184.05280	0.1
185.05998	1.2
189.05496	0.3
197.05991	0.4
203.07053	0.3
211.08928	0.1
213.05469	3.3
229.04860	0.4
231.06535	1.2
241.04971	1.5
258.05273	2.0
259.06067	0.7
269.04398	0.3
287.05496	100.0
288.05762	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
53.03939	0.3
65.03944	0.3
67.01852	0.5
68.99788	2.4
69.03431	0.2
69.37105	1.1
73.53408	0.1
75.72485	0.1
76.65287	0.1
79.05502	0.5
81.03410	0.4
81.59781	0.1
95.01358	0.1
95.04951	0.3
103.05453	0.3
105.03391	1.1
107.04967	0.9
109.02896	0.8
109.10381	0.1
111.00810	1.6
111.04451	0.4
115.05454	0.2
115.83415	0.1
117.07024	0.2
119.04919	0.2
121.02870	7.4
121.03915	0.4
127.03898	0.2
128.06233	0.2
129.06990	0.5
133.02879	1.0
134.89714	0.1
135.04408	0.4
137.02341	2.5
141.07007	0.2
141.54657	0.1
145.06465	0.6
147.04410	1.2
153.01831	11.5
157.06477	1.4
161.05983	0.5
163.80748	0.1
165.01846	3.6
165.55498	0.1
170.86830	0.1
171.04407	0.7
175.03885	0.3
183.02885	1.6
185.05963	1.3
187.05780	0.1
189.05481	0.3
197.06026	0.2
199.03790	0.3
203.03383	0.2
203.07021	0.3
213.05476	3.8
216.04303	0.1
217.04950	0.2
229.04987	0.5
231.06522	1.4
241.04971	1.4
243.06546	0.2
257.04471	0.1
258.05222	2.5
259.06027	0.8
269.04407	0.6
287.05496	100.0
288.05774	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.2
64.85322	0.2
65.03928	0.4
67.01846	0.3
68.99469	0.2
68.99793	2.1
70.84120	0.4
75.68089	0.2
79.05478	0.6
81.03415	0.3
81.07011	0.2
87.19209	0.2
91.05482	0.3
95.04896	0.2
98.21156	0.3
103.64937	0.2
105.03417	0.9
107.04952	1.0
109.02868	0.6
111.00806	1.4
111.04434	0.3
119.04947	0.2
121.02871	6.5
121.03867	0.3
127.03917	0.3
129.06996	0.4
133.02823	0.9
135.04385	0.3
137.02327	2.1
145.06474	0.4
147.04408	1.2
147.11595	0.2
153.01831	9.9
157.06499	1.5
161.06026	0.3
165.01833	3.4
167.04950	0.2
171.04375	0.7
183.02910	1.2
185.05992	1.0
189.05481	0.3
203.07002	0.4
213.05463	3.2
229.04936	0.3
231.06528	1.1
241.04926	1.3
243.06528	0.2
245.04379	0.2
258.05212	1.9
259.05960	0.7
269.04440	0.5
287.05496	100.0
288.05814	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.14734	0.1
53.03941	0.2
55.01876	0.2
55.23579	0.1
57.75903	0.1
64.04385	0.1
65.03936	0.4
67.01862	0.3
68.99789	2.4
69.24734	1.5
79.05494	0.7
81.03421	0.4
90.72253	0.1
95.04989	0.3
98.20795	0.5
98.21488	0.3
105.03394	0.6
107.04967	1.0
109.02858	0.7
111.00797	1.5
111.04434	0.2
115.05363	0.2
119.04892	0.2
121.02876	6.5
121.03831	0.3
127.03897	0.3
129.07011	0.3
133.02855	0.9
135.04437	0.3
137.02354	1.8
141.06970	0.3
143.04842	0.2
145.06482	0.4
147.04427	1.2
153.01833	10.0
157.06480	1.3
161.06029	0.5
165.01842	3.8
165.03232	0.2
171.04417	0.6
175.04027	0.2
183.02878	1.9
185.05959	1.0
189.05510	0.3
197.05962	0.4
203.07053	0.3
212.75002	0.2
213.05472	3.3
216.04210	0.3
229.04988	0.3
231.06494	1.3
241.04889	1.3
243.06490	0.3
246.97075	0.2
258.05280	2.4
259.06021	0.6
269.04489	0.5
287.05496	100.0
288.05713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28088	0.1
51.47388	0.2
53.03947	0.2
54.59600	0.1
61.38314	0.1
65.03929	0.4
67.01849	0.4
68.99787	2.3
69.03416	0.3
71.10150	0.4
79.05473	0.6
81.03401	0.4
91.32215	0.2
95.04961	0.3
103.05490	0.2
105.03381	1.0
107.04951	1.3
109.02874	0.9
111.00803	1.6
111.04461	0.3
115.05403	0.2
119.04977	0.2
121.02868	7.5
127.03903	0.3
129.06995	0.2
131.04889	0.2
133.02904	1.0
135.04422	0.3
137.02341	2.5
141.06938	0.3
145.06467	0.3
147.04402	1.7
152.05275	0.2
153.01830	11.1
157.06490	1.7
161.02409	0.2
161.05997	0.3
165.01834	3.6
171.04395	0.7
175.03928	0.2
175.07558	0.2
183.02887	1.5
184.05241	0.2
185.05936	1.4
189.05637	0.3
197.05908	0.2
201.05556	0.1
203.07047	0.3
212.04584	0.2
213.05476	3.5
217.04918	0.2
229.04932	0.5
231.06535	1.3
241.04933	1.7
243.06477	0.2
257.04147	0.2
258.05225	2.3
259.06107	0.9
269.04532	0.4
287.05490	100.0
288.05710	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39482	0.6
53.87778	0.7
55.05516	3.0
55.06143	0.6
56.05032	1.6
56.96568	5.5
59.04998	1.3
61.02929	4.0
68.05013	1.3
69.63043	1.2
69.63450	3.1
70.06593	20.4
71.04994	5.6
71.81515	0.6
72.08149	8.2
78.70040	0.6
79.05484	2.4
81.04529	1.1
81.07056	12.0
82.05320	1.9
82.06601	1.0
83.06100	10.6
84.04473	1.2
84.08132	3.0
85.01413	0.8
85.02900	1.2
85.07681	0.6
86.09700	2.3
87.08116	1.7
93.04539	6.4
94.06556	0.9
95.06091	15.7
98.06084	0.8
98.21220	2.1
98.97579	1.3
99.07986	0.8
101.95038	1.6
106.06573	1.4
107.06075	2.8
110.07163	100.0
111.05572	2.0
111.07541	0.7
112.07603	6.0
112.08721	3.0
116.07099	10.9
116.98565	1.0
119.06096	1.3
120.06811	0.9
121.07668	1.1
123.04391	0.9
124.03955	1.4
124.07555	1.0
128.98598	1.4
129.10245	1.4
130.04988	0.8
136.06215	0.8
136.08733	0.7
139.05051	0.8
140.07074	3.1
143.11806	0.8
143.65109	0.7
154.07204	1.3
156.03326	6.1
156.07686	14.3
156.98111	0.8
158.06619	2.3
163.12305	56.7
166.06168	2.4
168.03294	1.1
169.13341	0.9
170.06670	0.6
171.11285	1.0
174.04378	6.7
174.99171	2.0
175.04634	0.6
176.07690	2.0
180.12604	0.8
185.01498	0.6
185.09224	3.9
186.04384	11.1
187.10803	1.0
188.07646	3.7
190.13391	9.4
192.05334	0.8
192.60237	0.7
193.00203	1.9
193.13350	1.7
197.12852	0.8
204.05432	12.8
207.95822	0.8
208.14436	13.1
210.16052	1.6
212.15277	0.8
214.09283	1.3
219.11316	2.7
224.07642	2.0
236.13936	10.6
240.10297	0.9
240.17061	8.4
242.08786	1.5
244.99251	0.8
254.15010	22.8
263.00119	1.8
268.16629	0.7
281.48865	0.8
286.06000	4.8
286.15213	3.4
286.17612	73.3
287.05371	1.1
287.18008	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03949	3.9
55.01888	3.6
55.05521	25.9
56.85603	3.1
57.07080	5.3
58.09388	3.3
59.04513	3.5
60.60036	3.5
61.33391	3.4
67.05517	26.8
69.03432	4.9
69.07071	60.6
69.35969	6.9
69.36373	23.0
71.05001	11.5
79.05498	17.8
81.07056	43.6
83.04912	3.0
83.08611	9.9
84.29194	3.3
90.39789	3.3
91.05493	22.4
93.07040	38.0
95.04959	14.4
95.08615	45.5
97.06530	21.3
98.21042	14.4
99.08138	3.8
105.07034	75.2
105.78206	3.5
107.08608	46.9
109.06509	26.3
109.10154	31.8
111.08070	11.6
117.07030	11.9
118.80917	3.3
119.08582	100.0
121.06502	14.9
121.10143	35.8
123.08100	6.7
123.11709	22.5
131.08623	14.2
133.10143	59.0
135.08090	18.3
135.11674	19.5
137.09651	4.5
143.08549	11.3
145.10149	27.7
146.07243	8.7
147.08066	4.7
147.11711	29.4
156.09389	4.7
157.10114	11.5
159.11722	17.7
160.12509	3.2
161.09636	94.4
161.13257	11.7
163.14880	4.1
165.39569	3.8
169.10193	9.2
171.11740	6.6
173.13287	12.4
175.14827	68.3
177.16409	12.5
183.11664	5.9
185.13235	13.3
187.14922	5.1
189.16379	8.5
193.15912	8.2
197.13275	14.7
201.12727	4.4
203.17963	8.1
211.14842	13.7
215.17979	5.1
223.36034	3.3
267.21109	14.8
285.18930	6.6
285.22046	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01858	1.1
55.05515	17.1
57.03436	19.2
57.07071	1.3
64.22241	0.8
65.03931	2.0
67.05506	38.1
69.03421	1.1
69.06724	0.9
69.07071	18.0
69.55580	5.0
70.06585	1.7
71.04987	5.8
73.06569	1.0
73.76349	0.8
79.05058	1.3
79.05491	19.6
81.03413	2.0
81.07059	100.0
83.04985	7.9
83.08628	11.5
85.02901	1.1
85.06554	7.5
91.05483	25.6
93.07043	16.1
95.04974	6.2
95.08605	22.8
97.06532	9.2
97.10155	1.6
98.21140	3.0
98.98510	1.3
99.08074	4.6
101.05990	1.3
105.07033	39.7
107.08591	15.7
109.06521	6.5
109.10136	2.6
111.08046	1.2
113.06011	2.3
117.07034	1.1
119.08584	29.0
121.10148	21.3
123.08086	4.5
123.11709	32.7
124.99998	0.9
127.07542	2.8
129.07019	2.1
129.79309	0.9
131.08543	3.4
133.10104	2.9
137.13246	2.7
141.09117	1.1
143.08456	1.0
145.10101	2.3
147.11690	79.1
149.09596	1.8
155.68512	0.8
157.10144	4.9
165.12770	39.0
173.13132	1.3
175.11180	4.2
179.16859	1.0
182.07104	0.9
183.13789	4.6
193.12195	3.3
195.16278	0.8
211.13240	1.1
225.09131	1.4
229.14380	5.0
242.05742	3.1
243.11327	1.9
246.95665	0.9
253.08688	2.0
267.15891	4.7
267.21210	1.1
270.05228	2.0
285.07681	11.2
285.12036	1.8
285.16928	47.8
285.22104	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.0
55.01858	9.3
55.05515	32.5
57.03444	41.9
57.07050	2.9
65.03943	5.8
67.05508	92.7
69.03439	8.3
69.07069	25.1
70.16512	9.9
71.04987	10.9
71.74997	2.1
72.54202	2.0
76.69718	2.7
79.05056	4.3
79.05498	81.1
81.03443	14.3
81.07063	100.0
83.04984	39.1
83.08614	15.8
85.02886	4.7
85.06550	8.6
87.04466	14.8
91.05482	96.0
93.07049	57.3
95.04973	89.8
95.08614	41.7
97.06533	15.4
97.10204	4.2
98.20866	3.7
98.21393	3.3
99.08080	3.6
101.02350	3.8
105.07031	70.0
107.04969	14.8
107.08595	47.9
109.06525	29.5
109.10169	7.3
111.04451	8.1
111.08090	6.9
113.06020	6.3
117.07011	10.5
119.08578	39.1
121.10213	16.9
123.08074	7.3
123.11722	12.9
125.09632	6.6
128.06168	2.4
129.06985	22.3
131.08557	17.2
133.06487	6.8
133.10135	51.9
135.08063	31.8
135.11687	12.1
137.09616	5.6
139.50287	2.4
142.07733	4.4
145.10115	3.6
147.08034	4.4
147.11696	46.3
149.09627	16.2
151.11189	35.1
153.12727	2.9
157.10132	23.8
159.11699	2.9
165.06989	3.6
165.12781	27.6
175.11180	30.4
193.12250	31.8
211.13306	15.0
225.08890	2.8
253.08742	7.0
285.07538	3.8
285.11884	6.8
285.16980	82.1
285.21921	6.2
294.91144	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01871	2.2
55.05262	0.8
55.05510	9.8
57.03179	1.0
57.03442	13.4
62.77915	0.6
63.73228	0.7
65.03954	0.9
67.05505	19.4
68.99776	1.0
69.03419	2.2
69.07067	9.8
69.51417	5.6
70.06590	1.0
71.05022	3.3
71.46277	0.8
79.05492	15.6
81.03423	20.9
81.07059	38.9
82.07395	0.8
83.04981	7.0
83.08620	8.3
85.02899	6.6
85.06535	2.9
87.04472	1.6
91.05482	21.6
93.07041	11.0
95.04967	17.6
95.08608	10.9
97.02896	1.0
97.06505	4.1
97.10144	1.0
99.08081	2.0
105.07035	18.8
107.04953	2.9
107.08595	8.7
109.06528	5.7
109.10152	2.2
111.04449	1.4
111.08077	4.7
113.06023	1.8
113.07914	0.7
117.06977	1.9
119.08596	15.0
121.06514	0.8
121.10165	8.2
123.08066	2.7
123.11707	10.7
125.09602	1.2
129.07025	4.4
131.08583	4.4
133.06528	2.5
133.10161	5.7
135.04344	0.8
135.08066	3.3
135.11729	0.8
137.09602	1.3
137.13251	1.2
142.07738	1.8
145.10126	1.1
147.08061	1.3
147.11690	29.2
149.09607	2.6
151.11171	3.7
153.01857	3.1
157.10136	5.1
165.07033	1.7
165.12766	12.4
171.02992	1.1
175.11176	7.6
182.07317	0.8
183.13776	1.3
193.06493	1.8
193.12233	17.9
211.13272	8.0
221.05899	1.5
225.09111	2.6
229.14439	2.1
242.05748	35.3
243.11363	1.7
253.08615	3.8
267.15936	5.3
270.05237	13.3
285.07593	100.0
285.11145	3.6
285.16870	24.7
285.22113	1.4
286.07932	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
54.74468	1.0
55.01867	3.1
55.05510	20.1
56.65974	1.3
57.03435	24.4
57.07061	2.4
59.04976	1.3
65.03923	2.3
65.24818	1.0
67.05505	46.8
69.03405	2.1
69.07069	18.3
70.06583	3.3
70.24474	4.9
71.05007	7.9
73.06548	1.4
79.05492	31.0
81.03407	8.7
81.07056	100.0
83.04982	12.3
83.08613	13.4
85.02888	3.3
85.06531	7.4
87.04459	3.3
91.05482	38.3
93.07039	23.4
95.04965	23.2
95.08600	26.3
97.06529	10.1
98.20936	2.6
99.08092	5.0
100.11253	3.0
101.06039	1.6
105.07034	41.9
107.04944	4.4
107.08590	18.9
109.06525	9.0
109.10151	4.1
111.04427	3.1
111.08072	3.3
113.06010	2.7
115.05500	1.3
117.07037	2.5
119.08581	31.5
121.10138	21.8
123.08056	5.9
123.11712	24.6
125.06050	1.3
125.09603	2.7
127.07578	2.1
129.06987	7.7
131.07709	1.2
131.08528	7.1
133.06476	3.0
133.10138	13.8
135.08086	5.7
135.11722	3.1
137.09593	2.4
137.13271	2.7
142.07756	2.2
145.10114	3.3
147.07971	2.2
147.11688	68.0
149.09618	3.2
151.11157	5.8
153.01794	1.8
155.08459	1.3
157.10144	9.8
157.97906	1.2
159.11736	1.8
161.86900	1.2
165.07040	1.2
165.12753	35.3
165.36714	1.0
171.11687	1.7
175.11247	6.8
183.13844	3.8
185.13335	1.4
193.06577	1.4
193.12263	12.6
199.14810	1.5
211.13248	5.3
221.06058	1.1
225.09219	3.4
229.14270	5.5
232.79657	1.3
242.05740	25.3
253.08621	4.0
267.11157	3.9
267.15991	3.7
270.05255	11.6
273.29913	1.6
285.07605	71.0
285.11929	6.3
285.16946	58.9
285.22171	6.4
286.08038	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65728	0.5
55.05517	0.5
56.96553	0.7
57.16763	0.5
58.92967	0.5
63.00043	1.5
63.54597	0.5
65.03935	0.8
67.05518	2.8
69.35468	4.9
70.06598	5.7
72.08147	1.1
73.83916	0.5
81.07054	0.6
84.04513	0.7
84.08131	1.9
86.09708	1.4
87.18066	0.4
93.05759	0.5
94.06576	10.7
95.04972	0.9
95.21764	0.5
98.21133	2.5
98.98479	1.2
106.06557	3.6
108.08076	1.0
110.07175	1.9
122.06046	8.9
136.07587	3.2
148.04039	0.7
149.07083	0.8
150.05515	100.0
151.05888	0.9
168.06532	3.7
182.08127	2.3
198.00285	0.9
253.08197	5.8
268.97714	0.7
285.07800	0.7
285.18301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
56.05029	1.1
57.03430	0.7
58.99583	0.5
59.59500	0.4
63.55984	0.4
67.05503	1.9
69.07066	1.9
70.02944	2.6
70.06594	15.0
72.04498	0.6
72.08154	0.9
76.02224	2.0
76.04023	0.7
79.05486	2.7
80.04993	0.6
81.03398	1.2
81.07055	2.8
82.06583	0.7
83.04950	0.5
83.08614	1.3
84.04510	2.4
84.08127	1.1
86.00655	0.7
86.09714	2.1
86.99033	0.5
88.03995	1.7
91.05453	1.3
93.07044	5.0
94.06529	0.8
95.04962	0.8
95.08607	2.7
96.08167	0.5
98.06058	0.8
98.09680	1.0
105.07034	1.1
107.08604	2.8
108.08114	9.1
109.08910	1.0
109.10144	0.9
110.06039	0.8
110.09686	2.3
110.27052	0.4
112.07604	9.9
114.05523	0.8
116.01699	0.6
116.03465	0.8
117.06995	0.5
118.05008	0.9
119.08578	1.1
120.08104	1.5
122.09671	8.0
123.10461	1.5
124.11221	0.8
130.04948	0.7
130.06543	0.6
133.10097	0.5
135.11711	3.7
135.39688	0.4
136.07581	0.5
136.11221	3.1
137.13255	1.2
138.09148	0.6
140.07054	4.0
140.10684	0.9
145.10127	0.4
150.12779	10.5
151.13571	7.3
152.10721	0.7
153.15147	0.5
156.10196	0.9
158.08141	0.8
161.13148	0.4
162.02206	0.6
162.64471	0.4
163.07465	0.4
164.14348	1.3
166.12291	0.6
166.15953	0.9
168.06551	0.7
170.05975	0.8
172.09715	0.7
176.14299	0.8
178.15895	4.1
179.04861	0.9
180.10211	0.9
180.17531	0.5
184.09723	0.5
186.11258	1.3
192.13855	0.4
194.15428	2.7
196.09735	1.3
198.11301	0.7
210.11324	1.3
210.14874	3.5
222.15001	0.7
227.05809	0.5
238.14380	1.0
240.15948	100.0
241.16338	1.3
242.08141	0.7
242.17522	5.0
259.11136	1.1
266.10226	0.6
284.18561	54.8
284.29514	1.6
285.12222	0.6
285.18799	0.5
308.09113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12651	0.4
55.01851	0.5
55.05487	1.8
58.06611	0.6
67.05505	2.0
69.07057	2.6
70.02960	2.5
70.06584	3.2
71.58070	0.5
72.04509	0.8
72.08115	0.4
79.05486	3.0
80.05019	0.5
81.03393	0.9
81.07065	3.1
82.06589	1.0
83.08593	1.1
84.08131	0.8
86.09694	1.6
87.19318	0.4
88.03981	1.0
91.05460	1.0
91.87139	0.4
93.07043	6.3
94.06529	1.2
94.07354	0.6
95.04958	0.5
95.08625	2.7
98.06049	0.5
102.51993	0.4
104.49628	0.4
105.06989	1.0
106.05006	0.5
107.08554	2.8
108.07431	0.6
108.08118	7.9
108.08853	0.6
109.07646	0.6
109.08904	0.9
109.10142	0.8
110.07165	0.6
110.09661	1.3
111.04427	0.5
112.07600	1.5
116.03406	0.5
118.04979	1.0
119.08563	1.2
120.08052	0.7
121.10174	0.5
122.09663	5.4
123.10438	1.2
124.07652	0.6
124.11209	0.5
125.05909	0.4
130.06528	1.4
133.10135	0.7
134.09567	0.7
135.11697	5.5
136.11218	2.7
137.13249	0.7
139.90244	0.4
140.07057	0.5
140.10649	0.8
144.99951	0.4
147.11661	0.5
148.11169	0.5
150.12781	12.0
151.13570	7.5
152.10741	0.6
153.12750	0.8
156.06558	0.4
164.14386	1.6
166.12323	0.9
166.15814	0.9
168.06551	1.2
172.09755	0.6
178.15858	4.5
179.14378	0.6
180.10236	1.0
186.11256	1.9
192.13776	0.7
194.15419	2.3
196.09740	0.5
198.11418	0.5
210.11101	2.0
210.14864	3.4
210.18500	0.4
211.12033	0.6
225.99568	0.5
236.16553	0.9
238.14340	0.9
240.15939	100.0
241.14067	0.4
241.16327	1.8
242.17509	5.7
284.18558	58.0
284.29254	0.9
285.03976	0.8
285.18878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.099
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01862	0.3
56.05040	0.2
56.96566	1.3
57.03412	0.3
70.06586	0.8
70.12833	0.6
70.59985	0.2
74.06083	0.2
82.06586	0.2
83.08279	0.2
84.08115	0.3
86.09721	0.3
87.91152	0.2
91.83396	0.2
98.97604	0.9
109.05129	0.7
110.03529	1.9
110.07169	0.8
116.98632	0.7
118.31654	0.2
119.01952	0.2
121.13224	0.2
128.04570	0.8
133.09943	0.2
134.04588	0.3
134.99678	0.4
135.03023	4.9
136.01361	0.2
136.06195	0.6
147.58771	0.2
152.05684	100.0
153.02859	0.4
153.04088	6.4
153.06033	0.4
154.31740	0.2
169.61081	0.2
177.00912	0.5
185.07501	0.2
202.03847	0.6
206.07069	0.2
213.12354	0.3
219.02013	0.6
224.08064	0.6
243.01994	0.4
259.96826	0.2
260.99573	0.5
261.03079	3.7
262.03094	0.3
266.08942	0.3
279.00671	0.7
284.09970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44692	1.3
53.03942	1.8
53.56086	1.2
55.01840	1.4
55.05524	1.9
56.05032	3.0
57.03432	1.7
67.05502	3.9
68.05827	1.5
69.07063	3.3
70.06596	40.3
70.18076	4.8
72.08150	5.7
72.89422	1.2
74.06086	1.7
79.05509	3.1
80.04999	3.1
80.58795	1.3
81.03416	2.7
84.04504	4.0
84.08138	4.8
85.22128	1.3
86.06063	1.9
86.09718	11.5
91.05493	2.3
92.39806	1.5
95.04960	1.9
95.08590	1.9
98.21038	4.0
103.05473	44.1
108.08103	2.0
110.07153	4.6
112.07604	21.2
117.07111	1.4
119.08595	1.5
120.08082	3.6
121.10189	1.5
122.06009	1.7
123.95191	1.5
124.88836	1.3
126.05529	1.9
129.10237	2.8
129.71547	1.4
131.04935	100.0
137.05954	1.7
140.07077	10.1
152.05647	4.3
161.04765	1.3
163.06265	2.9
163.07558	34.5
163.11221	2.4
165.00931	1.4
174.36320	1.4
178.08665	2.0
179.21092	1.3
181.63779	1.4
189.53706	1.4
206.08128	4.4
218.08043	1.5
238.10832	1.6
266.14063	1.5
284.11783	1.8
284.15091	5.7
284.18436	2.0
284.29602	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	283.2058
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
50.18366	3.1
52.87440	2.8
53.03943	4.1
55.05498	15.2
57.03436	4.2
57.07090	3.5
65.03930	2.9
67.05508	27.6
69.03436	7.5
69.07073	16.0
71.04991	10.3
79.05494	31.4
81.07066	49.2
83.04978	8.0
83.08621	7.5
91.05479	32.7
93.07050	57.8
95.04980	11.9
95.08611	39.7
97.06528	7.3
97.10107	4.0
98.21118	15.7
99.08081	3.2
103.05470	4.3
105.07036	59.1
107.08603	41.8
109.06505	11.0
109.10159	21.4
110.97899	2.8
111.08101	4.7
117.07013	14.2
119.08595	39.5
121.06494	8.4
121.10146	100.0
123.08085	11.5
123.11719	9.7
128.06241	3.8
129.07021	6.7
130.07800	4.3
131.08572	46.6
133.10135	32.2
135.08026	11.3
135.11705	10.1
142.07800	6.6
143.08586	18.9
144.09360	3.8
145.10123	46.1
147.11684	11.7
149.09593	3.4
149.13393	3.1
155.08646	5.5
157.10201	15.5
158.10886	7.1
159.11740	17.6
161.09630	28.4
161.13193	4.3
163.11214	7.1
163.14854	6.2
169.10109	5.9
171.11707	15.9
173.09613	5.4
173.13272	88.1
175.11314	4.6
175.14828	10.8
179.08556	4.3
181.10143	6.9
183.11725	4.8
185.09587	5.0
185.13284	7.7
187.14836	9.6
191.14316	12.2
193.10104	3.6
195.11775	10.4
197.13290	4.7
199.11282	3.3
199.14897	3.9
201.16367	4.2
208.12337	3.4
209.13251	12.9
211.14883	4.4
213.12741	3.7
213.16368	3.0
223.14943	8.0
224.15323	3.4
225.16414	7.0
227.14464	5.5
265.19748	17.3
283.17328	6.5
283.20538	94.3
283.23492	4.9
284.29608	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	283.1905
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
50.16916	2.6
50.62719	2.7
53.03945	3.9
55.01860	6.2
55.05509	33.3
57.03412	3.8
57.07074	3.0
67.05505	43.9
67.58432	2.5
69.03439	3.0
69.07062	11.6
70.39616	10.0
71.04995	5.1
79.05507	30.3
81.07056	30.8
83.01331	6.4
83.04974	11.5
83.08624	18.4
85.02908	5.8
86.38203	2.5
87.38133	3.1
89.06019	3.1
91.05494	18.4
93.07040	39.9
95.04974	6.2
95.08620	25.0
97.06506	6.2
97.10161	15.9
98.21021	4.8
99.60307	2.5
105.07032	11.9
107.04909	4.3
107.08604	21.2
109.06521	4.6
109.10159	20.2
111.04449	10.5
111.08070	21.1
113.06055	3.0
113.77438	2.7
117.07020	8.1
119.08575	14.0
121.06505	13.7
121.10186	16.5
123.08060	4.9
125.09623	12.4
131.08571	6.2
133.10110	8.1
135.08046	7.4
135.11662	4.3
137.09605	7.8
139.07549	22.3
145.10168	13.0
147.11708	6.5
153.09091	8.1
159.11745	2.8
161.09665	3.4
163.11255	5.5
164.97757	4.3
171.11618	3.0
172.21960	2.6
173.11726	7.3
173.13174	2.8
189.11208	10.7
191.10736	3.5
201.16383	3.6
209.11719	2.9
219.17426	7.0
237.18492	26.8
247.16867	15.3
265.17984	100.0
283.16733	8.5
283.19351	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	283.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
55.01875	24.0
55.05513	37.2
57.03435	17.7
57.07078	10.5
57.51925	5.0
65.03945	8.7
67.05505	89.6
68.05841	8.4
69.03426	12.1
69.06715	7.9
69.07069	74.3
70.06585	15.1
71.04991	16.1
71.08627	6.9
71.31645	8.9
74.69745	4.3
79.05498	84.2
80.05817	7.4
81.03410	16.3
81.07066	100.0
82.07348	5.8
83.04972	16.4
83.08606	24.0
84.04489	8.1
84.08141	11.4
85.02914	6.4
85.06565	9.8
86.06055	12.9
86.09687	9.3
87.04459	10.9
89.05952	4.9
90.12624	5.1
91.05485	62.2
92.05791	4.9
93.07047	84.0
95.04955	34.1
95.08612	91.0
96.08952	11.7
97.02897	14.4
97.06539	24.8
97.10172	9.3
98.20743	8.1
98.21317	6.1
99.04446	7.2
99.08092	9.4
100.11309	7.5
103.05462	12.3
104.07101	10.2
104.32623	5.3
105.07023	39.6
107.04958	23.7
107.08592	50.1
109.06520	20.4
109.10139	37.4
110.10465	7.9
111.04440	11.1
111.08080	6.2
112.07600	7.9
113.05990	9.9
117.07005	21.5
119.08586	40.0
120.08125	8.9
121.02871	5.9
121.06507	17.3
121.10160	41.6
123.04430	5.7
123.08066	23.4
123.11728	10.5
127.03886	5.7
127.07499	6.1
129.06995	11.4
130.06546	43.4
131.04875	7.7
131.08580	33.2
132.24448	5.3
133.06552	7.0
133.10136	22.5
134.09685	10.7
135.08034	30.4
135.11674	28.2
136.07637	6.9
137.09564	16.9
139.11156	7.4
143.07028	18.2
143.08563	12.9
145.10149	44.0
146.06042	6.5
147.08086	12.1
147.11649	8.0
148.07553	5.7
149.09613	34.0
149.13321	6.3
153.06979	5.5
156.13855	6.5
157.10150	11.7
159.08017	5.4
159.11673	13.6
161.08266	5.1
161.09682	6.3
161.13300	5.5
163.11197	28.8
165.06985	8.1
165.09216	8.2
165.35126	5.0
169.10040	6.8
173.09633	18.3
173.13217	11.8
175.11279	6.3
177.09009	12.1
181.12323	15.9
183.11737	7.3
185.13170	7.9
187.11301	7.3
187.14792	12.0
191.10667	18.4
195.11665	6.3
197.13280	6.2
201.16365	7.9
203.14110	5.7
209.11745	9.4
211.14873	8.7
219.17528	11.0
227.12732	8.6
229.07449	6.8
229.15849	21.6
240.09000	5.9
241.09575	8.6
247.16925	47.4
265.13937	5.9
265.17899	30.2
266.12656	15.0
283.06476	5.0
283.10709	25.8
283.15311	77.5
283.20941	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.7
55.01881	12.4
55.05516	43.2
56.20483	2.2
57.03428	4.6
57.07069	3.7
67.05508	19.1
69.07074	23.4
69.46651	13.0
69.47053	3.1
71.04997	3.2
72.23259	2.1
74.12822	2.0
75.98289	1.9
79.05053	3.0
79.05497	38.9
81.03419	3.3
81.07063	35.5
83.04987	10.2
83.08625	77.8
85.02895	5.5
87.70499	2.0
91.04943	3.7
91.05485	36.3
93.07052	49.4
93.70216	2.1
95.04973	7.0
95.08617	14.3
97.06534	8.3
97.10178	5.6
99.04450	7.7
105.07051	13.6
107.04955	4.4
107.08604	62.6
109.06519	7.7
109.10165	8.9
111.04436	7.7
111.08097	26.1
111.11709	2.4
113.06012	4.0
117.07020	21.2
118.17669	2.0
119.08580	15.3
121.06533	2.7
121.10156	17.9
123.08134	2.8
123.11678	2.4
125.09630	21.5
127.12834	2.2
129.07021	3.5
130.06537	100.0
131.08569	18.5
133.06464	2.6
133.10129	10.1
135.08054	7.8
135.11702	6.9
137.09621	10.6
139.11168	7.2
143.07074	4.0
143.08553	3.0
145.06528	2.6
145.10170	12.1
147.11642	5.0
149.09612	22.1
151.11229	2.9
152.07101	2.7
153.09103	18.1
154.08662	3.5
159.11720	5.8
163.11191	7.0
164.57544	2.0
165.09152	3.4
166.71394	2.3
167.10706	4.8
173.13269	3.2
177.09122	2.5
191.10643	3.1
201.16417	30.4
209.11763	3.9
219.17459	77.6
227.12833	2.7
229.15863	4.8
247.17017	21.4
251.11853	6.6
265.18011	19.7
283.14316	3.4
283.19196	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1904
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
52.43259	10.9
55.01865	30.3
55.05515	73.9
55.36833	9.5
55.89986	10.0
57.03425	32.7
57.07069	25.0
60.04506	9.7
65.03947	8.9
67.05515	93.9
69.03430	18.4
69.07076	63.0
70.71122	9.2
71.04977	22.4
71.57111	12.6
79.05496	78.5
81.07066	100.0
83.04975	23.3
83.08614	36.6
89.06023	11.5
91.05466	53.6
93.07039	92.6
95.04958	21.4
95.08614	91.1
97.02839	11.5
97.06540	21.1
97.10188	22.3
99.04477	11.4
99.08105	23.1
105.07026	31.7
107.04977	22.2
107.08595	77.9
109.06486	27.8
109.10156	30.4
111.04463	17.4
111.08082	21.2
116.90173	12.0
117.07016	13.5
119.04932	16.2
119.08589	38.9
121.06511	29.1
121.10142	32.5
123.08089	28.3
123.11736	14.5
125.09636	26.8
127.07635	10.7
130.06497	10.0
131.08553	38.3
133.10120	32.5
135.08064	33.3
135.11697	29.2
137.09572	24.3
143.08490	14.5
145.10104	31.8
149.09648	46.1
149.13307	12.7
153.09135	20.6
159.11658	11.3
163.11208	26.0
171.11734	18.8
173.13283	10.9
181.12198	11.3
185.13243	11.0
187.14819	13.1
189.11176	17.9
191.10551	12.0
201.16472	18.0
209.11700	12.6
211.14908	13.1
211.96303	11.3
219.17448	19.7
229.15878	26.9
247.16933	62.2
254.14278	9.5
265.17792	54.1
283.15408	28.1
283.20676	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	283.1904
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
52.05919	1.5
53.03937	2.8
55.01873	20.5
55.05505	16.5
57.03428	4.7
57.07065	2.4
65.03943	2.2
67.05166	2.2
67.05503	35.2
69.03436	2.2
69.07067	56.3
70.06573	1.6
70.07394	1.5
70.98078	3.5
71.04976	4.5
71.08594	1.8
72.35198	1.4
73.06535	2.5
79.05491	67.8
81.03403	4.7
81.07056	52.0
83.04971	14.2
83.08621	8.0
85.02873	2.7
85.06549	2.0
91.04894	2.2
91.05472	39.4
93.07043	35.2
95.04963	6.5
95.08037	2.7
95.08602	30.6
97.06522	16.5
97.10157	3.4
99.08060	2.9
105.07027	20.6
107.04939	6.3
107.08592	100.0
109.02851	1.8
109.06516	8.1
109.10152	9.7
111.04412	3.6
111.08035	3.9
113.05991	4.9
117.07016	12.3
119.08582	19.2
119.09355	2.2
121.06526	3.2
121.10142	26.3
123.08086	7.3
123.11670	2.5
125.05934	4.2
125.09630	40.8
129.06984	2.5
130.07805	1.4
130.98357	1.7
131.08565	54.4
133.06447	2.0
133.10138	16.1
135.08029	5.6
135.11702	8.8
137.09636	5.6
139.11168	6.8
143.07024	17.2
143.08542	2.9
145.10129	15.5
147.11699	4.2
149.09613	18.2
149.13289	1.6
151.11278	2.1
153.09096	14.4
153.84315	1.5
157.10075	2.7
159.11687	9.1
161.08093	5.5
161.09561	2.3
161.13283	2.0
163.11163	6.5
165.09082	3.8
167.10649	10.4
172.84494	1.4
173.09557	2.0
173.13246	10.5
177.09099	4.2
179.10617	2.8
181.12073	1.4
183.10139	1.7
191.10670	4.1
194.29129	1.6
195.10161	6.5
201.16370	29.9
203.18028	1.7
205.12103	2.2
209.11652	2.1
211.14883	2.5
219.17415	11.6
226.07185	1.5
227.12737	1.7
229.15875	7.0
247.16914	15.9
265.17975	9.6
283.06445	1.9
283.15295	6.3
283.19183	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02414	0.6
53.03949	2.9
55.01871	3.5
55.05507	6.2
56.05012	0.7
57.03437	12.7
57.07089	1.1
65.03947	1.0
67.05502	7.7
69.03429	5.0
69.03743	0.8
69.07065	2.8
69.64458	2.3
69.64870	1.8
70.06590	2.1
71.04989	3.1
77.03939	0.7
79.05493	31.4
81.03416	1.6
81.07056	10.6
83.04996	3.4
83.08617	1.4
84.08128	1.5
85.06543	1.9
91.05480	17.4
93.07044	68.5
95.04968	7.0
95.08591	4.6
97.06544	4.8
98.21302	2.0
99.04471	4.6
100.11251	1.4
101.01242	0.8
101.05987	1.1
103.05470	0.8
105.07032	28.0
107.04959	3.3
107.08595	100.0
109.06519	4.8
109.10160	1.9
111.04439	1.7
111.08073	2.0
112.07602	1.4
113.05986	1.7
115.05468	1.1
117.05485	1.4
117.07001	4.9
117.14705	0.9
119.06044	0.8
119.08583	11.8
119.09364	1.3
120.08073	1.2
121.06505	14.8
121.10139	33.7
123.08047	1.3
127.07556	1.3
129.05450	3.2
129.06995	1.4
130.07777	2.1
131.08554	2.8
133.06435	0.9
133.10117	1.4
135.08060	9.8
135.11696	21.2
137.09563	0.7
139.07539	1.2
143.08588	1.3
145.10126	25.4
147.08047	1.0
147.11676	2.4
149.09610	12.1
155.08551	0.9
163.11183	53.2
167.10712	1.1
169.08618	1.0
173.09587	5.4
181.12238	5.9
191.08890	1.4
191.10669	24.7
209.11688	6.1
220.08490	1.0
222.06297	0.9
226.07375	0.9
227.12810	1.4
235.10768	2.7
236.07903	3.2
240.07803	0.9
247.13214	0.7
251.10210	4.7
265.14343	2.7
266.12592	11.5
268.07285	0.9
283.10007	2.7
283.15393	39.0
283.20459	1.5
284.16412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01873	5.2
55.05510	11.9
57.03181	1.0
57.03436	11.1
57.07059	1.3
58.97989	0.5
63.19592	0.6
65.03940	1.4
67.05167	1.0
67.05507	18.6
69.03422	1.5
69.07072	6.5
69.43104	2.8
69.43525	2.2
71.04987	2.0
73.02924	1.4
79.05493	30.2
81.03420	2.6
81.07061	17.8
82.66753	0.6
83.04977	3.9
83.08622	7.1
85.02900	0.7
85.06515	1.0
91.05481	10.0
92.58883	0.6
93.07045	40.8
95.04974	6.9
95.08609	38.2
97.02892	4.7
97.06529	3.5
97.10185	0.8
98.20652	1.1
99.04462	4.8
103.05500	0.8
105.07039	7.5
107.04959	10.9
107.07861	1.4
107.08594	28.6
107.57687	0.6
109.06500	2.1
109.10155	2.6
111.04446	1.6
111.08093	1.1
117.07017	11.1
117.66428	0.8
119.08578	9.1
121.06508	6.1
121.10139	13.5
125.06001	3.0
128.84503	0.7
129.07042	0.9
130.07777	2.6
133.10100	1.9
135.08047	2.5
135.11696	44.5
139.07538	2.2
143.08568	1.2
145.06488	1.5
145.10132	28.3
153.12775	1.0
155.08594	0.7
163.11185	68.4
164.11536	1.0
173.09610	1.1
181.12241	15.0
209.11725	3.1
227.12781	100.0
228.13341	0.8
283.15381	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01878	7.4
55.05512	18.4
55.53947	1.1
57.03437	17.9
57.07050	1.3
65.03941	1.7
67.05170	2.0
67.05507	31.5
69.03418	1.8
69.06717	1.4
69.07068	12.7
70.06575	4.3
71.02959	1.4
71.03293	2.8
71.04974	3.7
71.49986	1.1
79.05493	43.5
81.03399	5.7
81.07060	28.0
82.84660	1.3
83.04984	7.5
83.08620	10.2
85.06535	2.3
89.43034	1.2
91.05478	15.7
93.06467	2.3
93.07047	45.0
95.04984	11.4
95.08608	43.2
97.02888	4.7
97.06550	7.5
99.04442	5.4
103.03897	1.4
105.07043	10.6
107.04967	13.9
107.08596	31.3
107.54207	1.2
109.06509	4.1
109.10164	3.6
111.04416	7.0
111.08037	2.3
112.07563	4.4
113.06014	2.8
117.07003	15.8
119.08582	11.1
121.06506	6.7
121.10136	16.9
124.07563	1.3
125.05978	5.2
129.07018	2.1
130.07777	3.0
131.08560	4.9
133.10100	2.8
135.08025	5.3
135.11696	60.2
139.07544	2.7
140.07144	1.7
143.08620	2.0
145.06488	3.1
145.10126	34.8
147.08047	1.5
149.09671	1.9
151.58427	1.7
155.08521	2.3
161.09622	1.5
163.11186	73.0
173.09607	5.9
181.12262	16.2
182.77420	1.3
191.08739	2.3
191.10664	6.0
191.57968	1.3
192.08942	11.4
200.97459	1.2
209.11736	9.6
219.07999	2.3
220.08377	10.4
221.09152	2.0
227.12778	100.0
237.08728	2.7
238.14368	2.0
252.11005	9.4
255.15871	4.8
265.14285	1.5
279.76135	1.4
283.10074	3.4
283.15363	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01880	4.3
55.05510	12.9
55.49821	0.9
57.03439	13.8
57.07064	0.9
65.03928	1.3
67.05505	23.3
69.03411	2.1
69.07065	10.4
69.45222	6.3
70.06594	1.7
71.04979	2.6
72.31976	0.7
79.05491	33.8
81.03405	3.8
81.07058	20.5
83.04993	5.4
83.08619	9.8
85.02921	0.8
91.05482	12.1
92.37214	0.9
93.07047	46.3
95.04971	9.7
95.08607	38.3
97.02879	5.1
97.06546	7.1
97.10174	1.0
99.04459	4.4
105.07034	8.2
107.04950	9.8
107.07858	1.6
107.08592	31.9
109.06512	2.2
109.10150	2.8
111.04446	4.2
111.08099	1.9
112.07618	1.2
117.07011	10.4
119.08568	11.0
121.06493	6.8
121.10145	18.0
123.04509	1.0
125.06020	3.0
129.06995	1.6
130.07791	2.5
131.08578	1.7
133.10159	2.9
133.97725	0.8
135.08078	2.6
135.11691	49.7
139.07515	1.8
140.27911	0.9
143.08600	1.2
145.06528	1.3
145.10123	30.3
147.08041	1.2
149.09601	1.2
153.12802	1.9
155.08466	1.1
157.10181	1.0
163.11183	69.5
173.09647	3.3
181.12242	14.7
191.10680	2.9
209.11774	3.6
227.12779	100.0
255.15843	2.7
283.10614	1.6
283.15451	34.2
301.20435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.129
Annotation	Thr-Tyr
Peak:m/z	Relative Intensity
55.05507	1.7
56.05037	21.5
56.96569	11.4
57.03446	3.7
57.07071	1.5
58.06603	5.0
60.95837	1.3
61.02896	1.3
62.50848	0.8
64.95538	0.9
67.05500	2.1
68.05024	0.7
69.07058	2.0
70.06593	6.3
71.08612	1.6
71.58120	1.0
72.08149	2.7
74.06082	100.0
75.04496	1.5
81.07052	1.9
83.08602	1.2
84.04501	5.0
84.08142	6.1
85.02901	1.9
86.09724	1.3
89.03901	1.1
91.05479	5.2
93.07022	0.8
95.06065	1.1
95.08636	0.7
97.06513	1.2
98.97587	14.9
99.97872	0.9
101.00890	1.2
101.07169	0.8
102.05538	0.9
102.96870	5.6
103.05417	1.0
107.04936	2.1
110.07181	3.4
112.07559	1.0
113.07165	2.3
114.96808	1.0
116.98634	10.9
117.98830	0.8
119.01941	1.9
119.04949	8.3
120.08125	2.0
120.68432	0.7
120.97921	4.1
123.04417	8.7
128.00223	1.4
128.98642	1.8
129.10204	1.1
131.05524	1.0
132.97934	1.9
134.01221	0.9
134.99660	9.6
135.04402	1.7
135.06772	1.7
136.06209	9.1
136.07587	37.9
138.98909	3.4
144.04726	1.6
146.99619	1.9
147.04437	6.5
149.06645	1.3
150.07733	7.7
150.98959	1.4
151.08154	7.7
152.05692	26.1
152.06952	1.3
153.00726	1.3
153.04097	1.3
154.94170	1.4
158.01253	1.3
161.01163	1.1
162.98964	1.8
163.03879	2.0
165.00630	1.1
165.04137	1.7
165.05472	18.3
172.02820	1.5
172.95239	1.4
174.09186	1.5
174.99088	1.6
176.07655	1.0
177.00900	2.8
181.00050	4.6
182.08142	38.8
183.05096	1.3
184.02733	1.8
185.02888	1.2
186.04466	1.3
192.10216	0.9
193.00197	3.9
193.03560	2.7
201.02438	1.5
202.03812	5.4
202.09166	1.6
205.00166	1.1
209.03004	2.2
211.01123	1.6
211.04613	0.8
219.01967	3.3
220.10368	1.6
221.02965	1.9
227.04018	2.9
229.11998	1.1
232.04678	1.5
233.03479	1.5
237.02559	2.1
237.12331	8.9
239.04085	1.0
242.01585	3.0
250.05634	1.7
255.03510	2.8
259.99985	2.2
260.04184	3.1
260.09866	2.3
261.02869	1.8
265.11798	4.4
273.02704	0.9
277.02600	2.2
278.01016	5.8
278.05060	3.2
283.06052	1.4
283.12909	10.2
285.00977	1.2
286.98331	1.5
301.02457	1.4
301.06509	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.3
53.09118	0.3
54.12256	0.2
55.05533	0.7
56.05042	0.3
57.03452	0.4
59.05023	0.8
60.40625	0.2
61.02938	0.6
66.84648	0.2
67.05521	0.3
69.25317	1.4
69.25751	0.9
70.06613	1.1
71.04994	8.9
72.08172	0.5
79.05511	0.6
81.07057	2.9
84.04520	1.0
84.08163	1.1
85.02923	0.4
86.09733	0.7
88.03985	0.3
91.05481	0.5
93.07075	0.4
98.20729	0.6
99.80264	0.3
103.05421	0.5
105.07076	0.3
108.08130	0.5
109.05126	0.7
110.03530	3.3
113.09641	4.2
119.08600	0.3
120.08104	3.2
128.04582	2.0
129.10310	0.3
130.05032	0.6
131.05054	0.3
134.04622	0.3
134.09647	0.4
135.03012	2.7
137.06021	0.6
147.04385	0.3
152.05678	100.0
153.04076	8.9
153.14624	0.5
154.02452	0.3
161.06088	0.4
164.11839	0.3
166.07240	1.9
166.08563	0.4
167.05751	0.3
232.11873	0.7
250.12866	0.7
259.04517	0.3
282.08023	0.4
282.15527	8.4
282.21866	0.4
283.09854	0.3
283.15475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54294	0.2
51.17952	0.2
53.49334	0.2
55.05507	0.8
57.03431	0.5
59.05007	1.5
61.02921	1.6
69.74605	1.0
70.06583	0.4
71.04991	3.5
72.08151	0.3
79.05476	1.3
80.29948	0.2
81.07057	5.9
84.04511	0.3
84.08134	0.2
86.09718	0.2
87.08108	0.5
93.07027	0.3
93.60716	0.2
98.21232	0.6
99.08097	0.4
103.05456	0.3
105.07032	0.3
109.05161	1.0
110.03525	3.2
113.09657	0.7
118.77727	0.2
120.08099	1.7
128.04565	1.5
134.04575	0.4
135.03023	6.2
136.01442	0.2
149.04597	0.4
152.05676	100.0
153.04082	10.2
153.05092	0.2
153.06004	0.4
154.76086	0.2
166.07254	4.7
167.05678	0.6
172.07597	0.2
174.12737	0.4
200.07063	0.2
218.08131	0.6
220.13339	0.7
232.11925	0.6
236.09146	0.3
250.13025	1.9
264.14462	0.2
282.15601	23.5
283.15915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1488
Annotation	Bharatamine
Peak:m/z	Relative Intensity
53.03943	0.9
54.68890	0.3
55.05500	1.1
62.70279	0.3
67.05503	1.1
70.36693	0.7
70.37091	0.6
77.03919	0.6
79.05489	28.7
81.03413	0.4
81.07046	0.6
91.05470	1.0
93.07031	3.3
95.04956	1.7
95.08626	1.6
98.21597	0.3
103.05463	69.5
104.05772	0.5
104.07121	0.3
105.04557	0.6
105.07021	4.0
107.04950	33.9
107.08604	0.7
117.07019	1.0
118.06532	3.8
119.07314	3.1
119.08598	0.5
120.22292	0.3
121.06481	1.8
131.04924	24.4
132.08144	0.4
134.09647	60.1
135.10025	0.6
135.11674	0.5
143.60477	0.3
145.10063	0.4
147.10458	0.3
149.05989	2.3
163.11179	0.9
227.12657	1.5
265.12323	0.5
282.14865	100.0
283.15256	1.6
295.82120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01855	0.7
55.05520	2.5
56.05027	0.5
57.03428	0.4
58.99587	4.5
65.03937	0.6
67.05513	3.7
68.05018	0.4
69.07063	1.8
70.06596	1.8
70.06898	0.3
70.57339	0.8
70.57669	0.4
72.08142	0.7
73.01122	0.4
79.05489	4.1
80.04996	2.2
81.03416	1.4
81.07056	3.9
82.06564	1.0
83.08604	0.7
84.04499	0.5
84.08134	0.5
85.01103	1.0
86.00644	1.9
86.09702	1.0
86.99051	4.3
87.02679	1.4
88.02199	1.5
91.05500	2.3
91.05973	0.5
93.05782	1.9
93.07053	2.6
94.06553	1.4
95.04958	0.7
95.08611	3.2
96.08098	0.6
97.88831	0.4
98.21049	0.6
101.04225	1.3
105.00095	2.0
105.07043	3.6
106.06560	1.3
106.07349	1.5
107.07367	0.7
107.08599	2.8
108.08118	24.9
109.02901	3.2
109.10144	1.9
110.07184	0.4
110.09656	2.2
111.02667	0.4
112.02193	2.3
113.04204	1.2
113.86716	0.4
117.06933	0.4
118.06567	0.4
119.08578	2.2
120.08090	2.2
121.08885	0.8
122.08869	0.4
122.09679	4.7
123.02639	0.4
124.11257	1.9
125.04250	0.4
132.01141	2.1
132.08076	0.6
133.09196	0.3
133.10117	2.4
134.09642	2.1
134.10506	0.9
135.11722	0.4
136.11217	1.2
137.04219	0.6
138.03706	0.9
139.05721	0.6
140.05315	2.3
143.07014	0.5
146.02716	0.6
147.08009	0.5
148.11179	2.0
150.05437	0.4
150.12770	1.3
151.05789	0.5
151.14795	1.1
152.05525	0.4
152.14384	0.3
158.02751	1.0
159.04720	0.9
160.11249	0.5
161.09634	0.7
161.13246	1.4
162.09967	1.5
162.12877	0.5
163.14972	0.4
163.97836	0.4
166.06865	4.9
166.08456	0.5
167.07643	0.5
168.08415	0.7
173.06294	1.4
175.07796	0.4
176.14354	3.5
177.15144	1.3
178.15916	3.9
180.08458	2.4
181.09175	1.1
182.02721	1.6
183.03505	0.7
184.04396	0.7
190.09337	0.5
192.10307	0.4
193.10393	0.7
195.12062	1.1
210.05829	1.0
210.13148	2.3
212.07405	28.9
213.07948	1.1
218.60631	0.4
223.13307	0.5
236.14694	1.4
254.11963	0.4
282.15225	100.0
283.15582	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1198
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
55.01873	0.6
55.05512	0.4
56.05033	0.3
56.96563	0.9
57.03431	0.8
57.07073	0.2
60.04528	0.3
61.02931	0.2
69.03433	0.4
69.07066	0.4
70.06575	0.7
71.01353	0.3
71.57957	0.3
72.08160	1.4
73.02916	0.4
73.08472	0.2
84.04487	0.3
84.08149	0.9
84.08603	0.2
85.02901	0.8
86.09708	0.3
87.02676	0.2
91.05473	1.1
92.02447	0.2
92.05804	0.8
92.95837	0.2
97.10230	0.2
98.97582	1.2
103.03896	0.2
108.05595	0.6
109.05116	0.6
110.07153	0.3
110.97585	0.2
114.44891	0.2
115.03884	0.3
116.98612	0.9
118.06532	1.0
119.04952	0.4
120.04469	0.2
120.05287	0.4
120.08109	1.8
121.08447	0.6
128.98645	0.4
129.10263	0.3
132.62154	0.2
133.05098	5.8
134.09650	0.5
134.99663	0.7
136.06192	5.1
136.07567	2.4
137.07921	3.1
145.02837	0.2
146.05992	0.2
146.99675	0.6
150.07755	100.0
152.05685	0.3
158.99606	0.3
162.94090	0.7
165.22191	0.2
167.00017	1.1
168.00835	0.2
169.05855	0.2
170.99661	0.3
176.00035	0.5
177.00789	0.5
177.05589	0.3
178.01617	0.7
185.01013	0.5
189.00720	0.5
194.01117	2.5
196.02727	0.2
222.00528	0.3
250.12985	0.3
264.05396	0.3
282.02905	1.2
282.11960	10.8
282.15140	1.1
282.22116	0.7
284.02942	0.3
300.02579	0.3
300.06216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1198
Annotation	1-Methyladenosine
Peak:m/z	Relative Intensity
51.76369	0.2
55.01867	0.9
55.05510	0.2
56.05037	0.2
57.03444	1.1
57.04108	0.2
57.04557	0.3
60.13966	0.2
69.03416	0.5
69.07063	0.8
70.02917	0.2
70.06616	0.9
70.97581	0.4
71.01344	0.4
72.08160	0.9
73.02915	0.6
74.06075	0.5
79.05492	0.2
81.07043	0.2
83.92494	0.2
84.04499	0.3
84.08148	0.9
85.02899	0.9
86.09711	0.9
88.04001	0.3
91.05469	0.2
94.04060	1.6
97.02880	0.3
97.06537	0.4
98.97572	0.3
112.05102	0.2
115.03938	0.3
119.03544	0.5
120.08082	1.0
121.08436	0.7
123.06670	0.8
123.07973	0.2
127.08568	0.2
129.10237	0.7
133.05083	0.3
134.09662	0.3
135.05402	0.2
136.06190	26.2
137.04588	0.3
137.06621	0.4
150.07758	100.0
156.51331	0.2
163.97646	0.2
166.08638	0.3
167.08955	0.4
173.12828	0.4
186.92017	0.2
201.07532	0.2
203.07147	0.2
236.10895	0.2
250.12997	5.7
250.15471	0.4
282.11963	11.2
282.15601	11.1
282.18851	0.4
282.21951	1.1
282.27628	0.2
300.06189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56731	5.4
74.67198	3.7
75.60885	3.3
85.02860	4.3
94.93016	28.0
98.20953	4.1
98.97612	18.3
116.98571	6.2
119.76888	3.9
128.98647	4.4
130.89313	3.5
136.77637	3.1
147.03963	4.5
150.07756	100.0
150.08936	5.8
162.04417	3.6
168.15439	3.7
170.99683	4.8
173.03120	3.9
174.04564	4.1
176.93538	11.4
177.00838	4.8
183.05020	7.2
189.00708	4.9
192.05647	7.6
196.94435	5.9
212.96265	3.2
282.01987	5.4
282.04874	66.3
282.11935	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	281.1749
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
52.24028	1.5
53.03935	4.3
55.01868	11.2
55.05297	2.0
55.05512	19.2
57.03435	4.1
57.07060	5.5
67.05505	36.2
69.03413	4.6
69.06784	1.6
69.07072	21.1
70.27952	5.6
70.28292	1.8
71.04984	3.0
74.41476	1.7
79.05491	42.2
80.24072	1.5
81.03407	3.6
81.07057	100.0
83.01368	4.1
83.04971	6.5
83.08624	10.0
85.02914	1.7
85.05390	1.8
85.06537	3.3
91.04949	2.9
91.05472	30.0
93.07043	37.9
95.04979	12.0
95.08604	68.8
95.39066	1.5
97.02894	1.9
97.06519	7.1
97.10140	5.0
98.20940	3.1
99.08069	2.7
103.05453	2.0
104.72150	2.1
105.07026	24.9
107.04951	9.0
107.08592	13.3
109.02860	2.4
109.06529	12.4
109.10162	8.6
111.04421	3.4
111.08073	14.2
115.05468	1.6
117.06992	6.6
119.04984	2.6
119.08583	19.6
121.06500	12.8
121.10168	8.9
123.04430	4.4
123.07178	3.4
123.08067	55.4
125.09621	2.6
128.06175	2.2
129.06990	7.7
131.08588	11.0
133.06477	10.1
133.10120	17.7
135.08047	12.1
135.11676	4.2
137.05994	2.1
137.09624	6.3
139.07536	17.8
139.11043	2.0
141.09059	5.5
143.08536	7.8
145.06424	2.3
145.10106	6.4
147.08069	8.4
147.11671	3.9
149.02289	2.0
149.05971	3.6
149.09612	6.6
150.02692	2.3
151.07533	33.1
151.11171	3.8
153.09100	3.7
157.08850	2.3
157.10117	7.5
159.08003	3.2
161.09642	19.3
161.13229	3.1
163.07530	3.4
163.11098	3.1
165.09113	21.8
167.08592	2.2
171.11697	2.0
173.13243	2.0
175.11168	3.7
179.10684	6.3
181.08574	9.2
185.09564	1.9
189.09056	4.5
189.16347	4.7
195.10138	5.5
199.14813	9.5
201.12651	1.8
203.10626	1.9
203.14305	2.8
207.10159	2.8
207.17587	2.0
217.15866	15.7
221.15276	2.1
227.14339	6.2
235.16951	21.4
245.15405	17.2
263.16425	20.8
266.73090	2.1
266.99945	1.8
273.94241	1.8
281.17490	25.7
299.06241	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	281.1747
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
55.01864	10.8
55.05506	16.0
57.03425	5.3
65.03921	6.9
65.91750	4.9
67.05508	38.5
69.06727	6.7
69.07072	100.0
69.32854	42.0
69.64009	4.9
73.06525	7.0
79.05492	58.2
81.03384	12.2
81.07058	63.3
83.04937	5.9
83.08614	6.3
91.05474	60.4
93.07051	40.4
93.23211	5.4
95.04950	17.9
95.08598	39.6
97.06532	23.3
97.10171	6.1
98.20718	9.1
98.21402	12.7
99.04445	6.0
105.07074	31.1
107.04949	13.3
107.08594	26.8
109.06490	11.2
109.10135	7.2
110.85851	4.8
111.08139	5.1
115.14720	4.3
117.07021	14.1
119.08563	42.6
121.06449	7.8
121.10136	30.2
123.04430	5.4
123.08089	24.0
125.06008	9.7
125.09613	12.0
129.07008	8.2
130.06514	12.2
131.08531	22.5
133.10132	16.9
135.08064	8.2
137.09596	9.7
143.07051	36.7
143.08566	19.8
145.10109	15.5
147.08032	19.8
147.11685	7.7
149.09624	12.5
151.07471	5.2
153.09077	13.6
157.10115	17.0
159.11693	5.5
161.08116	7.1
161.09570	10.4
164.07059	28.8
165.09111	42.8
171.11691	7.6
172.51341	4.9
173.13286	6.0
189.16333	10.0
193.31146	5.2
199.14761	29.4
199.88228	5.1
217.15825	34.6
227.14331	6.2
245.15398	22.6
263.16394	52.4
277.87949	4.7
281.12878	11.2
281.17578	18.4
281.25818	9.6
283.02948	5.8
299.05972	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	281.1749
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
50.17972	1.0
52.93162	1.0
53.03940	3.1
55.01872	8.8
55.05511	12.7
56.11111	1.2
57.03431	5.3
57.07074	2.7
58.14568	1.3
67.05508	27.3
69.03421	2.4
69.07075	12.9
69.74471	6.9
71.04994	3.9
71.08635	1.6
71.26025	1.1
79.05497	40.6
81.03420	3.1
81.07060	100.0
83.01349	4.8
83.04980	4.9
83.08634	4.2
85.02898	2.6
85.06551	2.5
86.06091	1.2
91.05477	22.4
93.07048	24.7
95.04974	9.0
95.08614	59.5
97.02911	2.3
97.06528	4.4
97.10165	2.7
99.04488	1.7
99.08102	4.3
101.02464	1.1
105.07037	19.9
107.04962	8.0
107.08588	11.0
109.02878	2.1
109.06531	8.3
109.10164	4.3
111.04450	4.3
111.08076	7.7
113.06013	1.1
115.05460	1.2
117.07027	6.6
119.08591	10.6
120.00989	1.1
121.06512	9.8
121.10160	5.4
123.04438	3.7
123.07176	2.5
123.08077	48.0
125.09631	3.0
128.06223	1.3
129.07007	5.0
131.08594	9.0
133.06503	8.9
133.10149	11.1
135.08070	8.8
135.11739	2.9
137.05962	2.2
137.09599	3.6
139.07545	11.0
141.06973	1.3
141.09126	5.5
143.08562	7.1
145.10124	4.0
147.08043	7.1
147.11693	2.0
149.05984	2.0
149.09633	3.0
151.07558	38.4
151.11230	2.1
153.09145	4.6
157.10136	4.9
159.08099	2.8
159.11674	1.8
161.09616	11.1
163.07599	3.1
165.09128	9.4
171.11658	2.6
175.11182	2.2
175.14845	1.6
175.96527	1.2
177.09125	1.5
178.13147	1.3
179.10649	5.5
181.08630	7.2
185.09744	1.6
185.13271	1.7
189.09119	4.0
189.12775	1.8
189.16411	3.5
195.10181	3.9
199.14821	8.2
203.10713	1.7
207.10187	3.0
217.15903	10.2
227.14331	3.9
235.16942	14.7
245.15381	11.2
257.94235	1.2
263.16394	16.0
281.17389	20.4
281.25836	1.2
299.06195	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	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.1
55.01866	6.8
55.05259	2.6
55.05509	35.3
57.03183	2.3
57.03439	33.8
59.04983	2.1
65.03934	4.5
67.05504	93.3
69.03409	2.5
69.07064	22.3
69.74924	9.7
70.06580	2.9
71.04978	4.5
72.08147	1.9
73.06543	3.1
74.71830	1.8
75.08231	1.7
79.05490	100.0
81.03405	15.7
81.07054	61.2
83.04983	35.5
83.08620	12.3
84.04519	2.0
85.06562	4.0
91.04633	2.0
91.05476	67.4
93.07043	77.3
95.04971	29.6
95.08606	41.3
97.02920	1.8
97.06517	9.8
97.10148	6.7
99.08074	2.8
105.07034	53.0
107.04939	5.0
107.08590	20.6
109.06524	12.0
109.10141	7.7
111.08066	2.6
117.07036	12.0
119.08581	30.6
121.06484	3.0
121.10132	6.5
123.08057	11.9
125.09575	2.3
127.07553	1.7
128.06226	4.6
129.06996	19.1
130.06541	10.5
131.08556	6.1
133.06468	2.6
133.10136	15.4
135.08096	3.1
135.11687	2.5
137.09598	2.3
143.06990	2.0
143.08560	10.8
145.10132	14.8
147.08018	5.7
147.11693	43.6
149.09607	2.1
150.02742	2.3
151.02950	2.0
161.09651	7.5
161.13248	15.4
163.11250	2.0
171.11702	30.7
184.99020	2.4
189.12802	10.9
189.55061	1.8
207.13821	12.0
245.15211	2.6
281.04694	3.3
281.12854	3.3
281.14435	2.1
281.17438	33.7
287.36108	1.8
299.06030	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	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03951	8.8
53.87947	1.4
55.01870	5.5
55.05257	1.9
55.05510	29.1
57.03437	30.4
65.03928	5.8
67.05504	80.0
69.03423	6.3
69.07065	15.1
69.48931	10.0
71.04980	3.4
73.06561	2.4
79.05493	100.0
81.03416	10.4
81.07057	61.5
83.04979	29.3
83.08615	11.8
85.06516	2.9
91.04887	2.0
91.05476	68.2
93.07045	73.5
95.04967	24.4
95.08604	39.0
97.06521	4.9
97.10170	3.9
98.21114	6.4
99.08075	1.5
103.05446	1.6
105.04507	2.0
105.07032	44.5
107.04960	3.5
107.08595	19.2
109.06528	8.7
109.10161	7.2
111.08092	3.1
115.05428	1.4
117.06999	8.3
119.08578	31.8
121.06507	3.8
121.10146	4.3
123.08075	8.5
128.06194	3.1
129.07005	15.1
131.08571	3.6
133.10136	20.7
135.07999	1.7
135.11682	3.8
137.09602	2.3
143.08556	12.0
145.10150	12.4
147.08012	6.0
147.11690	43.1
161.09647	6.0
161.13266	13.3
163.11180	2.4
171.11681	30.0
179.14270	2.0
189.12737	12.7
207.13788	14.0
281.17462	42.6
294.61066	1.6
299.06067	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
52.85975	1.3
53.03953	8.7
55.01858	5.1
55.05512	35.0
55.05916	1.5
57.03437	34.8
57.07064	6.3
65.03930	5.9
67.05508	90.5
69.03418	4.7
69.07069	22.5
70.06577	2.3
70.83921	2.9
70.84229	1.5
71.04977	5.1
71.08631	3.9
79.05497	100.0
81.03425	10.1
81.07059	72.3
83.04984	28.9
83.08610	13.7
84.67502	1.5
85.06543	2.1
91.05484	68.8
93.07050	74.1
95.04971	29.6
95.08612	45.4
97.06538	10.3
97.10175	8.2
99.08100	3.1
105.04546	2.4
105.07033	54.8
107.04967	6.7
107.08588	20.9
109.06534	11.4
109.10165	12.2
111.08070	2.6
115.05455	2.4
117.07041	10.8
119.08591	33.6
121.06527	3.5
121.10134	6.1
123.08068	7.9
123.11674	2.0
127.07523	1.8
128.06227	3.1
129.07021	17.5
130.06508	2.6
131.08577	3.5
133.10132	17.4
135.08014	2.7
135.11691	3.4
137.09602	3.1
143.08549	10.0
145.10117	9.4
147.08031	5.0
147.11690	37.8
156.52472	1.6
159.11635	2.0
161.09645	7.2
161.13268	15.5
163.11179	2.6
164.05646	2.1
171.11702	33.1
189.12746	13.8
197.13449	1.7
207.13771	12.9
245.15225	1.9
263.16415	3.1
281.04480	1.9
281.12701	2.9
281.17514	40.5
281.28104	2.1
299.06226	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	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01874	7.1
55.05511	27.2
57.03442	32.7
57.07067	5.2
62.74432	2.1
65.03931	6.1
67.05505	90.7
67.05872	4.6
69.03432	16.4
69.07071	21.0
70.46294	3.3
70.46622	5.0
71.04992	3.6
79.05493	100.0
81.03408	14.4
81.07058	74.8
82.27325	2.6
83.04977	31.3
83.08631	9.5
85.06524	5.6
87.80164	2.9
91.05478	64.5
93.07040	67.4
95.04972	28.6
95.08611	45.7
97.06541	8.9
97.10196	3.0
98.21143	3.5
105.07030	41.2
107.04966	5.9
107.08589	20.5
109.06525	21.6
109.10146	13.0
111.08070	4.3
117.07022	10.6
119.08593	35.6
121.06483	4.3
121.10147	6.9
123.08035	8.1
128.06267	5.1
129.07013	15.5
130.06549	8.6
131.08566	3.3
133.10103	16.4
135.11772	3.2
143.08559	11.3
145.10126	8.6
147.08014	2.7
147.11693	37.6
149.02428	3.5
161.09657	5.2
161.13278	21.7
164.07076	11.6
171.11678	28.6
189.12762	11.3
206.04465	2.8
207.13731	14.9
224.03908	2.4
257.38867	2.4
265.82907	2.3
281.17392	32.0
299.06213	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	281.1385
Annotation	(+)-Almuheptolide B
Peak:m/z	Relative Intensity
53.03948	2.7
55.01859	3.8
55.05511	6.4
56.05040	1.2
57.03440	10.1
57.07081	2.4
59.04985	1.3
65.03934	2.0
66.94345	1.0
67.05508	9.0
69.03437	13.2
69.07070	3.9
70.06621	4.6
70.99371	1.2
71.04992	4.8
72.08140	1.3
72.48907	1.2
73.69135	1.1
77.74637	1.0
79.05490	18.5
81.03425	3.6
81.07059	14.6
83.04990	1.9
83.08629	1.6
84.04513	2.2
84.08155	2.7
85.06545	1.9
86.09652	1.0
87.04480	3.1
91.05485	34.3
93.07043	18.3
95.04973	5.4
95.08079	1.5
95.08611	9.8
97.02884	6.1
97.06553	3.6
99.04455	5.7
103.03960	1.6
103.05518	1.5
105.07034	100.0
106.07372	1.2
107.04982	6.7
107.08605	27.0
108.08137	5.6
108.08817	1.2
109.02880	12.3
109.06495	6.2
109.10191	3.5
111.08071	1.6
113.05982	1.2
117.07013	4.8
119.01861	1.2
119.04934	7.6
119.08585	13.0
120.08118	2.8
121.06517	4.9
121.10126	1.7
123.04404	1.2
123.08078	4.8
123.11778	1.4
126.55984	1.2
128.06224	3.9
129.07028	2.1
130.06570	1.2
130.07739	1.5
131.07083	1.2
131.08580	4.8
133.06512	11.3
133.10133	96.0
134.10495	1.3
135.08054	1.7
135.11687	3.0
136.06219	1.3
137.05995	6.0
143.07059	30.4
143.08540	8.4
145.06540	1.3
145.10114	5.8
146.06116	1.1
146.07297	2.9
147.04465	2.3
147.08051	4.9
149.05974	1.4
151.02943	1.4
151.07530	11.6
151.11192	1.5
157.10176	2.0
159.08107	1.6
161.09628	80.8
163.11189	14.7
165.09180	1.9
171.08044	5.3
173.08191	2.6
173.09610	1.7
179.10669	10.8
188.11983	1.9
189.09122	29.1
204.11501	1.7
205.08620	1.8
206.09406	1.8
207.10136	9.2
212.07327	7.3
217.12225	1.7
220.11020	1.3
221.11728	2.2
225.11240	4.5
235.13382	3.4
241.50897	1.0
241.79272	1.2
245.15335	1.5
253.14394	11.2
263.12805	13.0
263.16544	1.7
279.18802	1.1
281.13876	44.3
281.18512	2.3
282.15289	22.3
283.03119	1.7
299.06177	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	280.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26960	0.3
55.01863	0.3
55.05489	1.3
57.03396	0.3
57.07067	0.5
58.16676	0.3
58.99577	0.6
70.06589	0.8
70.92099	0.7
70.92455	0.4
79.05495	0.5
81.07043	0.4
83.53832	0.2
84.08126	0.4
85.01126	0.5
87.02688	4.2
91.05477	0.3
94.04062	0.3
98.20874	0.3
105.06999	0.8
106.06508	0.5
107.07305	0.3
108.04465	1.1
117.05766	0.4
118.06514	1.8
119.03411	0.3
119.07295	1.0
120.08101	7.3
121.08889	7.9
122.09672	4.3
130.06543	0.8
132.08083	3.4
133.08862	1.2
134.02728	0.5
134.09622	2.6
143.14151	0.3
145.08891	2.9
146.09648	19.8
147.10416	3.4
148.06183	8.6
148.11205	16.2
149.02322	2.7
149.11983	0.3
150.02687	2.9
158.09703	0.4
159.04826	0.4
159.10487	0.7
160.11205	2.1
161.11971	1.0
164.05305	0.7
172.11220	0.5
174.09114	0.7
174.12785	4.5
176.14345	10.1
190.08649	0.7
192.10173	2.2
208.11549	14.2
210.05844	2.6
216.24553	0.3
229.88458	0.3
234.15028	0.6
236.14661	14.1
269.82394	0.3
280.13651	100.0
281.13931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1292
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
51.30491	1.6
55.05518	9.2
55.53910	1.6
56.05029	4.6
57.07054	5.5
57.09911	1.5
58.07394	2.5
59.22197	1.6
60.04514	3.3
64.80489	1.5
67.05476	2.4
68.05022	2.6
68.99752	2.0
70.02959	14.3
70.06606	13.1
71.57607	2.3
72.08156	35.4
79.05478	4.1
84.04501	4.2
84.07686	2.5
84.08148	27.6
86.06044	2.5
86.09714	11.6
87.02696	2.2
87.05593	48.6
88.03993	3.0
91.05480	94.7
93.07029	2.5
97.06550	2.0
98.02426	3.5
98.97584	2.3
103.05467	27.3
107.04970	10.3
116.07081	5.4
116.98641	2.8
117.03718	3.1
117.06998	2.6
118.04148	4.5
119.04946	6.4
120.08103	78.9
123.07943	6.5
129.06976	6.8
129.10228	20.7
129.16441	1.6
130.06535	15.0
131.04945	15.0
132.07997	2.2
136.07538	4.1
140.84035	1.8
141.09067	2.1
144.08080	5.2
145.06415	3.2
146.03624	2.7
146.05934	2.6
147.04419	14.3
147.09146	4.2
149.02336	28.5
149.05943	3.5
150.02675	31.7
154.06497	4.4
155.08128	1.8
157.06464	11.6
164.04367	2.6
166.07294	2.1
166.08624	28.7
172.07588	20.6
175.08667	65.8
182.06024	25.9
193.04312	4.5
200.07069	100.0
203.08215	3.7
217.09744	7.9
218.15146	3.1
221.04901	2.5
221.09229	49.2
228.06573	5.8
234.12442	10.6
235.10728	1.8
236.12877	4.5
240.13390	2.8
245.09251	13.5
246.07614	74.5
262.11896	2.5
263.05310	2.4
263.10263	24.9
280.07144	1.8
280.12744	3.7
280.15707	5.0
281.10690	2.5
299.06131	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	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.05781	0.6
53.03959	1.5
55.05513	8.8
57.07072	3.3
58.18107	0.6
62.10036	0.6
65.03934	2.6
65.39014	0.6
67.05506	100.0
69.07069	8.2
69.27151	2.7
69.27584	3.3
71.04996	0.9
72.79973	0.6
79.05491	10.5
81.07059	99.9
83.00105	0.7
83.04993	1.4
83.08610	3.8
85.06545	0.9
89.07346	0.6
91.05495	2.7
93.07046	10.0
95.08609	71.9
97.06561	1.2
97.10179	2.1
98.20772	1.4
105.07048	2.6
107.08603	6.4
109.06504	1.2
109.10161	42.3
111.11717	0.8
119.08572	3.4
121.02929	0.7
121.10147	5.2
123.08052	1.4
123.11711	29.4
127.07526	0.8
131.08595	2.8
133.10150	3.2
135.11676	4.5
137.09654	1.3
137.13258	10.2
145.10146	1.4
147.11702	1.9
149.02339	10.6
149.09674	0.9
149.13248	2.0
151.14822	2.1
159.11749	2.0
161.13268	2.6
163.14841	1.9
167.10751	0.9
173.13350	2.2
177.12692	1.7
177.16325	0.8
187.14838	2.8
191.14377	1.0
195.13773	1.5
205.15990	0.9
209.15335	2.4
223.16992	2.7
233.22313	0.7
237.18524	1.9
243.21103	2.0
261.22125	3.2
279.09436	1.8
279.23193	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	279.2316
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03942	1.8
55.01860	1.1
55.05516	10.8
57.03429	1.5
57.07077	13.3
65.03938	3.1
67.05506	89.5
68.05833	1.2
69.03424	1.5
69.07072	13.4
69.29906	6.1
71.04994	1.1
71.08631	0.8
79.05491	17.9
81.07057	100.0
82.07389	1.0
83.04977	1.0
83.08617	7.1
85.06538	1.6
91.05483	7.1
93.07039	16.9
95.04967	2.8
95.08609	88.1
97.06535	2.4
97.10169	4.2
98.21120	3.4
102.66222	0.8
105.07024	6.3
107.04951	1.0
107.08596	9.2
108.08970	0.7
109.06520	2.6
109.10155	46.0
111.08091	1.4
111.11720	1.1
117.07017	2.6
119.08568	4.4
121.02898	2.9
121.06525	1.4
121.10137	9.8
123.08047	2.0
123.11706	23.3
127.07621	0.9
131.08577	6.1
133.10139	4.2
135.08049	2.5
135.11699	5.7
137.09636	1.6
137.13257	8.3
145.10129	4.8
147.11731	3.3
149.02345	72.7
149.09625	2.6
149.13225	3.7
150.02621	0.8
150.49373	0.8
151.11214	1.5
151.14796	3.3
153.09105	0.7
153.12805	0.8
159.11687	4.3
161.13264	2.9
163.11183	2.2
163.14827	2.8
165.12804	1.2
165.24248	0.8
167.03368	1.5
167.10635	1.0
173.13284	3.8
177.12753	1.9
177.16321	1.1
179.14305	1.0
181.10156	1.1
181.12271	2.3
187.14842	3.8
191.14323	1.1
195.11646	0.9
195.13823	1.9
201.16405	1.3
205.15898	1.6
209.13353	0.8
209.15450	2.5
219.05733	2.1
219.21004	1.1
223.16974	2.6
237.18552	1.2
243.21100	6.7
261.22122	7.5
279.09378	3.6
279.19879	3.3
279.23212	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	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03946	1.3
55.01882	0.6
55.05510	9.9
57.03440	0.7
57.07082	5.6
65.03943	3.2
67.05505	98.1
68.05849	0.7
69.06719	0.8
69.07072	11.3
69.95976	1.6
69.96382	1.2
71.04994	1.3
74.15803	0.4
79.05052	0.8
79.05492	13.5
81.07059	100.0
83.04984	1.1
83.08624	6.2
83.11116	0.5
85.06546	2.1
91.05471	4.3
93.07042	13.8
95.04973	0.7
95.08608	84.3
95.92743	0.5
97.06525	1.6
97.10154	2.7
98.21354	0.9
99.04456	0.5
99.08121	0.6
105.07028	3.8
107.08600	8.7
109.06522	0.8
109.10159	48.1
111.08073	0.7
111.11704	0.8
117.06998	1.6
119.08589	3.9
121.02867	1.1
121.10146	8.0
123.08084	2.2
123.11713	26.7
125.09637	0.7
127.07515	0.7
131.08574	4.6
133.10149	3.6
135.08043	0.7
135.11676	5.5
137.09592	0.9
137.13254	9.7
145.10129	3.5
147.11690	3.0
149.02350	28.8
149.09601	1.9
149.13254	4.2
151.11185	1.1
151.14838	2.7
157.06871	0.5
159.11667	2.1
161.13264	2.0
163.11153	1.6
163.14816	2.3
165.12717	1.1
165.16438	1.0
167.10645	1.0
173.13246	3.1
175.14737	0.5
177.12747	1.5
177.16406	1.2
179.14331	0.9
181.12279	1.6
187.14786	3.0
191.14276	1.5
195.13826	2.4
201.16418	0.7
202.64650	0.6
205.15852	1.2
209.15359	2.8
219.05717	1.3
219.21046	1.4
223.16919	2.9
237.18398	1.4
243.21062	2.7
259.64981	0.5
261.22141	5.5
279.09250	1.5
279.19757	2.7
279.23184	43.3
280.23468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.3
56.05029	0.5
57.05812	0.4
57.07076	3.5
61.64771	0.3
65.42854	0.2
66.80552	0.3
67.05515	0.6
67.69128	0.3
68.62098	0.3
69.07071	11.7
70.06598	1.4
71.57887	0.4
72.08171	0.8
79.05483	0.6
81.07053	0.6
84.04498	0.8
84.08144	1.7
86.09708	100.0
87.10046	0.7
91.05463	0.8
93.07051	0.6
95.05003	0.4
95.08603	0.4
97.06495	0.3
103.05465	0.9
105.07017	0.5
107.04955	0.4
117.07071	0.3
118.06596	0.4
118.81161	0.3
119.04953	0.4
120.08109	17.4
121.02879	1.4
121.03876	0.2
129.10275	1.6
130.06544	1.2
132.08163	0.4
132.10344	0.3
135.04379	0.3
136.07549	0.5
146.05991	0.6
147.04408	0.9
147.05656	0.3
149.02347	25.9
159.09233	0.8
163.03879	1.6
166.08652	5.9
170.06006	0.4
188.07147	0.9
205.06517	1.5
205.08359	0.3
214.98126	0.3
219.08032	0.4
223.07663	0.5
233.06012	0.7
233.16554	0.5
234.98927	0.4
240.13521	0.5
251.10725	0.6
270.67899	0.3
279.06589	2.1
279.09958	0.6
279.16965	3.0
280.14456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1703
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
51.89434	0.6
57.07071	3.1
58.67359	0.6
62.22737	0.6
70.33672	2.0
76.89462	0.6
86.09708	100.0
87.10047	0.6
93.07039	0.9
95.04980	0.9
98.21288	1.1
103.05472	3.1
115.31116	0.6
120.08110	58.5
132.10237	0.9
149.02350	16.8
149.03488	1.2
149.07458	1.0
149.09657	0.7
166.08641	9.3
233.16574	0.7
237.80057	0.7
275.38144	0.6
278.30435	0.6
279.17133	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03938	0.3
55.05518	0.5
56.05028	0.5
57.07080	3.9
58.06613	0.5
65.03938	0.7
67.05501	0.8
69.07075	12.4
69.76532	1.9
70.06585	1.4
72.08156	0.9
81.07059	0.4
84.04483	0.8
84.08163	1.9
86.09712	100.0
87.10037	0.6
91.05460	0.6
93.07057	0.7
95.04993	0.5
95.08598	0.6
98.20937	0.9
103.05479	0.8
105.07040	0.5
107.04956	0.8
117.65735	0.3
119.04930	0.4
120.08115	18.8
120.72745	0.4
121.02881	1.9
121.03887	0.4
122.78606	0.3
129.10258	1.2
130.06540	0.9
146.05998	0.9
147.04475	0.5
149.02354	29.3
159.09218	0.7
163.03954	1.6
166.08640	4.9
170.06027	0.5
188.07043	0.5
203.39786	0.4
205.06520	0.9
209.15959	0.4
219.08084	0.6
221.11981	0.4
233.05925	0.7
233.16621	0.4
251.10599	0.7
279.06577	1.7
279.09964	0.9
279.17065	2.3
295.27609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05510	37.4
57.07080	5.7
58.99586	18.4
61.01136	1.6
67.05495	1.4
69.07076	0.8
69.64365	5.5
70.06596	4.0
71.04987	1.5
72.08164	1.3
73.01141	1.7
74.06065	0.7
76.02229	5.8
76.03987	4.3
79.05501	1.8
81.07059	2.0
82.03911	0.7
83.08616	34.5
84.04507	0.9
84.08137	3.4
85.01102	1.1
85.22288	0.7
86.09702	1.4
86.99051	13.4
87.02651	1.0
87.04440	1.0
88.02217	3.4
95.08583	0.8
98.20973	2.4
98.53073	0.7
99.02697	0.7
101.09623	1.7
107.04956	2.1
112.11208	0.9
116.01675	60.2
116.89874	0.7
119.04920	0.9
120.08124	1.6
121.02856	2.9
128.84697	0.8
129.07349	0.8
129.10274	1.5
130.05011	0.8
135.04362	1.9
136.07539	1.0
144.01138	30.8
145.02901	1.1
147.04399	1.4
149.02341	58.9
159.08398	8.9
162.02199	100.0
163.03883	10.6
166.07350	1.0
167.03348	0.7
167.08508	1.2
168.52893	0.8
176.06232	1.8
177.07028	3.8
181.06514	1.5
195.08046	3.1
205.04596	1.2
205.06505	22.1
206.07153	0.9
223.07558	7.5
232.56306	0.8
233.06007	12.8
234.06665	1.6
235.07462	0.9
242.04021	0.8
244.09969	1.9
249.94159	0.7
251.07040	5.5
255.06523	1.4
261.05365	3.7
262.11090	22.2
262.13913	1.1
269.08194	1.0
279.06500	41.1
279.13312	3.0
279.17825	1.9
292.18805	0.8
304.53445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.7
56.96571	1.6
57.07079	5.3
58.99584	0.9
60.04520	2.2
65.03962	1.0
68.05035	2.0
69.03436	0.6
69.60326	3.1
70.06597	43.6
72.08139	1.3
74.00671	25.1
74.06077	0.7
78.96790	1.3
79.05505	1.0
80.47770	0.5
81.07063	0.7
83.06108	1.1
84.04507	4.5
84.08138	1.6
85.01128	3.6
86.09729	0.7
87.02702	1.7
88.03975	0.6
88.93892	0.5
91.05489	26.2
93.19485	0.5
98.97585	8.7
101.01721	3.7
107.04947	1.1
109.07664	1.1
109.93102	0.4
110.97588	1.3
113.01728	4.3
114.05527	4.4
116.07098	88.5
116.98619	5.1
117.99086	3.9
118.06567	1.4
119.04951	19.6
120.06562	1.8
121.02881	1.4
121.06501	1.7
122.00958	17.4
128.98621	2.4
129.10251	0.9
130.05003	0.9
133.01424	5.4
134.99651	2.1
135.04457	0.6
136.07584	100.0
146.99698	1.0
147.02249	6.1
147.04417	4.4
149.02351	41.3
155.08139	2.4
158.99629	3.0
159.02252	3.8
163.03897	3.2
170.99689	0.7
177.00673	5.8
185.02042	11.9
189.00735	2.0
195.01889	0.7
200.07883	0.7
203.71924	0.6
204.23160	0.5
207.01730	1.4
219.01595	0.7
220.09734	0.6
222.41805	0.6
231.02565	14.2
231.04404	0.8
234.11224	0.7
249.50029	0.5
262.10876	2.6
273.02933	0.9
279.02463	0.7
279.04803	1.5
279.13400	13.3
280.48022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34023	0.4
55.05504	2.7
57.07077	3.6
58.99587	0.9
63.03791	0.4
67.05508	0.5
70.06590	3.4
71.06911	0.5
71.57922	0.4
72.08155	3.9
76.04006	0.4
79.05472	1.9
81.07056	1.0
83.08601	1.4
84.08128	2.0
86.09676	1.2
86.99070	0.6
89.03919	6.9
91.05459	0.4
93.07037	0.4
93.96817	0.4
98.20883	0.4
107.04943	3.1
115.92802	0.4
116.01650	2.7
116.07078	0.7
117.03372	9.7
121.02864	1.1
129.10254	0.7
135.04417	20.0
143.04672	0.4
144.01126	1.2
145.02849	12.2
145.03987	0.9
147.04463	0.6
149.02341	28.9
159.08339	0.4
162.02206	6.0
163.03905	100.0
164.04294	1.2
167.03392	0.7
177.07028	1.0
191.08585	0.5
195.08044	1.1
205.06516	6.0
205.08409	0.9
223.07703	2.2
229.15518	0.6
233.05991	3.4
247.07520	0.8
251.06955	1.7
251.10770	0.4
261.05426	0.8
262.11169	0.8
279.06534	12.2
279.09720	0.7
279.13043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03934	4.6
53.94958	0.9
55.01866	1.5
55.05516	15.4
57.07066	2.6
65.03944	1.8
67.05177	1.9
67.05505	30.4
69.07064	12.9
69.24651	11.2
71.04973	1.8
77.03936	1.3
79.05495	74.6
81.06580	1.7
81.07059	34.8
83.04977	2.1
83.08610	9.0
85.06546	1.9
91.05481	25.5
93.07047	100.0
95.04989	6.8
95.08048	1.6
95.08611	23.7
97.06516	1.9
97.10176	4.2
98.21114	5.6
105.04517	1.6
105.07030	13.9
107.08595	47.6
107.28785	1.1
109.06507	2.5
109.10162	12.2
111.08089	1.3
117.07030	2.9
119.08581	10.0
121.10148	42.0
123.08096	2.0
123.11699	3.1
129.06990	1.9
131.08530	3.9
133.10147	10.4
135.08055	1.1
135.11694	44.1
137.09583	1.5
143.08563	3.2
145.10092	2.7
147.11694	6.7
149.09608	1.9
149.13260	21.3
157.10170	2.1
159.11696	3.2
161.09662	1.5
161.13228	5.1
163.11200	1.3
163.14804	5.7
171.11652	2.3
173.13329	1.7
175.11115	1.3
175.14842	1.8
177.16426	1.3
181.12256	2.1
185.13310	2.1
193.12123	1.1
199.14833	1.2
203.51172	1.0
207.13708	2.8
213.16394	1.6
221.15427	2.4
234.73920	1.0
235.16943	3.0
241.19670	1.3
259.20612	3.2
277.21631	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
52.51374	1.0
53.03939	4.1
54.99865	1.1
55.01869	1.7
55.05257	1.4
55.05511	17.2
57.07062	3.9
59.72702	1.2
61.73822	1.0
67.05505	33.5
69.07063	15.3
69.98671	1.0
70.05567	3.9
70.05971	2.6
71.08623	1.4
79.05493	78.4
81.07059	33.5
83.04974	2.5
83.08614	7.4
85.06522	1.9
89.00531	1.3
89.47046	1.0
91.05485	26.2
93.07047	100.0
95.04975	5.7
95.08057	1.4
95.08613	22.4
97.06516	2.3
97.10152	4.4
98.21507	1.2
103.16061	1.2
105.07009	9.7
107.07852	2.4
107.08590	47.3
109.06507	2.1
109.10157	13.9
117.07015	2.7
119.08578	9.4
121.10147	41.3
123.11691	3.1
131.08583	3.4
133.10129	10.8
135.08051	1.9
135.11696	56.0
137.13319	1.3
145.10121	3.7
147.11700	7.3
149.13254	25.5
157.10136	1.7
159.11682	2.5
161.13269	3.1
161.20903	1.3
163.11209	2.1
163.14832	6.0
171.11681	1.5
173.13245	1.5
175.11174	1.6
177.16362	1.3
189.12752	1.3
193.12209	1.6
195.13797	2.4
199.14761	1.1
203.14311	1.7
207.13881	2.7
211.38837	1.4
213.16273	1.9
221.15341	2.2
231.17505	1.3
235.16949	4.2
259.20517	2.8
277.21619	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	277.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05514	12.3
55.05784	0.8
57.07081	1.9
65.03938	1.0
66.06705	0.3
67.05491	0.3
69.07058	0.6
71.31126	0.4
71.31464	0.5
77.13586	0.3
79.05481	0.5
81.07066	0.5
82.44927	0.3
91.05498	0.7
93.03360	0.4
93.07070	0.3
95.08620	0.5
96.59890	0.3
97.06539	0.5
98.21131	0.4
101.04240	0.5
105.07027	0.6
107.08595	0.5
119.08559	0.6
121.02893	3.8
121.03861	0.5
149.02347	100.0
150.02626	0.4
167.03418	1.4
198.71652	0.3
201.16237	0.3
203.07016	1.8
205.08650	1.1
259.09760	0.4
277.14410	2.9
277.18066	0.8
277.21063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03933	3.1
55.01863	6.4
55.05260	1.4
55.05513	21.7
57.03434	1.7
57.07067	4.6
63.77082	0.9
65.03944	1.5
67.05505	41.7
69.03432	1.3
69.06719	1.4
69.07074	24.8
70.30991	2.1
70.31386	1.7
71.04985	4.2
71.08627	1.1
73.06546	1.3
79.05496	59.7
80.47508	0.9
80.48109	0.8
81.03406	2.4
81.07060	42.9
83.04992	4.5
83.08625	16.0
85.02877	1.0
85.06543	2.8
91.05482	33.6
93.07048	85.4
95.04975	7.2
95.08610	36.8
97.06536	7.2
97.10161	4.4
98.21310	1.9
99.08088	1.0
102.11251	0.9
105.04520	2.0
105.07028	18.9
107.08598	46.9
109.06509	4.7
109.10165	16.2
111.08090	3.3
117.07011	3.5
119.08591	17.1
121.06556	1.1
121.10151	41.4
123.08047	2.9
123.11725	4.6
125.09636	2.7
129.07018	1.8
131.08569	6.3
133.10150	15.4
135.11699	40.3
137.09608	2.1
139.11223	1.2
143.08569	3.0
145.10144	6.2
147.11685	12.8
149.09616	2.4
149.12164	1.7
149.13260	20.2
151.11185	2.6
157.10141	2.8
159.11758	4.8
161.09621	1.5
161.13275	5.2
163.11209	2.9
163.14807	4.0
165.12762	3.9
167.10670	1.0
171.11716	3.1
173.13278	2.5
175.11194	1.1
175.14853	2.7
179.10692	1.6
179.14363	1.5
181.12320	1.4
185.13286	2.6
187.14789	1.3
189.12813	2.4
195.13899	2.0
199.14821	1.6
207.13829	2.8
213.16403	1.5
221.15279	2.4
231.21075	2.4
235.17004	5.6
241.19525	3.5
249.22060	1.0
259.20578	8.7
277.21622	100.0
277.27988	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	277.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
54.67135	0.4
55.05514	14.9
57.07066	1.3
61.90874	0.4
65.03922	0.9
67.05493	0.5
69.07053	0.6
69.76290	0.8
69.76683	1.1
70.06588	2.6
71.08594	0.5
71.26772	0.4
72.08152	1.9
79.05483	0.9
81.07064	0.9
91.05459	0.7
91.76623	0.4
93.03384	0.4
93.07053	1.3
95.08637	0.6
97.06527	1.5
98.21296	1.0
101.04238	1.4
105.07056	0.5
107.08612	0.7
109.06560	0.5
118.08637	0.9
121.02860	3.8
121.03769	0.4
132.02812	0.6
135.04369	0.4
149.02347	100.0
149.13277	0.5
150.02692	0.6
154.36539	0.3
163.03954	1.5
167.03439	1.2
190.04999	0.6
197.67200	0.4
203.07063	2.1
205.08661	1.5
215.07091	0.6
259.09766	1.0
277.14374	2.3
277.17960	1.1
277.21609	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.032
Annotation	selenoneine
Peak:m/z	Relative Intensity
70.10262	80.8
78.98190	17.5
95.43562	16.2
98.21165	52.6
128.53142	21.8
130.45090	19.4
155.63341	18.2
159.62312	17.6
160.21530	18.5
166.35431	22.6
173.36887	19.9
179.99084	20.4
220.02055	20.0
277.03256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72154	0.8
70.72500	0.3
73.63184	0.3
73.98367	0.4
91.41698	0.3
95.10334	0.3
95.70730	0.3
98.21139	0.5
104.97618	0.3
115.03662	0.3
119.01885	0.6
126.45528	0.3
129.38434	0.3
130.49521	0.3
145.03481	0.4
175.04514	0.3
176.00816	0.7
191.98270	0.7
198.07047	0.3
217.01855	0.4
277.08939	100.0
278.09326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47392	1.4
56.96574	8.7
56.96793	1.7
64.73272	1.5
69.60768	1.3
69.66943	9.6
71.95255	3.2
89.68410	1.4
91.26601	1.3
98.97589	100.0
101.00884	2.3
116.98631	59.0
119.01950	8.0
126.05642	1.4
131.01814	2.0
134.98651	1.9
134.99663	22.7
142.00655	1.3
143.01823	1.7
156.52725	1.7
157.03450	1.9
161.02977	3.7
163.03918	5.3
173.02956	2.5
177.00960	6.2
185.02878	1.6
187.04558	2.1
210.95869	2.8
219.02136	1.3
223.85553	1.3
234.95880	2.2
235.16910	2.3
240.98769	5.1
252.97136	3.2
258.99762	59.4
267.95819	2.8
272.01205	1.7
276.97244	8.5
277.00827	84.3
277.07620	6.0
277.17941	1.9
294.98126	5.0
295.08936	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	276.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08586	0.3
53.03946	2.1
55.05515	50.1
58.99592	3.8
61.01157	8.2
64.17525	0.4
67.05511	4.8
69.07077	0.7
70.06576	0.4
71.39025	0.4
72.08150	0.4
73.01142	0.6
79.05509	0.6
81.07069	0.5
84.04548	0.5
85.01140	1.2
86.01913	1.1
91.05456	0.5
93.07077	0.6
99.02644	0.6
101.04248	100.0
102.04581	0.5
105.07062	0.9
106.07425	0.5
111.95399	0.4
112.02209	0.9
119.08610	0.6
124.18720	0.4
130.03259	1.2
130.06555	0.8
131.06879	0.8
133.10172	0.5
163.03993	0.5
176.14378	0.5
180.89012	0.4
215.25264	0.4
228.10616	0.5
259.09680	0.7
276.17819	66.1
277.18259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.08
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
55.05498	1.9
56.96561	1.2
58.99565	2.6
66.22771	1.1
67.05499	1.6
70.06586	6.8
71.57671	1.3
71.58050	1.2
72.08148	5.4
74.00632	1.5
76.02212	1.3
81.07042	1.2
84.04488	3.8
84.08122	7.9
86.09702	5.7
88.04000	2.7
88.25919	1.1
91.05483	1.3
96.08060	1.4
97.75155	1.1
100.02212	2.0
101.01727	58.5
103.05456	2.3
110.06037	2.7
110.07185	1.5
112.60880	1.3
114.49193	1.1
120.08128	11.0
121.06645	1.1
128.01659	2.0
128.07120	1.9
129.10262	3.7
130.06528	72.6
142.66632	1.1
143.04005	2.7
144.04453	1.3
144.08115	1.1
145.07614	2.8
146.06010	1.6
147.02232	100.0
148.02490	1.9
158.06355	27.8
162.03690	1.6
176.01974	8.5
178.01602	1.3
197.09497	1.2
259.05334	1.9
276.08124	6.6
276.16534	2.1
276.19345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2734
Annotation	Kaurane
Peak:m/z	Relative Intensity
52.26880	0.8
53.03939	1.3
55.05513	15.8
57.07077	9.8
65.03935	1.5
67.05508	31.5
69.07073	30.2
70.06582	1.1
71.08617	3.9
72.76514	0.8
77.37270	0.8
79.05499	14.4
81.07060	100.0
83.08624	13.4
85.10197	1.7
88.07654	1.0
91.05507	5.6
93.07054	16.4
95.08611	83.6
97.10174	8.7
98.20704	1.6
98.21404	4.2
105.07021	7.0
107.08599	20.0
109.06506	1.0
109.10162	49.4
111.11706	5.8
117.07039	1.5
119.08595	4.5
121.10155	11.3
123.11709	24.8
125.13271	1.3
131.08560	2.6
133.10139	2.5
135.08054	1.5
135.11694	10.5
137.13252	10.6
141.07166	0.9
145.10146	2.0
147.11687	2.5
149.13263	11.5
151.14815	5.2
157.10104	1.0
159.11719	1.7
163.14856	5.7
165.16444	2.2
171.96939	0.8
177.16386	2.2
179.18036	1.2
191.17877	1.3
205.19560	1.2
219.21017	1.8
233.07845	0.9
275.04831	2.3
275.18173	1.2
275.20123	9.2
275.24118	1.8
275.27393	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.23040	1.1
53.03929	2.5
55.01868	1.3
55.05513	14.4
57.02443	0.7
57.03423	1.1
57.07074	2.2
59.40664	1.0
65.03952	1.0
67.05170	1.5
67.05506	22.1
69.07069	10.0
70.01099	3.3
71.04990	1.9
79.05058	1.6
79.05499	25.4
81.07061	18.4
83.04974	1.4
83.08626	5.0
85.06543	1.3
87.08145	0.9
91.05485	41.9
93.07051	18.8
95.04963	3.3
95.08611	10.9
97.06532	0.9
97.10153	1.5
103.05470	2.0
104.78762	0.9
105.07034	59.5
107.04958	5.3
107.08595	11.0
109.06531	1.4
109.10162	6.6
113.05997	0.9
115.05453	1.7
117.07025	12.2
118.07838	0.9
119.08585	36.6
121.06493	1.5
121.10146	8.4
123.08099	2.2
123.11718	1.0
129.07001	3.3
131.08577	16.1
133.06480	1.2
133.10133	35.3
135.08069	2.4
135.11696	2.4
136.72310	0.8
137.09598	2.0
141.06967	1.5
141.75928	0.8
143.08513	1.7
145.10120	9.6
147.08055	1.4
147.11694	22.7
149.09653	7.5
149.13303	0.9
151.11172	0.9
155.08511	1.0
157.10135	2.0
159.11703	10.6
161.09583	1.0
161.13286	6.5
163.11172	1.2
169.10097	1.7
171.11670	2.5
173.13231	8.2
183.11707	1.5
187.11238	1.5
187.14914	1.4
189.12843	1.3
197.13240	1.8
215.14117	0.9
229.16002	0.9
229.19516	1.8
233.15196	2.4
239.18045	2.1
247.20532	2.6
257.18997	6.5
275.20068	100.0
275.27917	2.7
276.20401	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.04929	0.9
53.03928	1.9
55.01871	4.1
55.05511	13.3
57.03424	1.8
57.07055	1.1
67.05167	1.5
67.05504	19.3
67.38116	0.8
69.03399	1.1
69.07066	10.8
69.86238	3.9
69.86638	1.5
71.04968	2.3
77.03892	1.1
79.05054	1.6
79.05490	22.0
81.03392	1.0
81.07058	21.3
81.58981	0.8
83.04973	2.3
83.08609	4.4
85.06535	1.0
91.05478	39.4
93.07039	20.6
95.04990	4.5
95.08043	1.3
95.08606	14.6
97.06551	4.2
97.10164	2.5
98.20890	2.3
98.21471	1.5
103.05481	1.4
105.07030	52.2
107.04947	5.8
107.08593	17.2
109.06496	4.2
109.10171	6.9
111.08070	1.4
115.05468	1.1
117.07032	8.9
119.08582	31.8
121.06494	4.2
121.10150	7.6
123.08047	3.4
123.11691	1.6
125.09593	1.1
129.07076	2.0
131.08572	15.4
133.10127	35.9
135.08070	4.6
135.11690	3.8
137.09639	3.0
141.06947	1.5
143.08551	2.5
144.09398	1.2
145.10129	11.8
147.08054	1.6
147.11678	19.6
149.09641	4.4
149.13242	1.0
151.11163	3.0
155.08545	2.3
157.10123	1.7
159.11705	7.4
161.09634	2.0
161.13268	4.3
163.11186	5.7
165.09105	1.0
165.12750	2.8
169.10158	2.9
171.11720	2.7
173.13234	5.2
175.11194	1.7
177.12718	2.5
181.12309	0.8
183.11674	2.2
187.11250	1.2
187.14825	1.9
189.12825	1.3
197.13286	2.6
201.12727	1.6
213.16519	1.2
213.80334	0.9
215.14214	1.1
215.17921	1.6
229.19585	3.5
239.17920	6.9
247.20576	2.7
253.13132	0.8
257.18991	10.8
275.20050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.24790	2.5
55.01867	5.1
55.05515	16.9
57.07090	3.0
57.24719	1.8
62.58386	1.9
67.05510	22.9
69.07088	10.4
70.06564	3.3
71.05009	3.4
71.57962	2.0
79.05495	27.7
81.07060	27.5
83.08623	6.2
86.92039	1.9
88.07622	2.4
91.05490	43.4
91.06064	2.6
93.07061	23.5
95.04993	3.5
95.08599	14.1
97.06535	5.9
97.10172	3.4
105.07033	58.6
107.04955	16.1
107.08586	21.3
109.06537	3.1
109.10137	10.3
117.07014	10.8
119.08585	31.3
121.06519	3.9
121.10136	9.0
123.08067	1.8
123.11730	2.7
125.09626	2.7
129.06944	2.1
131.08565	16.1
133.10132	42.1
135.08054	2.7
135.11710	5.8
145.10121	16.6
146.36124	2.1
146.51796	2.3
147.08003	2.7
147.11693	19.3
149.09618	20.8
157.10184	2.4
159.11690	9.5
161.13274	6.5
163.11244	4.5
171.11678	2.9
173.13252	6.1
183.11772	3.1
191.14438	3.0
207.35866	2.1
215.14589	2.1
228.31694	2.2
229.19569	4.0
239.17924	2.9
257.19034	11.3
275.04816	2.6
275.20096	100.0
275.27814	19.8
283.99689	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	275.2007
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
53.27908	0.7
53.44126	0.9
55.05499	3.7
57.07069	1.1
61.00637	0.9
67.05486	3.3
67.05830	0.7
69.03421	1.2
69.06720	1.1
69.07067	14.3
69.58170	5.9
71.04978	3.7
79.05475	4.3
81.07052	6.6
83.04976	1.4
83.08584	1.3
83.70146	0.7
84.39010	0.8
85.06529	2.3
85.90972	0.9
90.65929	0.8
91.05473	5.7
93.07034	9.7
95.04950	2.7
95.08604	7.6
97.06550	1.3
98.20798	1.1
98.21343	1.7
99.08064	1.1
105.07031	8.6
107.04951	1.4
107.08594	7.7
109.06543	4.5
109.10175	5.1
111.08081	19.7
111.11671	1.1
113.09655	5.0
115.05405	1.5
117.06996	2.9
119.08589	8.8
121.06470	4.1
121.10144	7.9
122.07284	5.0
123.08074	14.6
123.11710	1.6
129.06990	0.9
131.08578	12.9
133.10141	5.4
135.08063	22.0
135.11670	3.1
137.09628	1.6
139.11162	1.7
142.07779	1.3
143.08559	2.1
143.36185	0.8
145.10139	7.4
147.08093	1.0
147.11693	9.0
148.08789	1.2
149.09567	4.0
149.13278	1.6
155.08601	1.0
156.09341	2.0
157.10129	3.9
158.10858	1.2
159.08075	1.1
159.11714	8.8
161.09616	2.7
161.13278	1.0
163.11188	2.7
165.12772	2.1
171.11693	16.0
173.13283	4.4
175.14864	2.4
176.11993	5.2
177.12778	1.7
181.12230	14.2
183.11591	1.4
187.11148	0.9
187.14806	1.3
189.12778	3.6
191.14311	100.0
197.13245	1.3
199.14839	5.4
201.12854	1.9
203.45065	0.7
203.47267	0.8
213.16251	1.2
215.17966	3.9
217.15901	6.9
239.18008	2.9
257.18985	7.7
269.95441	0.8
275.20062	45.6
275.27853	2.3
279.30402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03938	3.0
55.01867	4.6
55.05263	1.3
55.05513	25.8
57.03436	2.3
57.07055	1.1
59.04993	1.7
61.38188	1.0
62.31294	1.0
65.03938	1.4
66.49957	1.0
67.05507	34.3
67.98426	1.0
69.03411	1.6
69.07063	8.8
69.99935	5.4
71.04985	1.9
72.66040	0.9
79.05495	45.0
80.93833	1.0
81.07060	23.5
83.04980	3.1
83.08618	7.0
85.06551	1.3
91.05484	37.1
93.07049	26.5
95.04966	3.5
95.08609	10.4
97.06517	3.1
97.10162	4.2
98.21516	1.1
103.05470	1.6
105.07037	52.1
107.04967	27.6
107.05699	1.4
107.08597	30.2
109.06508	2.6
109.10167	18.9
111.08044	2.4
115.05483	1.7
117.07026	13.5
119.08583	34.1
121.06528	2.9
121.10162	11.0
123.08076	1.3
123.11700	4.8
125.09612	5.3
129.07050	2.1
131.08572	14.2
133.10139	28.0
135.08052	6.1
135.11679	3.3
137.09642	1.5
143.08519	2.0
145.10136	13.4
147.08025	1.4
147.11688	20.7
149.09625	50.6
149.13277	1.3
153.09099	2.5
155.10681	1.3
157.10109	2.0
159.11714	9.7
161.13242	7.5
163.11264	2.0
166.77545	1.0
167.10822	1.5
169.10118	1.4
169.12206	2.4
171.11728	3.6
173.11723	3.0
173.13278	4.8
175.11206	1.1
183.11760	1.8
187.11185	3.1
187.13348	2.5
187.14911	1.4
197.13252	2.7
201.12871	1.2
215.14299	1.5
215.17897	3.3
229.19556	8.4
233.15387	2.1
239.17943	3.7
240.92619	1.3
247.20566	3.5
257.19025	17.7
275.20074	100.0
276.20532	1.6
297.51688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.98228	0.8
53.03938	1.6
55.01863	2.0
55.05517	13.0
56.67525	0.8
56.83712	0.9
57.03418	3.6
57.07064	1.6
59.43831	0.8
65.03925	1.6
67.05511	22.6
69.07066	8.9
69.40023	0.8
70.06573	0.9
70.75301	2.0
71.04996	1.2
79.05059	1.3
79.05498	22.5
81.03393	0.9
81.07061	25.6
83.04968	3.0
83.08619	4.7
91.05486	39.9
93.07049	21.1
95.04962	4.0
95.08611	14.5
97.06541	2.1
97.10163	1.9
99.08107	1.4
103.05460	1.2
103.11207	0.9
105.07037	55.3
107.04974	5.2
107.08591	18.9
109.06526	7.6
109.10146	6.5
111.08054	1.7
115.05414	1.3
115.92490	1.0
117.07031	8.0
119.08585	34.7
121.06501	3.4
121.10157	8.0
123.08063	6.0
129.06966	2.5
131.08578	16.7
133.06534	1.0
133.10139	43.4
134.96205	0.8
135.08034	6.7
135.11719	6.2
137.09579	3.5
143.07341	1.3
143.08571	2.6
143.32274	0.8
145.06323	0.9
145.10123	14.5
147.08035	1.5
147.11687	16.9
149.09639	6.2
149.13239	2.0
151.11203	2.5
155.08516	1.7
157.10110	3.6
159.11707	8.9
161.09674	1.8
161.13258	5.1
163.11189	3.8
165.12730	1.1
169.10097	2.1
171.11678	2.8
173.13234	5.2
175.11209	1.7
175.14777	1.6
177.12646	1.5
183.11594	0.9
185.13274	3.0
187.11259	1.6
187.14807	0.9
189.12778	1.1
197.13292	2.2
201.12671	1.4
201.16394	1.6
203.14328	2.1
211.14758	1.4
213.16252	1.1
215.14255	0.9
215.17967	1.9
217.16066	1.1
219.17496	1.1
229.19469	2.2
233.15378	1.9
233.18959	1.0
239.17934	5.1
247.20554	4.8
257.19012	9.2
275.20074	100.0
275.27768	5.7
276.20386	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.58191	0.9
50.99269	0.8
53.03933	2.2
55.01854	1.6
55.05307	0.8
55.05515	10.9
57.03446	4.4
57.07063	1.4
65.03920	1.7
67.05505	17.8
69.03430	1.1
69.07063	9.1
71.04984	1.9
71.12478	2.1
79.05057	1.4
79.05495	21.5
81.03407	1.8
81.07060	27.0
83.04975	2.6
83.08627	5.7
85.06548	1.1
91.05482	33.5
93.07042	19.5
95.04955	4.2
95.08610	14.5
97.06505	2.2
97.10178	1.6
103.05480	1.1
105.07034	45.3
107.04955	6.0
107.08595	13.8
109.06503	6.2
109.10157	5.0
111.08053	2.0
117.07011	8.3
118.07745	1.0
119.08581	28.7
121.06498	3.8
121.10167	8.3
122.44341	0.9
123.08100	5.3
123.11736	2.0
125.09606	1.4
129.06982	3.0
131.08580	14.4
133.06494	1.7
133.10135	29.4
135.08064	5.9
135.11664	5.7
137.09639	3.6
143.08557	3.1
145.10129	13.5
147.08032	2.2
147.11693	17.2
149.09589	6.7
149.13206	1.5
151.11189	2.0
155.08525	2.5
155.79416	1.0
157.10120	2.5
158.05966	1.2
159.11670	9.9
161.09627	2.0
161.13263	5.8
163.11186	3.4
169.10149	1.3
171.11652	2.0
173.13303	4.8
175.11209	2.0
175.14854	1.2
177.12787	2.7
183.11632	2.2
185.13290	2.6
187.14807	1.9
197.13239	2.7
201.16400	1.7
203.14281	2.6
219.17378	1.3
229.19533	1.9
233.18994	1.1
239.17946	5.1
247.20656	3.4
257.19019	9.1
275.20068	100.0
275.27744	4.6
276.20493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02359	0.5
53.01833	0.4
53.03939	2.0
55.01868	3.8
55.05510	14.6
55.05777	0.8
57.03421	1.5
57.07059	1.2
59.04996	0.6
64.55304	0.4
65.03939	1.0
67.05506	19.2
68.49512	0.4
69.03438	0.7
69.06715	0.6
69.07069	9.7
70.06577	0.7
70.70450	1.0
71.05007	2.2
73.06534	0.5
77.03938	0.7
79.05493	20.5
79.05958	1.0
79.46782	0.5
81.03432	0.9
81.07059	24.6
83.04973	2.7
83.08617	5.5
85.02864	0.7
85.06526	1.3
86.09705	0.8
91.05481	38.6
92.05797	0.5
93.07047	21.4
95.04968	5.0
95.08607	14.6
97.06525	3.4
97.10158	2.3
98.20895	0.6
103.05463	1.9
104.06284	0.5
105.07032	54.7
107.04957	4.5
107.08599	14.1
109.06512	5.3
109.10153	6.6
111.08074	1.9
115.05439	1.1
117.07026	9.8
118.07825	0.7
119.08583	31.8
120.41582	0.4
121.06524	4.4
121.10146	9.5
123.08078	2.8
123.11691	1.7
124.71877	0.5
125.09618	1.6
128.06186	0.5
129.07022	2.6
130.03223	1.5
130.06491	0.5
130.07751	0.6
131.08575	14.9
133.06514	1.2
133.10133	32.3
135.08055	5.2
135.11700	4.0
137.09625	2.8
138.91060	0.4
139.11186	0.6
141.06978	1.4
142.07806	0.6
143.08545	2.5
145.06467	0.9
145.10124	14.0
146.05984	0.7
147.08049	2.2
147.11688	19.3
149.09628	7.4
149.13249	1.8
151.11179	2.6
155.08568	1.4
157.10132	3.3
158.06076	0.8
159.11697	8.6
160.12466	0.5
161.09610	1.4
161.13269	6.4
163.11206	4.0
163.14813	0.5
165.09132	1.0
165.12817	1.1
167.10670	0.5
169.08855	0.5
169.10112	2.2
171.11720	3.2
173.09703	1.1
173.13260	4.9
175.11156	2.1
175.14842	1.1
177.09047	0.5
177.12755	2.0
183.11674	2.2
185.13278	0.9
187.11215	1.6
187.14864	1.5
189.12766	0.9
191.10577	0.4
191.14317	0.8
193.12167	0.7
197.13287	1.8
199.14830	0.9
201.12781	1.2
211.14865	1.1
213.16347	0.8
215.14317	0.7
215.17960	1.5
219.13812	1.0
229.15891	0.7
229.19478	2.3
233.15311	0.9
233.18927	1.0
239.18007	5.0
247.20575	2.7
257.19000	10.9
275.20059	100.0
276.20407	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11422	2.1
52.41063	2.3
62.98262	15.4
69.50889	4.2
69.51293	8.0
71.76992	2.1
72.08125	1.8
72.96986	1.9
78.95639	22.3
84.08132	7.7
96.92228	19.0
101.00871	4.3
118.03451	2.0
119.01917	29.4
129.10214	3.1
137.02934	5.1
142.03499	4.7
145.03467	7.5
153.01411	1.9
158.96404	8.5
159.05045	8.8
163.04539	2.9
170.94322	95.2
174.93837	10.5
181.04839	2.7
187.04492	7.2
189.02480	3.9
199.05693	11.8
200.97495	12.6
212.95457	2.3
213.02599	2.5
214.93225	3.0
216.94853	100.0
217.06691	8.1
231.03508	4.0
245.06128	14.8
259.78140	2.2
263.07236	2.5
274.90753	10.8
274.95425	5.2
275.02017	4.1
275.06448	3.8
275.20914	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	275.0075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	62.1
58.99874	1.4
67.02451	1.1
70.06562	2.3
70.98116	15.2
71.02325	2.8
72.08158	2.2
84.08144	8.2
84.96040	1.4
85.01376	1.5
86.09669	1.4
88.99152	4.2
98.97583	49.4
99.25161	1.5
101.00864	3.8
103.02435	1.9
108.07322	1.3
110.97571	21.3
113.00877	3.1
115.02472	1.4
116.98616	21.0
117.46606	1.3
119.01919	13.3
125.07109	3.0
128.98610	23.8
129.10199	2.1
131.01895	9.9
133.01741	1.4
134.99680	6.3
135.04378	1.9
137.02982	1.8
143.01804	1.7
145.03465	4.4
146.99638	16.5
149.02979	4.3
154.96472	2.3
156.98087	16.5
157.03471	4.5
159.05029	5.1
161.02934	1.6
163.03880	7.4
165.00711	3.7
169.03430	1.8
172.94336	2.3
172.97580	14.8
174.99147	100.0
175.99533	1.8
177.00815	1.6
177.02454	3.7
185.02960	3.9
187.04512	1.7
189.02466	3.1
190.95616	1.2
190.98634	21.2
193.00212	82.0
195.03403	1.4
198.00737	1.6
202.98578	2.0
203.04027	12.2
205.00214	2.8
208.99725	4.7
211.01224	5.0
213.02435	8.0
214.98711	1.4
218.98135	5.8
221.03000	15.2
221.04953	1.6
223.01160	2.1
229.01912	2.1
231.03450	8.5
232.96440	1.9
232.99663	10.6
239.04082	1.4
251.00615	7.5
256.96536	2.8
274.97498	25.6
275.00787	6.7
275.04025	4.8
275.10947	8.1
292.98544	13.2
293.03705	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	274.9751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90638	0.5
52.24381	0.6
53.45651	0.6
56.96567	12.2
60.95125	0.6
62.93839	0.6
66.34599	0.5
66.51695	0.5
70.75404	1.8
70.95860	1.8
71.95252	3.0
81.89124	0.6
84.08136	2.0
98.97584	100.0
101.00881	2.0
103.24657	0.6
116.98621	60.4
119.01908	4.9
130.93274	1.4
134.98622	1.2
134.99655	21.7
137.03000	1.0
140.00238	1.1
142.03488	1.8
143.01936	0.9
153.00757	1.7
158.01218	0.7
161.02959	1.1
172.94304	4.5
177.00961	3.7
185.02962	1.0
190.95372	5.6
203.02458	1.7
208.96170	1.9
214.95332	1.7
219.02101	1.9
232.96400	7.7
238.95526	1.0
240.98917	0.8
248.96114	1.0
249.99321	6.2
250.49225	0.7
250.97369	4.0
251.46272	0.7
256.96481	18.8
257.96817	1.0
258.96420	1.3
260.46893	0.9
261.03061	4.8
261.50134	2.0
274.97479	87.1
275.04587	2.6
275.97729	0.8
282.99918	1.6
288.99084	1.7
292.98532	46.8
297.99020	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2741
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
56.25587	0.3
57.06821	0.5
57.07079	6.3
62.81120	0.3
63.46841	0.3
66.70715	0.3
70.06598	10.8
71.03390	0.3
71.08640	2.7
85.10170	0.9
88.07639	13.6
96.11433	0.3
102.09183	4.3
102.65582	0.3
106.08681	7.4
129.36815	0.3
129.81119	0.3
162.09485	0.3
212.23773	0.4
230.24825	0.9
256.26367	5.6
274.27423	100.0
275.27869	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24844	0.5
53.03944	0.6
55.01875	1.4
55.05509	1.8
55.93496	0.5
56.05032	1.5
56.96565	3.8
60.04517	0.8
60.05641	2.2
67.05505	0.8
69.07079	1.4
70.06594	11.6
71.04977	2.2
71.57577	0.8
72.08153	6.3
73.60390	0.6
74.06094	0.9
81.03428	3.8
81.54027	0.6
82.06566	0.7
84.04517	2.8
84.08145	8.1
85.02911	1.0
86.09709	100.0
87.04459	0.9
88.03987	0.7
88.07632	1.1
90.05581	0.9
91.05502	1.0
93.07088	0.8
93.82224	0.6
94.06572	0.8
95.06084	0.6
95.08614	1.7
96.04520	1.2
97.06568	0.7
98.06060	1.1
98.97606	1.2
99.04464	0.6
102.05556	0.8
110.07145	0.8
112.02179	6.3
112.08751	1.2
115.08652	0.8
116.07104	1.3
116.98615	1.0
119.08549	0.7
120.08153	1.3
122.06049	2.6
124.03926	0.8
124.07681	0.7
126.05556	0.8
129.10255	3.4
130.04996	1.0
130.06523	0.9
130.08603	1.0
134.99661	0.9
136.03973	0.8
137.09657	0.7
140.07066	6.5
144.10194	1.7
146.99715	0.8
149.00536	0.7
150.05510	0.6
154.05086	0.7
156.06619	0.8
157.13370	52.9
158.09299	1.5
161.09241	2.4
161.12877	1.6
164.10756	0.7
165.09169	2.7
167.01648	0.9
168.06555	8.7
175.11928	4.1
178.04906	0.7
182.11771	1.2
183.17227	0.8
185.12872	18.6
185.14566	0.9
196.06087	1.4
203.13887	3.7
221.03062	1.5
228.08682	2.0
242.06593	2.4
256.08167	4.0
256.15683	1.3
257.16211	1.0
274.09424	1.1
274.12878	2.0
274.16492	2.2
274.19000	8.2
274.21451	1.2
274.27448	4.1
287.93506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	15.0
54.04720	1.9
55.05501	7.4
56.05028	5.7
57.01123	1.0
58.99577	1.3
61.01137	6.0
65.03912	1.6
67.05504	31.5
68.05017	4.7
68.07841	1.1
69.05798	1.4
69.07079	2.7
70.06588	2.1
70.83176	2.2
70.83507	1.6
71.04967	1.7
79.05499	12.6
80.05016	11.5
81.05804	2.4
81.07056	34.6
82.06574	4.3
85.00639	1.6
85.01130	27.8
85.06539	1.3
87.02691	37.6
87.59989	1.1
89.04249	1.5
90.90701	1.1
91.05463	4.8
93.05770	1.6
93.07021	4.9
94.06577	3.9
95.08591	1.8
96.08116	7.2
98.09686	10.8
100.03459	1.8
101.04243	2.7
102.01375	1.7
105.06998	6.0
106.06548	7.5
107.08621	1.5
108.07416	2.3
108.08115	30.7
109.08916	2.1
110.09692	5.5
111.10459	2.9
113.02934	1.2
114.00096	3.1
117.03719	100.0
119.08576	2.2
120.08092	4.9
121.08896	1.2
121.10073	2.4
121.42980	1.2
122.09644	5.8
123.11707	2.2
133.10101	1.9
134.10930	6.3
142.06874	1.2
148.11205	17.3
148.57048	1.1
150.12767	22.8
150.13950	1.1
151.13550	13.7
168.04836	1.2
181.76808	1.2
183.10710	1.1
196.11539	9.2
197.37090	1.2
199.10210	4.2
210.09479	57.6
214.12610	95.5
218.01593	3.0
246.09700	2.6
258.72195	1.2
260.02588	2.9
274.04077	1.3
274.09317	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	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.46634	1.5
53.03957	1.6
54.31017	1.3
55.05511	16.1
57.07079	10.6
67.05501	22.8
69.06713	2.4
69.07067	35.7
69.31085	8.0
69.31506	5.6
71.08638	1.7
79.05488	15.1
80.27111	1.8
81.07060	70.4
83.08624	14.3
91.05475	13.2
93.07047	30.0
95.04930	1.7
95.08607	70.1
97.10178	13.1
105.07030	26.3
107.08596	48.4
109.06501	2.1
109.10154	53.4
111.11694	4.8
119.08580	24.2
121.10139	43.5
123.11703	37.0
131.08557	1.5
133.10130	15.0
135.11681	26.3
137.13240	12.5
145.10120	2.0
146.17514	1.5
147.11685	18.9
149.13252	39.6
151.14801	6.4
159.11685	2.6
161.13269	24.1
163.14821	29.8
165.16345	1.8
175.14847	9.8
177.16408	16.5
183.90993	1.4
189.16371	21.5
191.17984	11.5
203.17970	12.4
217.19501	24.3
231.21129	4.9
273.23157	3.8
273.25775	100.0
282.22510	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
53.91278	3.2
55.01855	4.8
55.05501	16.7
57.03434	4.8
57.07072	4.2
61.55717	3.2
67.05515	21.3
69.05785	3.7
69.07067	25.9
69.93449	13.3
69.93872	5.2
70.06595	6.3
71.04977	6.5
72.68919	3.5
79.05501	29.6
81.07058	39.1
83.04996	4.1
83.08608	8.8
83.27925	3.5
85.06535	5.5
86.09705	14.0
87.05562	4.5
91.02168	4.7
91.05489	30.1
93.07053	26.1
95.04969	10.1
95.08616	29.1
97.06528	6.4
97.10155	4.4
98.21041	7.9
98.97543	3.8
105.07043	36.0
107.08608	35.2
109.06538	12.5
109.10152	13.4
111.04485	4.1
111.08069	4.0
116.05313	4.4
117.07008	12.6
119.04955	20.8
119.08591	30.3
121.10149	17.0
123.08025	5.6
123.11698	7.7
128.06215	7.4
129.06995	12.6
130.06519	4.8
131.08580	22.7
133.06500	12.3
133.10143	21.0
135.08047	10.2
135.11691	10.7
141.06944	4.3
142.07773	8.0
143.08565	15.6
145.10124	24.4
147.04405	43.5
147.08078	8.7
147.11722	11.7
149.09669	8.0
149.13263	7.4
153.01828	95.6
155.08589	7.6
156.09381	8.2
157.10124	21.3
159.08089	4.8
159.11700	16.2
161.09618	8.7
161.13283	7.7
163.03847	5.1
163.14807	5.3
169.10201	7.6
170.10931	6.1
171.11681	21.5
173.09619	10.3
173.13321	9.9
175.11185	7.4
175.14857	5.6
177.16328	4.9
179.08487	4.9
181.10095	4.9
183.11719	8.8
185.09714	4.8
185.13213	8.9
186.56718	4.2
189.12737	9.0
195.11728	6.1
197.13333	20.1
199.11188	9.9
205.43896	4.2
209.13396	6.6
211.14812	10.6
212.15636	5.2
213.09520	3.9
213.16455	20.9
215.14326	6.7
217.19466	4.0
225.10226	3.9
227.06427	7.8
227.14326	6.3
227.17928	5.6
228.04755	4.9
229.15965	5.7
237.16402	7.0
255.17368	32.1
273.07623	78.9
273.10394	11.6
273.15411	5.2
273.18533	100.0
273.23190	5.6
273.25760	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	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03944	4.0
53.91278	3.2
55.01855	4.8
55.05501	16.7
57.03434	4.8
57.07072	4.2
61.55717	3.2
67.05515	21.3
69.05785	3.7
69.07067	25.9
69.93449	13.3
69.93872	5.2
70.06595	6.3
71.04977	6.5
72.68919	3.5
79.05501	29.6
81.07058	39.1
83.04996	4.1
83.08608	8.8
83.27925	3.5
85.06535	5.5
86.09705	14.0
87.05562	4.5
91.02168	4.7
91.05489	30.1
93.07053	26.1
95.04969	10.1
95.08616	29.1
97.06528	6.4
97.10155	4.4
98.21041	7.9
98.97543	3.8
105.07043	36.0
107.08608	35.2
109.06538	12.5
109.10152	13.4
111.04485	4.1
111.08069	4.0
116.05313	4.4
117.07008	12.6
119.04955	20.8
119.08591	30.3
121.10149	17.0
123.08025	5.6
123.11698	7.7
128.06215	7.4
129.06995	12.6
130.06519	4.8
131.08580	22.7
133.06500	12.3
133.10143	21.0
135.08047	10.2
135.11691	10.7
141.06944	4.3
142.07773	8.0
143.08565	15.6
145.10124	24.4
147.04405	43.5
147.08078	8.7
147.11722	11.7
149.09669	8.0
149.13263	7.4
153.01828	95.6
155.08589	7.6
156.09381	8.2
157.10124	21.3
159.08089	4.8
159.11700	16.2
161.09618	8.7
161.13283	7.7
163.03847	5.1
163.14807	5.3
169.10201	7.6
170.10931	6.1
171.11681	21.5
173.09619	10.3
173.13321	9.9
175.11185	7.4
175.14857	5.6
177.16328	4.9
179.08487	4.9
181.10095	4.9
183.11719	8.8
185.09714	4.8
185.13213	8.9
186.56718	4.2
189.12737	9.0
195.11728	6.1
197.13333	20.1
199.11188	9.9
205.43896	4.2
209.13396	6.6
211.14812	10.6
212.15636	5.2
213.09520	3.9
213.16455	20.9
215.14326	6.7
217.19466	4.0
225.10226	3.9
227.06427	7.8
227.14326	6.3
227.17928	5.6
228.04755	4.9
229.15965	5.7
237.16402	7.0
255.17368	32.1
273.07623	78.9
273.10394	11.6
273.15411	5.2
273.18533	100.0
273.23190	5.6
273.25760	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	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03944	1.8
55.01857	3.5
55.05512	30.0
57.03429	1.7
57.07072	1.0
59.04998	1.4
60.46025	0.7
62.95641	0.8
65.03922	1.7
67.05162	1.2
67.05504	16.6
69.03417	1.1
69.07068	12.5
70.06592	1.4
70.57552	1.4
71.04978	2.2
73.06570	0.9
76.62450	0.9
79.05492	13.2
81.07056	19.2
83.04963	2.1
83.08616	9.8
85.06531	1.2
91.05479	35.9
93.07042	15.6
95.04949	2.9
95.08604	11.0
97.06528	2.9
97.10176	6.4
98.21036	1.5
103.05467	2.8
105.07031	32.1
107.04945	1.5
107.08578	8.6
109.06518	2.7
109.10151	2.6
111.08095	1.4
115.05433	4.9
116.06221	4.2
117.07018	31.1
119.04955	1.1
119.08580	18.7
121.06528	2.7
121.10134	3.2
121.63407	0.7
123.08056	2.7
125.09592	1.8
128.06218	7.5
129.07010	15.5
130.06758	1.1
130.07779	10.0
131.04871	1.1
131.08568	69.8
133.06477	3.3
133.10143	8.9
135.08055	2.4
135.11711	1.7
137.09616	1.7
141.07004	2.8
142.07794	3.8
143.08557	53.6
144.09271	2.3
145.06493	2.1
145.10120	71.1
147.08043	7.5
147.11693	3.3
149.09628	2.1
155.08578	3.4
156.04678	1.3
156.09334	1.4
157.10117	17.1
158.10927	1.4
159.08093	3.3
159.11687	15.1
161.09625	6.3
163.11113	1.5
165.06989	1.1
167.08586	1.9
169.10130	7.1
171.11681	10.8
172.12419	1.0
173.09621	2.7
173.13290	2.8
175.11169	2.8
177.12622	1.0
181.10109	3.9
183.11674	2.6
185.09540	1.3
185.13269	2.9
187.11211	1.0
189.12712	1.4
195.11659	7.7
196.36266	0.8
199.11201	1.5
199.14862	1.5
209.13214	1.4
211.14864	2.1
213.12852	1.8
213.16287	1.2
218.09883	0.8
227.14398	1.5
227.17969	4.0
237.16400	14.8
237.18674	1.6
245.19023	2.0
255.17442	16.4
273.10217	2.1
273.18497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.01864	1.3
55.05515	4.1
57.07062	2.4
59.04980	1.1
65.03903	1.1
67.05505	4.9
69.03412	1.1
69.07075	6.5
70.49690	2.8
70.50063	1.2
71.04997	5.4
79.05497	7.3
81.07065	8.5
83.05019	4.1
83.08595	2.5
85.06566	5.0
85.06979	1.0
91.05478	8.1
93.07052	7.9
95.04969	23.2
95.08614	6.8
97.06535	2.0
98.21323	1.1
99.08099	1.6
105.07034	19.8
107.08600	11.1
109.06522	22.1
109.10168	8.8
111.08061	4.6
113.05988	1.3
117.07030	5.8
119.08586	26.8
121.06500	1.7
121.10130	6.4
123.08072	17.7
123.11670	2.4
125.09631	1.5
128.06227	2.8
129.07021	5.6
130.07779	3.9
131.08578	14.6
133.06563	1.2
133.10144	9.5
135.08052	8.4
135.11691	2.3
137.09610	8.0
141.06960	2.2
142.07797	7.3
143.08545	11.8
144.09262	2.2
145.10129	43.5
147.08046	5.9
147.11682	15.7
149.09619	2.4
151.07573	2.4
151.11163	4.7
153.06982	1.3
155.08563	5.3
156.09357	10.8
157.10133	21.6
158.07315	1.0
158.10912	4.8
159.08075	4.8
159.11691	14.0
161.09641	6.7
161.13242	4.0
163.11208	2.8
167.08559	2.1
169.10115	3.9
170.10956	2.9
171.11697	23.7
172.12439	3.1
173.09631	9.3
173.13275	23.9
173.14827	1.1
174.10374	3.4
175.11192	12.2
177.09190	1.2
177.12732	2.0
179.10612	1.7
181.10088	1.9
182.10873	4.8
183.11710	4.2
184.12500	1.0
185.09689	1.0
185.13251	8.8
186.10356	1.3
187.11185	15.9
187.14754	6.3
188.12059	1.1
189.12752	19.8
189.16377	1.5
191.14232	1.7
193.10182	1.4
193.12115	1.1
195.11700	3.6
196.12517	2.1
197.13239	13.4
199.11165	8.6
200.11957	1.6
201.12773	2.6
203.14320	4.5
203.17793	1.0
207.11696	2.9
209.13377	1.0
211.14757	4.6
212.15579	3.7
213.12868	5.8
213.16388	14.1
214.13472	1.8
215.12219	1.8
215.14311	37.6
217.12273	8.9
222.14034	1.2
225.12753	2.8
227.17828	1.8
229.15909	3.7
230.16490	1.1
231.13826	1.5
231.17447	18.0
237.16418	2.9
240.15057	1.9
243.13741	2.2
245.19121	1.3
255.17458	30.5
257.13147	1.0
273.18488	100.0
274.18869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.1
55.01873	27.5
55.05516	21.8
55.47256	3.3
55.93525	8.2
57.03440	37.7
60.04519	5.8
63.40860	3.1
64.04622	3.0
67.05511	28.1
68.05029	4.7
69.03417	5.9
69.07066	9.2
69.76006	12.4
69.76413	6.0
70.06593	26.9
71.04988	10.0
71.11109	2.9
72.08150	14.9
72.93770	6.6
73.02916	4.8
79.05495	72.2
80.05013	3.3
81.03412	10.3
81.07063	49.9
83.04976	5.4
83.08608	10.8
84.04502	9.1
84.08141	20.5
85.01133	6.9
85.02917	7.8
85.06551	6.1
86.09709	31.5
88.04013	4.5
88.91515	3.5
90.94786	4.1
91.05485	50.1
93.07051	52.3
95.04965	11.6
95.08038	5.1
95.08612	66.2
97.02883	13.4
97.06506	12.1
97.10174	5.1
98.21198	10.7
101.02342	7.7
105.07014	9.1
107.04961	37.3
107.08599	46.6
108.08109	11.7
109.06503	9.0
109.10152	5.5
110.07197	6.3
111.04425	5.9
111.08084	12.4
112.02173	3.3
113.06001	5.6
115.05464	8.9
116.05311	7.3
116.07156	3.2
117.07032	40.4
119.04945	6.1
119.08591	7.7
120.08112	4.7
121.06526	22.9
121.29525	2.8
121.30447	3.8
123.08071	8.1
125.06036	3.7
125.09646	22.9
128.07079	6.0
129.10242	10.1
131.29776	3.7
133.01421	4.5
133.10162	4.4
135.08060	100.0
135.09102	5.5
137.05980	34.1
139.03885	8.5
139.07520	8.0
141.09119	4.1
144.95746	4.2
145.06462	12.1
147.04402	5.1
149.05975	3.6
153.01808	4.1
153.05354	3.9
153.09094	49.2
154.08662	5.5
157.08571	3.8
163.07545	64.9
167.07080	4.7
167.11749	3.5
168.10240	4.4
178.97885	5.2
181.08617	73.8
183.06566	4.7
185.96710	9.3
191.10660	4.6
199.09645	45.0
202.97849	11.0
203.97807	5.3
206.97389	5.4
211.09631	12.2
213.07431	4.4
213.12329	14.3
220.98984	5.2
221.96828	2.9
224.98531	5.3
227.06752	7.2
237.11241	14.8
249.96562	14.3
255.12257	39.8
272.98462	10.9
273.04410	5.8
273.07346	28.6
273.13327	66.6
273.18607	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	273.1122
Annotation	Warburgin
Peak:m/z	Relative Intensity
53.03936	7.1
54.87085	1.7
55.01867	7.6
55.05510	11.2
57.03424	4.3
61.76471	1.6
62.28627	1.6
63.50361	1.8
67.05507	14.0
69.03426	8.0
69.07056	10.0
70.06590	4.8
70.12042	7.1
71.04996	27.6
73.06551	2.7
75.51842	1.6
77.03918	4.0
79.05495	72.1
80.06261	6.6
81.07066	22.1
82.06603	2.0
83.08649	3.3
84.04501	1.9
84.08159	2.9
85.01124	1.9
86.09708	4.4
89.03876	3.9
91.02188	3.9
91.05464	13.7
92.81983	1.6
93.07045	7.3
95.04952	9.4
95.08611	6.6
97.06536	32.8
98.21165	3.9
101.04237	9.7
103.05444	3.1
105.03407	4.7
105.04491	2.5
105.07040	9.7
107.04948	3.5
107.08598	5.2
109.10162	3.0
111.08092	18.6
112.08863	7.5
113.04241	5.3
115.05448	6.8
117.03397	2.7
117.07028	9.4
119.04955	4.2
119.08586	8.1
121.06487	2.2
121.10114	4.9
128.06223	6.6
129.07036	8.6
130.04156	2.1
131.04921	5.3
131.08578	6.3
131.86737	1.8
133.02849	21.0
133.06433	2.9
133.10103	3.9
135.04434	3.4
135.08060	3.1
141.01944	2.0
141.06953	4.0
142.07773	3.6
143.04932	2.2
143.08565	3.5
144.05629	2.3
145.02898	4.5
145.06476	4.3
145.10115	5.7
147.04407	18.9
147.08032	3.3
147.11653	2.9
149.05971	2.0
151.03931	4.1
151.07585	2.3
152.06186	7.0
153.06976	3.6
156.08342	4.1
157.06502	7.7
157.10112	5.6
159.04401	6.4
159.08145	4.7
159.11656	3.1
161.02356	11.2
161.09686	2.8
161.13275	2.0
162.03105	15.2
163.03911	29.6
165.07018	3.1
167.08609	10.3
169.06506	3.8
170.07271	2.3
171.04385	4.7
171.07986	2.7
171.11763	4.0
173.02353	88.7
173.05966	4.2
175.03951	7.2
177.05479	24.1
177.06909	3.6
181.06459	7.1
183.04375	1.9
184.05150	3.0
185.06013	12.8
185.09682	5.3
185.13391	3.0
187.03917	16.6
187.07536	2.9
189.05551	2.3
194.00284	2.3
195.08040	16.2
197.05959	5.1
197.13257	2.6
198.06836	3.4
199.03857	15.1
199.07645	3.1
199.11197	2.3
201.05515	7.9
213.05426	12.1
213.09033	13.1
215.07043	46.1
215.10591	2.8
223.07578	9.2
225.07050	1.9
228.04774	4.1
236.43369	1.7
241.08592	100.0
255.09204	3.1
255.17491	6.2
273.03555	2.2
273.07187	3.9
273.11133	55.7
273.18512	23.1
273.25873	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	273.112
Annotation	Phoyunbene C
Peak:m/z	Relative Intensity
50.32025	1.8
55.01873	9.3
55.05493	5.2
57.03429	3.7
57.79990	1.5
67.05509	10.4
68.99780	5.5
69.03413	4.2
69.07037	4.8
71.01327	2.5
71.04961	2.0
71.58106	2.9
77.68800	1.9
79.05482	15.7
81.03398	3.1
81.07056	11.1
83.04960	3.1
83.08585	2.5
84.08113	4.4
85.01104	3.4
85.02868	5.9
85.06577	1.8
86.09685	4.1
91.05473	9.5
92.37624	2.0
93.07017	8.4
95.04942	6.3
95.08580	5.2
97.02878	2.0
97.06524	2.6
103.05450	7.3
105.07027	14.0
107.04939	8.1
107.08560	7.2
109.02893	2.2
109.06521	5.7
109.10133	2.4
111.04425	3.8
113.04159	2.5
115.05447	6.5
116.06256	3.5
117.06989	7.7
119.08560	5.6
119.47967	2.1
121.06485	6.3
123.04433	95.9
126.05470	4.5
127.03875	1.8
128.06192	5.2
129.07004	6.4
131.04883	6.4
131.08549	6.7
133.06493	3.8
133.10083	5.8
135.08057	17.0
137.05983	71.4
141.07002	6.8
143.04929	2.7
143.08530	6.0
144.05670	2.3
145.06520	2.6
145.10092	7.5
146.03604	2.0
147.04396	3.4
147.08035	5.4
147.11635	3.7
149.06027	12.7
150.96484	2.0
151.07538	4.6
152.06195	4.1
153.01804	2.3
153.06946	4.2
155.08514	2.7
157.06506	2.8
157.10114	2.8
158.07237	5.9
159.08015	3.3
159.11658	2.3
160.05164	3.6
161.05971	15.7
161.09592	3.0
163.03867	2.0
163.07544	32.5
165.06996	3.7
167.08542	10.0
169.06445	7.0
170.07289	3.8
171.04347	6.1
171.08032	5.1
171.11624	3.2
173.13176	2.5
174.06728	7.0
175.07520	6.2
177.09125	3.7
181.06424	4.4
183.08006	2.9
185.05934	5.2
185.09657	4.0
186.06718	5.5
187.07503	14.1
188.04665	6.1
189.05420	12.7
191.07018	14.1
195.08080	11.3
197.05957	5.6
199.03833	7.4
199.07552	3.9
201.09134	29.5
203.10620	5.3
211.07620	2.6
212.08234	2.6
213.09084	9.5
213.12538	2.4
214.06273	10.1
215.07082	2.6
215.10547	2.5
215.14301	2.1
217.04959	19.9
223.07607	4.0
227.10693	12.4
229.08597	11.2
231.10188	4.7
232.07292	32.5
233.17830	2.0
241.08499	4.9
245.11652	5.6
255.10144	10.9
255.17435	4.3
273.11169	100.0
273.18555	24.1
273.25723	3.5
276.25833	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1121
Annotation	Ephemeranthol B
Peak:m/z	Relative Intensity
53.03947	1.9
55.01873	4.7
55.05499	3.3
57.03440	1.7
57.07073	0.9
67.05510	5.7
68.05014	1.2
68.99783	1.8
69.03429	4.6
69.07057	1.7
70.06593	4.6
71.01357	1.8
71.04998	1.8
71.32204	1.2
79.05494	4.4
81.03436	6.2
81.03825	1.2
81.07043	3.3
83.04980	3.9
84.08113	1.4
85.02895	11.0
86.09669	1.3
87.00818	2.3
91.05486	5.9
93.07033	2.9
95.04968	4.1
95.08549	1.1
97.02875	3.7
97.06477	1.0
99.04449	1.4
101.02420	1.3
101.04219	1.3
103.05456	1.9
105.07012	3.3
107.04936	2.1
107.08585	2.4
109.02875	3.2
111.04432	2.6
111.08086	1.1
112.02155	0.9
115.05437	6.7
116.06271	1.9
117.07040	3.1
119.04888	1.3
119.08557	2.1
121.06460	2.0
121.10138	1.2
123.04427	2.5
123.08035	1.3
127.03900	3.3
128.06215	4.1
129.05594	0.9
129.07008	3.4
130.03236	1.2
130.07816	1.6
131.04935	3.8
131.08574	3.2
132.05728	1.4
133.06491	1.9
133.10126	1.3
135.08028	1.3
137.05998	3.4
141.07021	8.2
142.07765	2.0
143.04918	3.0
143.08537	3.8
143.23503	0.8
144.05710	5.9
145.06482	3.5
145.10101	2.2
147.04407	2.8
147.08018	1.7
149.05975	2.4
152.06194	4.4
153.01823	2.1
153.06956	4.4
155.04977	1.6
155.08546	2.9
157.06500	4.6
157.10112	2.3
158.07281	7.0
159.04439	1.7
159.08095	4.1
159.11684	1.2
160.05171	1.7
161.05986	19.3
161.09647	2.5
162.06740	2.8
163.03911	1.5
163.07556	2.8
164.08269	1.5
165.07025	4.2
166.07802	1.2
167.08553	11.6
168.05623	1.6
169.04977	4.1
169.06493	7.9
170.07300	3.4
171.02922	1.6
171.04401	5.1
171.08080	6.3
171.11649	1.1
172.05144	1.7
173.02390	2.3
173.05975	2.2
173.09627	2.8
174.06769	5.5
175.07535	5.5
177.05508	1.7
177.09175	1.5
181.06503	5.0
183.04483	1.3
183.08058	2.4
184.08778	1.6
185.05962	3.2
185.09602	3.5
186.06732	6.3
187.05957	2.3
187.07542	10.0
188.04623	5.4
188.08272	1.6
189.03949	1.9
189.05463	11.9
189.09126	1.6
191.07030	12.4
193.06456	1.1
194.07320	1.0
195.08080	12.3
196.05069	1.1
197.05986	5.2
198.06715	2.8
199.03946	8.3
199.07526	4.3
200.04718	2.1
200.08340	1.6
201.05444	1.6
201.09099	33.1
203.06975	1.7
203.10631	4.5
204.07797	2.7
209.09641	1.0
211.07558	2.4
212.08328	2.9
212.82980	1.0
213.05524	2.8
213.09045	9.7
213.12617	1.5
214.06233	9.4
215.07048	3.4
215.10658	5.0
217.04973	18.4
217.12195	1.8
223.07520	5.4
226.06548	1.0
227.06879	2.2
227.10651	11.9
228.04826	1.7
229.08598	12.7
231.10158	2.7
232.07306	36.0
240.07742	1.7
241.08603	4.9
243.10165	1.2
245.08051	1.6
245.11646	5.3
255.10147	13.7
255.17465	1.6
273.07401	5.8
273.11209	100.0
273.18375	7.7
275.02066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
50.40385	0.4
51.47254	0.4
53.03930	0.7
55.01869	0.8
55.05496	0.9
56.96553	0.6
57.03428	0.8
65.03941	0.7
67.01868	6.5
67.05498	2.1
68.99783	3.8
69.03423	1.8
69.07063	0.9
70.06580	1.5
70.39468	0.8
70.39819	1.2
71.04974	0.8
79.05475	1.3
81.03416	0.9
81.07036	1.7
83.01328	0.7
83.04969	0.4
84.04500	0.8
84.08116	1.1
85.02908	0.8
86.09697	0.9
91.04959	0.7
91.05482	7.9
93.07030	1.3
95.04973	3.0
95.08585	2.3
97.02869	1.7
97.06496	0.7
103.05446	0.9
105.07012	1.6
107.04958	4.1
107.08569	0.7
109.06486	0.6
109.10128	0.9
111.00752	0.7
111.04429	0.7
111.08083	0.4
117.07023	1.0
119.04948	14.0
119.08570	1.1
121.02872	0.5
121.06500	7.7
121.10174	0.9
123.04420	3.8
123.08051	0.8
125.02326	1.0
125.09676	0.5
127.03912	0.6
129.01816	0.8
129.06999	0.7
131.04883	0.9
131.08565	0.8
133.10109	0.6
133.11363	0.4
134.03630	1.5
135.04378	0.9
135.08066	0.7
137.05989	2.6
141.07008	0.5
142.07826	0.8
143.08553	0.6
145.06435	0.7
145.10139	1.0
147.04408	36.0
149.05978	12.6
149.09555	0.4
150.06842	0.6
151.03896	1.0
151.07521	5.7
152.06180	4.7
152.60724	0.5
153.01825	100.0
153.06984	19.0
153.08900	0.6
154.02193	1.0
157.06523	1.1
157.10152	1.7
159.11714	0.8
163.07558	0.9
165.06996	1.1
167.08542	1.3
169.06473	1.7
169.24565	0.5
170.07274	2.6
171.02890	31.9
173.76628	0.5
175.07518	0.8
176.08173	0.5
179.03398	1.5
179.07066	0.7
180.05669	1.0
181.06476	20.2
182.07283	1.5
183.08060	0.7
185.09630	0.7
189.05501	1.3
195.08017	2.7
197.06003	1.2
198.06787	3.0
199.07542	0.8
201.09158	0.6
208.99596	0.4
209.05945	4.5
210.06825	0.9
212.08284	0.5
213.09097	13.4
223.07491	0.6
226.06282	0.5
227.10786	0.8
231.06535	1.3
241.08606	12.6
242.09415	1.3
255.06543	0.6
255.10719	0.7
255.17722	0.6
273.07602	69.6
273.11145	9.4
273.18964	2.2
274.08060	1.1
280.37268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03951	0.4
53.94627	0.3
55.01870	0.5
56.24956	0.3
57.03432	1.0
59.74445	0.3
60.05731	0.3
65.03928	0.4
67.01872	2.7
67.05514	0.5
68.99785	2.0
69.03426	1.9
69.03764	0.4
69.07093	0.4
69.81548	0.3
70.06588	0.7
71.18846	1.0
79.05498	1.0
81.03407	0.6
81.07056	0.7
83.01351	0.7
85.02911	0.3
86.09670	0.4
91.05482	8.7
93.07054	0.8
95.04945	2.0
97.02888	1.3
105.07044	0.9
107.04961	2.7
107.08595	0.5
110.63491	0.3
111.00802	0.7
115.05477	0.4
117.06984	0.5
119.04946	18.2
121.02809	0.5
121.06516	0.8
123.04433	4.2
129.07004	0.5
131.08560	0.8
133.10168	0.7
135.08026	0.4
136.17125	0.3
143.08543	0.4
145.10112	0.6
147.04410	45.0
149.05968	0.4
151.03894	0.5
152.06114	0.4
153.01828	100.0
154.02147	0.7
157.10110	0.4
161.06123	0.5
167.08560	0.4
171.02892	2.5
171.08051	0.4
173.09662	0.4
179.03374	0.7
181.06505	1.4
189.05455	5.6
199.07472	0.4
210.75560	0.3
213.16400	0.4
227.07004	2.4
228.04753	0.7
231.06390	0.4
241.08693	0.4
245.07930	0.7
255.06540	1.2
273.07571	68.5
273.18408	1.7
274.07880	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83318	22.9
55.84605	22.2
56.96546	30.7
57.03434	28.0
63.64839	24.7
70.31854	92.5
73.02927	37.7
78.95628	26.5
79.65242	25.0
85.02902	66.7
97.02884	32.8
98.97610	28.0
102.38218	23.2
109.49638	27.0
119.01925	34.8
131.01915	32.4
143.01846	27.2
155.01904	30.3
159.03296	44.2
161.03023	28.0
169.56674	24.1
173.03029	24.5
174.04445	41.2
174.98953	26.2
183.05046	100.0
185.02971	43.3
203.03935	41.6
221.02878	35.2
223.04892	40.3
273.03671	58.7
273.09482	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1129
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
56.96566	9.5
57.03429	1.0
60.05636	0.9
61.02922	1.3
65.03937	5.3
65.30141	0.4
67.05495	0.6
69.03429	3.5
70.05767	2.1
70.06592	5.9
72.08160	1.2
73.02908	0.6
80.05009	1.2
81.03420	0.9
81.07049	0.7
82.06590	1.4
84.04494	0.9
84.08137	1.8
84.96021	2.8
85.02904	8.3
86.09718	2.1
87.04449	0.5
89.15429	0.4
92.05004	63.2
93.05266	0.7
93.05794	5.9
94.06571	10.7
95.06086	1.2
97.02901	2.1
98.97591	6.2
99.04459	1.0
103.00670	0.7
106.06541	0.4
109.02907	0.6
110.06042	100.0
110.07110	4.6
112.08720	0.5
116.07097	1.2
116.98622	2.7
119.01910	0.9
121.01686	0.8
122.48997	0.5
124.99130	0.8
127.03912	1.9
129.10243	1.1
131.00162	0.5
131.01913	0.7
131.03712	0.4
133.01761	0.5
134.99677	1.4
140.98607	1.8
143.00169	1.7
145.04988	0.5
152.07018	2.9
156.07643	0.6
158.02992	0.7
158.99651	4.1
161.01233	1.6
172.08263	0.4
177.00726	3.7
186.99222	0.6
198.09735	0.6
205.00194	0.6
208.14427	0.5
211.25537	0.4
223.01300	0.9
226.15584	1.2
231.07431	0.6
236.09238	0.5
244.10440	0.7
248.99127	3.1
249.08427	0.8
254.10483	2.2
254.15247	0.7
267.00272	1.8
272.08344	0.9
272.11359	26.0
272.16309	4.2
290.10995	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1904
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
50.64295	2.0
53.03936	4.0
55.01863	5.0
55.05514	42.9
57.03435	25.2
57.07060	5.9
65.03925	3.1
67.05507	65.0
69.07068	36.2
69.25145	4.4
69.25542	17.4
70.06568	1.8
71.04990	13.1
73.06544	2.3
79.05495	25.5
81.07059	95.7
83.04958	5.8
83.08196	2.1
83.08623	20.2
84.08140	2.4
85.01125	2.2
85.02866	1.8
85.06538	12.8
91.05483	25.5
93.07042	25.5
95.04939	4.6
95.08609	100.0
97.06536	15.4
97.10159	7.6
98.21111	9.9
99.08083	5.3
105.07027	23.3
107.08604	12.1
108.08012	1.9
109.06498	5.0
109.10161	20.8
111.08068	6.1
112.39710	2.0
115.49622	2.0
117.07049	3.3
119.07788	2.5
119.08582	30.2
121.10136	9.2
123.08043	5.3
123.11696	2.8
127.07565	2.4
129.07004	2.0
131.08562	4.4
133.10141	22.1
135.11682	9.3
137.09584	4.1
137.13216	8.1
143.08594	2.1
145.10138	3.6
149.13260	4.1
151.11093	3.0
159.08005	5.6
159.11711	6.8
161.13248	32.7
173.09615	2.7
175.14844	4.1
179.14322	9.3
183.11725	2.7
201.16248	3.0
211.07574	2.6
211.11243	1.9
239.06506	1.9
253.18117	3.5
261.98239	2.0
271.05948	9.0
271.09467	7.5
271.19131	60.1
271.23904	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98659	1.2
53.03936	2.5
55.01871	1.7
55.05513	20.5
57.03441	12.6
57.07067	3.5
60.93032	1.2
61.57471	1.0
64.23701	1.1
67.05164	1.8
67.05509	28.8
67.68813	1.1
68.99807	2.0
69.03429	2.5
69.07066	16.5
71.04998	6.6
79.05496	16.1
81.07060	47.6
83.04995	2.3
83.08624	12.3
83.64704	1.2
84.04506	1.8
85.06532	4.1
91.05482	17.7
93.07051	16.5
95.04942	2.7
95.08608	51.7
97.06537	7.4
97.10144	2.4
99.08093	3.1
105.07047	11.5
107.08617	8.0
109.06532	1.9
109.10151	9.7
111.08079	3.2
113.09665	1.7
115.99706	1.2
117.07009	1.9
119.04916	4.5
119.08572	14.6
121.02858	2.1
121.10130	5.3
123.04446	1.3
123.08070	3.9
123.11718	2.3
128.06314	1.1
128.14362	2.2
129.06978	1.9
130.06564	1.8
131.08575	2.9
133.06438	1.2
133.10136	9.2
135.11700	4.8
137.06001	8.0
137.09587	1.8
137.13231	4.2
143.08531	1.2
145.10121	4.6
147.11700	2.5
149.13249	2.5
151.11163	1.6
153.01846	10.8
153.07039	1.4
154.06503	1.2
155.08517	2.6
157.10063	2.5
159.08032	2.9
159.11682	5.0
161.13264	15.6
165.07024	2.4
169.06419	1.4
169.10054	1.7
171.02945	1.2
171.11665	1.6
173.13150	1.3
175.14784	1.4
175.60098	1.1
179.14323	5.2
183.08038	1.3
183.10471	1.5
185.13495	1.3
187.14868	1.8
198.12831	1.8
199.10764	1.4
210.64565	1.3
211.07495	2.2
213.10316	1.3
213.66933	1.3
226.12260	5.5
227.11714	2.8
229.16150	1.3
243.06523	2.2
243.14993	5.0
255.11427	1.7
256.12170	3.4
268.95367	1.3
271.06009	100.0
271.09262	5.3
271.14780	8.8
271.16992	2.8
271.19098	23.7
271.23987	12.1
272.06250	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.9
57.03417	1.7
64.79092	1.1
66.49001	1.3
67.05499	2.7
69.07072	3.8
70.06596	53.5
70.24318	4.7
72.08163	1.3
72.93791	1.8
81.07066	2.8
84.04514	1.4
84.08163	5.8
86.09206	2.3
86.09710	32.7
90.94798	1.7
91.05478	2.7
95.05003	1.4
95.08600	1.8
98.20860	1.6
105.07015	1.7
107.08596	1.8
110.07156	1.4
112.07599	1.8
113.58833	1.1
113.96409	1.8
116.07095	100.0
119.04936	1.4
120.08130	1.8
120.14305	1.1
128.10713	20.2
130.06540	1.7
130.97867	1.1
132.95786	2.1
133.10143	2.4
135.11665	1.1
140.07066	1.5
150.96887	1.3
152.07167	1.3
153.07013	1.7
155.97459	1.4
156.08224	1.2
156.10255	2.4
165.07062	2.8
181.08446	2.1
183.08047	2.0
209.07912	2.8
211.07484	1.5
243.81892	1.4
271.05701	7.0
271.10010	1.7
271.14569	4.3
272.18509	1.6
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
55.01847	1.1
55.05511	1.4
67.05502	2.7
69.07070	5.3
70.06598	59.4
71.58005	1.4
72.08147	1.0
72.93782	1.3
79.05480	1.5
81.07047	2.9
84.08146	2.0
85.06538	1.2
86.09213	1.9
86.09714	30.4
91.05488	2.2
93.07088	1.7
95.08592	1.8
97.10178	1.4
100.60404	1.0
105.07019	1.6
109.10164	2.1
112.07607	2.9
113.96365	1.3
116.07100	100.0
119.08569	1.3
120.08130	2.1
121.02859	0.9
128.10736	19.3
129.06943	1.0
130.06508	1.9
132.95856	1.2
133.10149	1.9
140.07005	1.2
152.07088	1.1
156.10202	2.6
165.07011	1.5
181.08415	1.8
199.05649	1.0
209.07916	3.2
243.14926	2.4
254.17610	1.8
266.91370	1.0
271.05997	3.4
271.10034	1.3
271.14526	3.8
272.18738	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
52.73248	0.7
55.05499	1.2
56.36021	0.8
61.78957	0.7
67.05506	1.6
69.07078	0.8
79.05496	1.9
81.07057	2.2
83.08646	1.0
86.04881	0.8
91.05479	2.1
93.07051	2.1
94.06547	1.6
95.08633	1.9
96.08148	1.9
98.20956	3.8
105.07014	1.8
106.06575	1.2
107.08606	1.2
108.08125	10.6
109.10181	1.5
119.08579	1.5
121.10123	0.9
121.88161	0.7
122.09670	1.6
124.07623	1.1
129.07005	1.9
133.10170	1.4
134.05931	1.4
136.07588	2.0
142.07770	1.3
144.08073	1.6
145.08784	0.8
145.10123	0.9
148.07658	0.8
154.06564	1.1
156.09373	0.8
157.10123	1.7
158.09648	1.2
159.08054	2.9
159.09215	1.7
159.11690	1.1
161.13252	0.9
166.07758	0.9
168.08043	6.0
169.08920	4.3
170.09702	1.7
171.59949	0.8
172.07642	1.5
172.11212	0.9
174.09203	1.0
181.10181	2.2
182.09662	3.3
183.10413	9.6
183.11812	1.1
185.10739	1.6
186.11523	2.1
196.07593	4.7
197.08356	8.7
198.09100	0.9
198.12788	8.4
199.08673	9.2
199.12302	1.5
200.13083	1.8
210.09119	2.9
210.11343	0.8
211.09978	13.0
212.09509	2.4
213.10248	12.7
214.11011	4.4
215.15495	3.7
225.11494	0.8
225.13864	1.6
226.10220	1.4
226.12303	29.1
227.08237	1.8
227.11803	22.9
228.12567	29.4
238.10727	0.8
240.09087	1.2
241.09737	3.2
241.13361	1.3
242.10498	1.5
243.14949	23.1
253.13370	4.9
254.11760	1.6
255.11298	38.7
256.12082	46.2
271.06158	2.3
271.14420	100.0
271.24222	2.1
272.15048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	0.4
60.08165	4.8
61.31357	0.4
69.94134	1.5
70.50356	0.4
78.40809	0.4
79.65458	0.4
80.37319	0.4
94.92970	0.5
101.00926	0.9
102.53773	0.4
104.10744	100.0
110.07177	0.5
110.34236	0.5
119.01942	1.7
136.06145	2.2
137.06578	0.6
138.05498	1.8
141.59337	0.4
169.55046	0.4
270.05530	0.4
270.14572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01871	1.3
55.05513	1.2
56.05035	1.9
56.96566	2.8
57.03438	2.2
58.99870	1.3
60.08163	1.0
61.02917	1.3
67.05495	1.3
68.05041	1.7
69.03434	4.0
69.07069	15.5
70.03751	0.8
70.04937	2.3
70.06597	7.4
70.99865	1.2
72.08152	1.5
73.02930	1.5
73.06551	2.7
74.40997	0.6
74.53262	0.6
77.00895	1.1
79.05482	2.1
79.05905	0.6
81.03419	0.9
81.04543	1.7
82.01451	0.8
82.05321	2.7
83.06103	11.2
83.09909	0.7
83.62029	0.6
84.04479	0.8
84.08142	4.0
85.02911	2.6
86.06088	0.7
86.09711	2.7
87.10048	1.0
91.05502	0.7
93.04537	7.2
94.04860	0.7
94.06547	1.1
95.05066	1.0
95.06088	20.0
96.06391	0.7
97.01389	1.7
97.02856	0.8
97.06538	7.8
98.97594	1.4
99.04463	1.4
99.05591	0.7
100.02496	4.0
100.04768	0.6
101.00879	11.4
103.02471	0.7
104.10748	27.2
107.06074	3.0
109.06353	0.8
110.07167	91.3
111.05576	1.9
111.06849	2.1
111.07502	7.2
112.05074	0.8
112.08741	4.4
113.00844	1.2
115.02431	12.4
116.07056	0.8
117.03983	1.2
118.03538	2.0
119.01920	40.8
119.06075	1.0
121.07660	1.6
122.07137	1.4
123.09187	0.9
126.98769	1.0
127.02354	0.8
127.03896	0.8
127.08787	0.8
128.00121	0.9
128.04083	0.7
129.03961	3.1
130.03497	0.8
131.01892	3.6
131.06044	1.0
133.03468	16.6
133.06358	0.6
133.06689	0.6
133.07620	3.9
136.06184	1.4
136.07558	2.8
137.02948	8.3
137.07883	2.2
138.05525	3.2
138.06479	1.0
142.03473	2.4
143.01888	2.5
144.99832	3.1
145.03445	3.2
146.01291	0.9
147.01378	1.6
147.05013	4.8
148.08684	1.4
149.02945	1.2
151.04570	1.5
154.03487	2.6
155.55794	0.7
156.07701	10.4
157.08028	2.5
159.01389	3.0
160.04556	2.2
161.02974	5.6
161.10785	1.9
168.99838	6.0
171.01361	2.4
172.04567	3.8
173.02936	2.6
174.06265	0.8
175.00868	0.9
175.04488	0.8
177.02443	1.6
179.11812	12.2
182.02979	2.9
185.03137	0.8
187.00902	9.6
188.11792	3.3
189.02473	4.8
189.10231	1.0
191.04053	1.0
196.12067	2.9
196.99342	2.6
197.12788	1.1
199.00839	2.8
200.04007	1.0
201.02420	1.6
205.01935	3.5
206.12885	8.3
207.03484	1.0
209.12852	4.0
210.02490	1.4
211.57549	0.7
212.04034	1.6
215.00377	9.5
217.01964	6.0
219.03441	1.5
224.13934	65.7
225.12399	2.1
226.15523	2.3
228.03619	0.9
229.01892	2.5
233.01355	2.0
238.01952	2.3
246.03770	0.8
247.03003	6.9
251.02417	1.4
252.13216	1.7
253.09216	0.7
256.03052	2.9
261.04266	0.7
265.03979	2.1
270.04556	1.5
270.14450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
56.05037	2.4
56.96569	8.3
57.03441	1.4
58.99863	1.1
60.04527	0.6
61.02936	0.6
68.05038	1.2
69.03424	5.0
69.07069	12.1
70.03770	1.3
70.06589	6.0
70.94563	1.5
71.04965	0.7
72.08158	1.6
72.71973	0.7
73.02928	0.8
73.06556	1.8
77.00932	0.7
79.05495	1.6
80.05012	0.6
81.03423	2.9
81.04532	1.2
82.05328	2.1
82.06575	1.0
82.99850	0.7
83.06106	9.7
84.04504	0.8
84.08162	3.4
84.96046	0.8
85.02910	1.9
86.09714	8.6
89.00896	0.5
91.05450	0.5
93.04533	6.4
94.04868	0.8
95.06091	17.7
97.01385	1.1
97.02914	0.8
97.06532	8.3
97.99207	0.6
98.97601	2.3
99.04473	2.0
100.02503	2.6
100.04778	0.7
101.00891	9.7
103.02452	0.8
104.10748	6.5
107.06092	3.6
108.08118	1.0
109.06397	0.9
110.07170	76.2
111.05560	1.8
111.06849	1.8
111.07510	10.9
112.08707	3.0
113.00821	0.7
115.02441	9.5
116.07086	0.7
116.98607	1.3
117.03999	1.1
118.03528	1.3
119.01920	22.1
119.06104	0.8
120.02073	0.8
121.07637	1.2
122.07171	0.9
123.09246	0.8
125.01046	0.6
126.98772	0.9
127.08681	1.2
128.00201	0.9
128.98613	1.0
129.03987	3.0
129.46858	0.6
130.03488	0.7
131.01910	3.1
131.06049	1.2
132.05070	1.0
132.06839	0.7
133.03487	11.6
133.07649	3.8
134.07173	0.6
135.05110	0.8
136.06180	2.2
136.07579	1.6
137.02953	3.9
137.07941	2.0
138.05527	16.3
138.06619	1.3
138.07718	0.8
142.03525	2.1
143.01920	1.5
144.99823	2.5
145.01692	0.6
145.03471	1.6
146.01311	1.1
146.99654	1.4
147.01421	1.1
147.05058	2.5
148.04518	0.9
148.08658	1.5
149.03003	1.0
151.04491	0.7
154.03568	2.8
155.08148	1.0
156.05040	0.7
156.07713	9.2
156.98077	0.6
157.08075	2.9
158.01381	0.8
158.06554	0.9
159.01428	1.8
160.04564	2.0
161.02951	3.1
161.10799	0.9
168.99854	2.8
171.01405	1.4
172.04562	3.5
172.08217	1.8
173.02870	2.2
174.06313	0.7
174.99161	0.9
175.00885	1.1
176.02457	0.8
177.00890	0.7
177.02444	0.9
178.13524	0.9
179.11818	12.2
179.13474	0.8
182.02980	1.4
184.04572	0.8
185.02971	0.6
187.00873	6.9
188.11821	1.6
189.02423	3.1
189.10294	1.5
190.05615	1.5
190.09337	0.8
191.04111	1.5
193.00201	0.7
196.12041	2.6
196.99292	1.4
197.13031	0.6
199.00923	1.8
201.02391	1.8
205.01952	2.2
206.12869	8.1
208.10252	1.1
209.12880	4.1
210.02440	1.3
210.10022	0.9
212.04036	1.0
215.00404	5.7
217.01973	3.2
219.03395	1.9
224.13942	54.4
224.15636	2.2
225.12335	2.3
226.15479	1.7
228.03572	0.8
229.01865	1.2
233.01549	1.0
238.01952	2.0
245.09856	1.5
246.03697	0.9
247.03087	4.5
251.02338	1.2
252.11116	0.8
252.13063	2.8
252.15506	2.0
256.02975	2.9
263.10809	1.1
265.04065	2.0
270.04333	1.7
270.14459	100.0
279.55048	0.6
288.05225	0.8
288.14655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03959	2.8
55.01862	3.1
55.05512	19.3
57.03439	31.0
57.07067	6.0
62.34303	2.1
64.76641	2.4
65.55346	2.3
67.05507	76.7
69.01370	2.0
69.07076	28.8
70.48281	3.6
71.04991	8.8
71.08659	3.6
73.02888	2.3
79.05499	51.5
81.07056	100.0
83.05007	11.3
83.08633	19.3
85.06546	3.6
91.05480	31.9
93.07043	71.0
95.04964	7.7
95.08611	25.2
97.06533	15.5
97.10186	2.8
98.21342	2.5
99.08105	3.7
105.04502	3.6
105.07035	13.5
107.04959	2.2
107.08591	36.2
109.06515	3.2
109.10197	5.7
111.08082	9.0
117.07006	13.3
119.08599	4.5
121.10149	44.8
123.11685	7.2
131.08609	17.6
133.10146	15.4
135.08073	2.6
135.11705	14.0
149.09633	18.9
149.13242	35.0
151.11278	2.9
159.11696	22.0
167.14281	3.6
177.09088	10.9
177.12761	8.5
181.12189	3.3
195.12251	2.2
195.13786	15.8
209.11761	8.4
251.20065	3.0
269.14880	3.9
269.17438	58.1
269.22107	3.2
269.29340	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	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
53.03942	3.3
55.01855	3.0
55.05508	21.5
57.03436	28.5
57.07071	6.0
65.03947	3.0
65.96584	2.3
67.05168	4.5
67.05505	64.5
69.07066	34.4
70.41161	3.9
71.04989	7.3
71.08638	3.3
79.05495	46.4
81.03398	2.2
81.07060	100.0
83.04993	8.8
83.08633	20.4
85.06530	7.3
91.05486	28.8
93.07046	67.5
93.07622	3.9
95.04961	7.2
95.08613	28.9
97.06532	18.2
97.10162	4.4
98.20992	2.6
99.08089	5.1
105.04495	2.3
105.07079	12.1
107.08588	36.4
109.06528	3.6
109.10160	6.3
111.08090	8.6
111.11692	2.6
117.07043	10.1
119.08590	6.0
121.10155	20.0
123.11718	2.5
123.44196	2.6
127.07542	2.3
131.08553	16.6
133.10136	14.7
135.08040	3.2
135.11673	16.4
136.06186	3.5
143.08447	2.2
147.11708	3.0
149.09642	3.0
149.13263	41.3
151.11125	2.4
157.10170	2.4
159.11684	23.0
171.83633	2.4
177.12770	10.9
195.13864	12.2
203.51047	2.2
233.19228	2.4
269.12830	6.7
269.17404	44.0
269.22437	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03924	3.3
55.01869	2.9
55.05519	22.6
57.03437	29.6
57.07054	4.8
63.29795	2.0
65.03919	4.4
67.05505	85.5
69.07071	30.4
69.77547	13.1
71.04996	5.8
79.05052	3.4
79.05491	48.0
81.03404	2.7
81.07056	100.0
83.04977	13.2
83.08611	17.2
85.06541	4.6
85.94197	2.2
91.05473	30.8
93.06467	3.9
93.07046	74.7
95.04949	8.0
95.08610	29.7
97.06529	19.3
97.10151	3.2
98.21087	6.4
99.08063	5.3
105.07018	9.0
107.08593	35.6
109.06490	3.6
109.10136	5.8
111.08069	10.9
113.09611	2.6
117.07031	10.6
119.08554	4.3
121.10125	25.1
123.11684	5.4
125.38909	2.1
130.06499	4.7
131.08582	15.8
133.10150	11.7
135.11697	11.2
136.06145	2.1
137.06587	2.5
139.11166	2.6
149.13255	44.6
157.10104	4.6
159.11708	27.0
177.12785	11.9
181.77907	2.1
195.12210	2.3
195.13773	15.1
227.10611	2.5
269.17377	51.6
269.22400	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	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03932	3.1
55.01855	3.2
55.02105	1.1
55.05268	1.2
55.05515	22.0
57.03440	28.7
57.07079	5.8
67.05506	79.5
68.05809	1.3
69.03420	1.6
69.07068	31.0
70.06564	1.1
71.04994	6.8
71.08623	2.1
71.41865	1.0
72.27959	1.0
74.09704	1.2
79.05493	49.1
81.03415	1.9
81.07058	100.0
83.04988	10.2
83.08620	19.6
85.06545	6.9
91.05484	25.9
93.07047	70.6
95.04973	7.5
95.08607	29.5
95.09219	1.1
97.06528	17.5
97.10168	2.9
99.04461	1.1
99.08076	4.2
103.55550	1.1
105.06454	1.2
105.07037	11.8
107.04957	1.5
107.08600	36.2
109.06505	4.1
109.10188	7.0
110.07186	1.4
111.07442	1.2
111.08096	10.3
111.11690	1.2
113.09649	1.5
117.07025	13.4
119.08585	3.9
121.06489	1.7
121.10149	20.3
123.11690	4.4
127.07567	1.2
127.11168	1.3
129.37062	1.1
131.08562	15.4
133.10139	14.6
135.08078	1.9
135.11702	14.1
136.06204	1.6
136.64311	1.0
137.06551	1.3
139.07591	1.3
139.11171	1.4
149.09625	2.4
149.13264	36.5
150.59483	1.0
151.11221	2.9
159.11705	24.4
161.13222	2.4
167.14264	1.9
177.12784	13.2
179.14206	1.2
195.13815	17.0
209.73694	1.1
211.14777	2.6
213.14888	1.2
251.20166	1.4
257.93362	1.2
269.07993	1.4
269.10992	2.4
269.17444	59.9
269.29614	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
55.01856	3.8
55.05517	21.2
57.03442	30.4
57.07059	8.7
67.05175	4.1
67.05507	76.4
69.03403	3.4
69.07070	38.0
71.05000	6.0
71.08625	6.2
71.57382	5.5
74.87244	3.6
79.05505	57.2
81.07061	100.0
83.04980	14.2
83.08618	22.0
85.06525	8.0
91.05486	25.3
93.07051	74.7
93.35723	3.5
95.04958	8.2
95.08595	29.8
97.06525	17.5
99.08089	5.1
105.07043	15.4
107.08601	36.7
109.10149	10.7
111.08094	9.5
113.09623	3.7
117.07003	9.7
119.08590	5.2
121.10153	22.7
123.11681	5.8
129.07004	5.0
130.06558	3.9
131.08545	11.3
133.10132	11.6
135.11679	13.9
136.06126	4.5
145.10068	4.6
147.11644	3.5
149.13257	41.4
157.10092	4.4
159.11729	16.1
167.03368	12.3
173.13145	3.6
177.12767	8.4
195.13780	9.7
226.97813	3.1
251.20119	5.3
267.52307	3.2
269.17310	50.0
269.22620	8.7
270.15118	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03935	5.8
55.01862	2.8
55.05509	20.5
57.03438	34.9
57.07054	6.0
60.27132	1.2
62.84204	1.1
65.03932	4.5
67.05504	78.5
69.03416	1.6
69.06718	2.1
69.07068	32.5
70.06586	1.4
71.04985	7.8
71.05322	1.1
71.08626	1.8
71.58558	1.9
72.08137	1.5
73.02950	1.5
77.03898	1.6
79.05493	49.3
81.03395	5.0
81.03831	1.5
81.07055	100.0
83.04984	11.1
83.08614	20.2
85.06555	6.0
91.05474	28.3
93.07042	78.0
93.07913	1.8
95.04967	9.3
95.08601	29.9
95.70289	1.5
97.06525	16.6
97.10136	3.5
99.08083	4.9
105.07034	9.3
107.04946	2.4
107.08594	44.3
109.06512	4.6
109.10138	7.8
109.92252	1.5
110.07182	2.6
111.08053	9.2
111.11729	1.9
113.09640	1.9
117.07021	10.1
119.08574	5.1
121.06499	2.0
121.10149	24.9
123.11678	4.1
125.09616	2.0
131.08571	13.9
133.06429	1.4
133.10123	10.5
135.08038	3.3
135.11707	10.6
136.06168	3.1
137.06569	2.3
139.07533	1.6
139.11147	4.2
147.11705	3.2
149.09604	2.5
149.13257	52.3
151.11159	2.1
157.10101	2.2
159.11691	26.4
167.14261	1.7
171.11606	2.3
177.09181	2.7
177.12733	11.9
195.13815	13.0
199.14926	2.1
264.83749	1.3
269.13281	2.8
269.14166	2.1
269.17465	44.1
269.22528	5.8
270.20584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
52.57370	1.5
53.03940	2.0
55.01862	4.8
55.05516	19.6
57.03191	1.9
57.03438	27.3
57.07061	2.6
65.03942	4.2
67.05506	89.4
69.03425	2.9
69.07064	24.5
69.54543	1.8
69.83720	9.4
71.04977	7.7
73.02891	2.8
77.05057	2.0
78.16364	1.5
79.05060	2.5
79.05494	46.1
81.03401	2.9
81.07057	100.0
83.04977	11.9
83.08611	17.6
85.06527	5.5
91.05484	37.7
93.07047	76.3
95.04941	9.9
95.08606	27.8
96.08915	2.3
97.06535	27.9
97.10159	2.7
99.08099	8.0
105.07029	16.2
107.04948	2.3
107.08587	31.9
109.06475	3.8
109.10143	7.5
110.07144	3.0
111.08087	10.4
113.09655	1.7
117.07008	18.5
119.08552	4.7
121.06502	1.8
121.10148	14.7
123.11695	4.3
131.08566	23.2
133.10138	21.8
135.08057	4.1
135.11691	12.4
136.06195	4.3
136.07220	1.6
144.15630	1.8
147.11723	3.5
149.09653	4.7
149.13255	41.2
151.11169	5.9
154.57742	2.1
157.10112	2.8
159.11697	46.1
161.13242	4.7
162.39325	1.6
177.09003	3.1
177.12744	24.8
179.14299	4.2
195.13759	11.5
199.14774	2.1
248.07321	1.8
269.12836	5.2
269.17480	88.5
269.22559	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	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
53.03935	4.1
55.01865	3.8
55.05516	21.9
56.02941	1.3
57.03185	2.2
57.03437	24.6
57.07090	2.9
65.03944	3.0
67.05505	87.5
68.21507	1.2
69.03400	2.1
69.06725	1.8
69.07072	28.3
70.91808	3.2
71.04998	7.7
77.62225	1.3
78.34512	1.3
79.05492	54.0
81.03415	4.2
81.07058	100.0
83.04990	10.6
83.08621	19.4
85.06538	6.7
86.09694	5.7
91.05481	39.4
93.07046	73.4
95.04973	10.1
95.08610	28.9
97.06533	24.7
97.10183	1.9
99.04437	1.7
99.08083	5.8
105.07027	18.2
107.04986	1.4
107.08598	32.3
109.06503	5.3
109.10130	9.4
110.07168	1.6
111.08062	12.7
117.07001	18.9
119.08572	5.9
121.10159	13.4
123.08098	1.4
123.11700	4.1
131.08569	21.1
133.10136	20.2
135.08064	3.2
135.11696	17.0
144.09412	1.4
145.10178	1.4
147.11700	1.9
149.09610	2.1
149.13251	34.6
151.11188	5.7
154.34003	1.2
157.10190	1.8
159.11697	42.8
161.13255	4.9
171.11650	1.8
177.12761	22.2
179.14336	3.8
194.59209	1.3
195.13835	10.9
242.05734	4.6
269.07898	1.8
269.12857	4.5
269.17474	81.2
269.22348	3.3
270.05228	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.43682	0.7
53.03944	3.2
55.01867	4.3
55.05511	21.5
57.03439	29.7
57.07084	5.2
65.03961	2.1
67.05505	82.8
69.03429	1.1
69.07069	32.3
69.75536	4.9
71.04990	6.5
71.08627	2.5
73.02956	0.9
79.05496	44.5
80.83372	0.8
81.03414	2.0
81.07057	100.0
83.04984	9.7
83.08623	21.0
85.06545	6.7
91.05484	25.0
93.07046	70.8
95.04968	5.9
95.08606	27.0
95.09240	1.3
97.06532	16.4
97.10172	2.7
98.21313	2.0
99.08086	4.1
105.07032	9.4
107.08594	37.7
109.06499	3.6
109.10113	4.7
110.07153	1.2
111.08081	9.5
111.11729	1.1
113.06053	1.7
115.09000	0.8
117.07016	11.7
119.08579	5.2
121.06509	0.9
121.10147	20.1
123.08043	1.5
123.11706	3.1
125.09656	1.4
129.06949	1.4
131.08565	11.2
133.10124	12.9
135.08041	2.4
135.11699	11.3
136.06212	1.6
139.11188	1.8
145.10141	1.8
147.11668	2.2
149.13258	42.6
151.11172	1.7
153.09135	0.9
157.10187	1.9
159.11696	24.9
161.13261	2.9
167.14336	2.0
171.11655	1.7
172.71596	0.7
173.13255	1.6
177.12755	11.5
179.14294	1.4
185.13290	1.1
195.13820	11.4
199.14749	0.8
213.14723	1.2
213.16461	2.0
269.12817	2.1
269.17471	53.3
269.22607	6.6
270.17856	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03943	2.9
53.47696	0.8
55.01874	4.2
55.05265	1.4
55.05515	21.3
57.03437	36.1
57.07065	4.0
59.05003	0.9
62.29681	0.9
65.03926	2.5
67.05505	80.3
69.03442	0.8
69.07068	31.5
69.85476	1.9
69.85892	3.5
71.01327	0.9
71.05006	6.7
71.08616	1.3
72.08129	1.0
76.10036	0.9
79.05495	46.0
81.03419	1.9
81.07057	100.0
83.04980	11.0
83.08134	1.5
83.08618	18.2
85.06536	6.4
91.05481	23.6
93.07044	78.4
95.04977	5.9
95.08605	26.6
97.06535	15.7
97.10152	2.0
98.21256	2.7
99.08104	4.3
105.04494	0.9
105.07018	9.2
107.08594	40.1
109.06503	3.8
109.10161	4.5
110.07133	1.0
111.08081	9.6
111.11703	1.7
113.05962	1.0
113.09628	1.1
116.98494	1.0
117.07021	9.2
119.08610	4.7
121.06532	2.0
121.10141	24.6
123.08036	0.9
123.11687	3.1
125.09600	1.8
129.06989	1.1
131.08572	10.2
133.10118	9.0
135.08041	2.8
135.11693	14.3
136.06239	1.1
137.06538	1.4
139.11172	2.6
142.07802	1.0
143.08566	1.7
147.11717	3.1
149.09540	1.4
149.13260	51.4
151.11122	1.1
153.09073	1.1
157.10167	2.1
159.11697	25.1
159.13004	1.4
167.14317	1.4
171.11656	1.7
177.12747	10.1
183.35110	1.0
185.13278	1.7
187.14905	1.2
191.14302	1.6
195.13818	12.8
227.11836	1.4
269.12842	2.5
269.17477	46.2
269.22162	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	269.1021
Annotation	Botryolide C
Peak:m/z	Relative Intensity
53.03941	4.2
55.01865	11.3
55.05509	8.5
56.50011	1.2
57.03438	14.7
57.07088	1.4
59.04997	1.5
65.03929	3.9
66.44460	1.3
67.05508	15.2
68.99783	3.5
69.03423	3.2
69.07069	5.7
70.07031	5.7
71.01345	1.7
71.04983	2.0
73.02908	1.3
77.03941	2.8
79.05495	29.6
81.03420	4.0
81.07061	24.4
83.01347	4.8
83.04977	11.2
83.08608	3.4
84.08119	1.7
85.02902	2.1
86.09701	3.1
91.05482	44.0
93.03397	2.9
93.07047	17.4
95.01295	3.0
95.04966	14.6
95.08601	6.3
95.89597	1.1
97.02906	1.8
97.06532	4.9
99.00742	1.3
99.04451	2.4
99.08096	1.7
103.05454	10.5
105.03368	1.8
105.04487	1.3
105.07045	19.4
107.04961	18.9
107.08598	6.4
109.02895	2.3
109.06520	26.2
110.07163	2.3
111.04420	2.0
111.08131	2.2
115.05456	12.9
117.07025	22.9
119.04939	12.0
119.08601	7.2
120.08129	1.4
121.02824	3.4
121.06503	12.4
121.10160	1.9
123.00764	2.9
123.04438	3.1
123.08092	2.9
125.02399	3.5
125.05975	4.2
127.07647	1.6
128.06219	2.4
129.07039	3.0
131.04930	4.9
131.08554	3.4
133.02885	1.5
133.06500	8.4
133.10201	2.9
135.04414	14.2
135.08070	11.1
136.06232	3.1
137.02269	1.4
137.05930	22.6
139.07500	2.3
141.01817	2.0
145.06496	24.6
146.07274	1.8
147.04407	4.8
147.08031	7.0
149.05972	15.3
149.09482	1.7
149.13286	2.7
151.03915	2.6
151.07576	4.1
153.05501	5.2
155.03462	1.4
157.06468	1.5
159.04346	1.6
159.11668	2.8
161.05934	3.1
162.06755	1.8
163.03957	6.0
163.07545	39.5
165.05472	10.4
167.07129	2.1
173.05989	19.0
174.06772	2.3
175.04047	1.3
175.07536	3.9
177.05481	25.0
177.09167	1.5
177.12860	2.2
179.06989	3.7
181.05029	2.2
181.08551	2.2
183.06544	2.6
189.05489	3.1
191.07031	84.9
193.08615	1.5
195.06558	4.0
201.05478	16.5
205.08591	4.0
207.06683	1.7
209.08099	24.0
219.06517	58.5
223.09671	4.1
237.07579	32.7
251.09154	100.0
255.08640	58.0
269.04831	1.4
269.10239	13.2
269.17392	4.1
282.78766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
53.40806	1.5
54.14580	1.7
55.01870	7.9
55.05502	3.6
57.03432	11.8
58.76656	1.5
59.16193	1.5
65.03925	3.5
67.01870	1.5
67.05511	7.8
68.99806	1.5
69.03427	3.0
69.07057	2.9
70.06586	3.7
70.90879	4.9
71.04994	3.0
71.08551	1.3
72.08160	1.8
72.71019	1.7
73.02895	2.1
74.66436	1.5
77.93469	1.4
78.22138	1.5
79.05142	1.7
79.05500	21.9
81.03387	3.8
81.07057	14.8
83.01358	1.7
83.04965	3.2
83.08603	1.8
84.08141	2.8
85.02901	3.2
86.09686	2.3
90.16467	1.6
91.04958	3.1
91.05477	30.5
93.03402	5.6
93.07058	12.2
95.01305	4.7
95.04967	8.3
95.08595	4.3
97.02916	1.7
97.06507	2.1
99.04448	2.5
103.05464	5.8
105.03392	3.3
105.07034	17.2
107.04965	14.8
107.08583	7.0
109.02891	2.3
109.06515	14.9
110.03570	2.2
110.07185	11.0
111.04424	3.7
115.05447	11.2
117.07018	22.7
119.04193	1.9
119.04907	7.6
119.08546	9.3
120.08090	6.7
121.02835	2.2
121.06499	12.4
123.00783	6.0
123.04408	4.2
123.08016	3.4
129.06979	2.4
131.04921	4.1
131.05840	1.5
133.02853	2.0
133.06462	6.2
133.10092	2.0
135.03030	2.1
135.03430	1.9
135.04413	15.0
135.08040	8.5
136.05067	1.7
136.06140	3.2
137.05917	14.3
141.01796	3.4
145.02817	3.0
145.06491	26.2
146.07237	1.9
147.04402	4.1
147.08092	7.9
149.05992	10.6
151.03981	2.1
151.07521	3.1
152.05666	37.3
153.04039	3.7
153.05981	23.4
154.04431	2.4
156.07657	4.4
157.06509	2.5
159.04376	3.5
161.06004	3.9
161.09659	3.0
163.03938	4.0
163.07545	44.3
165.05455	17.4
173.05992	24.3
174.06706	4.1
175.07539	6.2
177.05470	25.5
179.06953	4.1
181.08569	2.5
183.06540	4.3
189.05721	2.1
191.07025	77.9
193.08569	2.7
195.06487	3.1
201.05470	17.6
205.08601	6.4
207.06674	1.7
209.08066	19.9
219.04384	2.9
219.06528	60.0
223.09575	5.3
227.81465	1.9
233.08162	3.1
237.07558	35.2
241.13298	1.8
251.09142	100.0
255.08601	9.5
269.10461	8.2
269.14212	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	269.102
Annotation	Botryolide C
Peak:m/z	Relative Intensity
53.03943	3.6
53.40806	1.5
54.14580	1.7
55.01870	7.9
55.05502	3.6
57.03432	11.8
58.76656	1.5
59.16193	1.5
65.03925	3.5
67.01870	1.5
67.05511	7.8
68.99806	1.5
69.03427	3.0
69.07057	2.9
70.06586	3.7
70.90879	4.9
71.04994	3.0
71.08551	1.3
72.08160	1.8
72.71019	1.7
73.02895	2.1
74.66436	1.5
77.93469	1.4
78.22138	1.5
79.05142	1.7
79.05500	21.9
81.03387	3.8
81.07057	14.8
83.01358	1.7
83.04965	3.2
83.08603	1.8
84.08141	2.8
85.02901	3.2
86.09686	2.3
90.16467	1.6
91.04958	3.1
91.05477	30.5
93.03402	5.6
93.07058	12.2
95.01305	4.7
95.04967	8.3
95.08595	4.3
97.02916	1.7
97.06507	2.1
99.04448	2.5
103.05464	5.8
105.03392	3.3
105.07034	17.2
107.04965	14.8
107.08583	7.0
109.02891	2.3
109.06515	14.9
110.03570	2.2
110.07185	11.0
111.04424	3.7
115.05447	11.2
117.07018	22.7
119.04193	1.9
119.04907	7.6
119.08546	9.3
120.08090	6.7
121.02835	2.2
121.06499	12.4
123.00783	6.0
123.04408	4.2
123.08016	3.4
129.06979	2.4
131.04921	4.1
131.05840	1.5
133.02853	2.0
133.06462	6.2
133.10092	2.0
135.03030	2.1
135.03430	1.9
135.04413	15.0
135.08040	8.5
136.05067	1.7
136.06140	3.2
137.05917	14.3
141.01796	3.4
145.02817	3.0
145.06491	26.2
146.07237	1.9
147.04402	4.1
147.08092	7.9
149.05992	10.6
151.03981	2.1
151.07521	3.1
152.05666	37.3
153.04039	3.7
153.05981	23.4
154.04431	2.4
156.07657	4.4
157.06509	2.5
159.04376	3.5
161.06004	3.9
161.09659	3.0
163.03938	4.0
163.07545	44.3
165.05455	17.4
173.05992	24.3
174.06706	4.1
175.07539	6.2
177.05470	25.5
179.06953	4.1
181.08569	2.5
183.06540	4.3
189.05721	2.1
191.07025	77.9
193.08569	2.7
195.06487	3.1
201.05470	17.6
205.08601	6.4
207.06674	1.7
209.08066	19.9
219.04384	2.9
219.06528	60.0
223.09575	5.3
227.81465	1.9
233.08162	3.1
237.07558	35.2
241.13298	1.8
251.09142	100.0
255.08601	9.5
269.10461	8.2
269.14212	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	267.1956
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
54.26765	2.5
55.05526	15.7
57.03433	7.2
57.07071	4.8
65.03951	2.4
67.05169	3.4
67.05508	44.9
69.07072	33.7
70.09774	10.9
71.04976	4.8
71.08636	100.0
79.05491	19.6
81.03432	18.0
81.07057	31.7
83.04987	4.9
83.08632	14.4
85.06540	3.2
85.10194	2.5
91.05486	25.9
93.07051	21.6
95.04964	7.4
95.08624	23.0
97.06535	11.6
98.20726	3.2
99.08099	88.1
99.08746	5.2
105.03387	8.3
105.07015	9.5
107.04966	15.4
107.08577	13.6
109.06522	7.4
109.10168	28.2
111.08081	4.5
113.36181	2.7
113.75727	2.3
116.07874	2.4
119.08607	12.5
121.10152	11.9
129.07002	3.4
131.08534	2.9
133.10165	16.4
135.08075	7.3
135.11703	4.4
136.06172	5.0
137.09587	3.5
139.11121	2.5
143.07053	16.6
143.08517	4.5
145.10112	7.4
147.11682	11.7
149.06010	12.2
149.09627	25.0
151.07538	5.2
151.11165	27.9
155.08536	3.1
157.10149	4.6
161.08199	4.5
161.09605	7.4
167.10767	3.8
169.10124	2.7
175.11075	3.3
181.10057	2.5
185.13203	4.7
193.12271	4.2
203.17970	5.0
207.11765	3.0
211.88286	2.5
213.16351	4.4
223.14940	4.8
231.13795	7.3
231.17473	9.9
249.16423	3.7
249.18556	19.8
267.17545	13.9
267.19754	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	267.134
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
56.05036	20.8
57.03440	3.3
58.06603	4.0
62.64453	0.6
63.47466	0.6
70.06606	0.8
70.13439	2.5
74.06082	100.0
75.04504	0.8
79.05505	0.6
84.04502	12.6
84.08144	0.9
89.68241	0.7
91.05490	2.2
93.07032	1.9
98.20916	1.1
98.21471	0.8
101.07136	1.3
102.05523	0.7
103.05458	3.6
108.05161	0.6
120.04501	0.9
120.08110	61.1
121.06512	28.9
129.10234	0.8
130.05002	4.1
131.04959	1.8
132.08090	1.0
136.06201	6.9
138.09163	4.6
139.40923	0.7
146.05997	0.7
149.05959	1.4
151.07573	1.3
152.05743	1.8
153.06039	1.2
158.09727	2.0
166.08646	43.7
176.10699	1.3
177.10318	0.8
203.11780	1.7
221.12843	9.4
249.12337	3.6
250.10655	5.2
267.13409	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	266.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
54.03476	1.2
55.05511	3.2
56.42156	0.6
57.03438	0.7
57.07079	0.8
59.04996	1.2
60.04511	0.8
61.02929	1.4
66.67508	0.6
67.05508	2.5
68.05045	0.8
69.07073	2.6
70.02966	0.7
70.06600	2.2
71.04990	2.0
71.56961	0.9
72.08162	1.3
77.39780	0.6
77.74305	0.7
79.05498	7.7
80.05018	1.9
81.03419	2.4
81.04544	0.6
81.07050	4.6
82.06565	1.5
83.25504	0.6
84.04512	0.8
84.08148	3.8
86.00661	0.8
86.09695	2.2
88.03992	1.9
91.05476	3.1
92.05022	1.2
93.07050	13.4
94.04062	1.2
94.06573	1.0
95.08618	2.3
100.03970	3.3
100.11270	1.1
101.25305	0.7
103.04047	0.7
105.07044	2.8
106.06560	0.9
107.08585	5.8
108.04498	0.7
108.08109	1.5
109.02878	7.0
110.07202	0.7
112.07534	0.8
114.05560	0.9
115.56128	0.6
117.03377	1.9
117.07061	0.7
118.06503	0.6
119.03571	2.3
119.07290	0.7
119.08595	1.9
120.08150	1.6
121.10139	0.9
122.06003	0.8
122.09650	2.2
124.02155	0.7
128.10725	2.1
129.10236	1.9
132.08171	0.9
133.04805	1.0
133.10153	0.9
134.09674	2.4
135.11691	9.5
135.25369	0.6
136.06190	100.0
137.04594	2.6
138.05524	0.8
138.09174	0.7
145.02840	3.3
146.06012	2.3
146.09642	0.6
147.06342	0.9
148.02184	1.4
148.11183	1.5
149.02510	2.6
149.13313	0.6
150.05562	1.0
150.12732	1.1
154.08685	1.2
161.13210	0.8
166.08617	1.7
168.06523	0.8
176.01646	0.7
176.14371	9.5
177.01993	2.7
177.05435	5.1
178.08615	1.6
178.15869	1.2
179.03404	1.1
179.14392	1.0
180.10181	0.9
192.06564	0.8
192.10243	1.5
220.13347	1.6
222.14893	78.8
224.16455	12.2
234.13472	18.2
238.07164	1.6
248.12642	0.6
266.06750	2.3
266.16168	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	266.018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88706	5.9
56.96586	6.9
60.08161	11.3
61.02919	12.3
64.75539	7.3
69.03405	7.8
69.25365	6.7
69.94139	14.6
69.94562	26.2
70.06624	7.9
72.08128	6.3
78.95661	11.0
84.83994	6.6
85.02895	8.7
87.04468	20.2
91.03983	10.9
94.93029	9.0
97.02882	10.9
98.06065	9.7
98.21154	17.7
99.04400	8.0
104.10751	100.0
119.01836	16.5
127.03970	11.1
133.03465	12.2
134.03273	91.8
136.94078	8.7
147.04422	8.2
151.04547	8.3
160.96182	11.3
160.97531	6.8
163.02753	7.8
173.02989	7.5
248.11354	12.6
262.89468	6.6
265.98462	9.3
266.01877	23.6
266.07498	31.2
266.12735	12.6
266.15994	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2526
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03947	3.5
55.05512	48.5
57.03415	2.8
57.06819	1.8
57.07074	22.4
65.03931	1.4
67.05507	56.2
69.07067	71.4
70.18488	3.4
70.18882	3.2
71.04988	4.0
71.08636	12.7
79.05494	28.4
81.07056	64.7
83.04979	3.8
83.08618	52.2
85.06537	5.6
85.10178	5.8
91.05480	4.7
91.09063	1.4
93.07048	32.6
95.08611	61.5
97.06532	19.8
97.10175	33.8
98.21130	3.7
99.08089	3.3
101.67029	1.7
105.07037	2.5
107.08596	23.8
108.05775	1.4
108.22211	1.4
109.10153	30.2
111.08081	12.5
111.11727	10.8
121.10145	51.1
122.07151	8.9
123.08085	1.5
123.11710	12.2
125.05989	3.4
125.09631	5.2
125.13243	3.2
129.06813	1.6
131.08537	1.5
135.11691	39.4
137.13242	3.7
139.11159	4.1
139.90379	1.5
144.04839	1.9
145.10149	2.2
149.13261	16.9
151.14807	6.4
153.12787	1.6
155.14389	2.3
163.14882	4.7
165.16391	6.0
177.16400	3.8
183.11739	2.1
191.17992	2.1
217.20399	1.4
217.89236	1.6
221.52313	1.3
247.24216	39.4
265.14227	2.9
265.25275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2163
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03939	1.7
55.05508	10.0
57.07057	2.6
58.09529	0.9
65.03928	2.6
67.05505	100.0
69.03413	1.3
69.07069	10.1
71.57210	1.2
79.05492	13.5
81.04521	1.1
81.07057	99.0
83.04983	1.6
83.08611	4.0
85.06522	4.9
91.05490	5.1
93.07045	12.6
95.04969	1.6
95.08606	89.9
97.06510	2.9
97.10168	2.4
105.07031	2.9
107.08611	8.6
109.02926	1.1
109.06512	2.3
109.10156	70.2
111.08106	1.0
117.07040	1.1
119.08572	3.9
121.06516	1.0
121.10163	7.3
122.07153	14.1
123.11718	30.6
131.08565	3.6
133.10118	3.7
135.08032	1.3
135.11703	4.9
137.09578	2.3
137.13222	5.7
139.11157	1.5
144.04776	4.1
145.10091	1.9
147.11679	4.6
148.07521	1.2
149.09631	1.9
149.13269	5.0
159.11722	3.5
161.13322	1.2
163.11191	2.3
170.95587	1.1
173.13223	2.3
177.12804	1.3
187.14728	1.3
191.14296	1.8
195.13707	2.5
209.15356	3.2
219.21091	1.4
229.19540	2.0
247.20520	5.1
265.18509	2.5
265.21640	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	265.2163
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
50.01896	2.1
53.03953	3.2
55.05518	27.2
57.07087	12.4
67.05505	100.0
69.07069	38.1
70.88471	2.3
71.08636	4.3
71.58108	3.8
71.58526	3.1
79.05492	23.3
81.07059	98.4
81.74050	2.3
83.08624	22.9
85.06559	5.8
91.05473	7.2
93.07045	24.9
95.08607	76.7
97.06520	5.1
97.10167	20.5
105.07036	3.5
107.08592	17.0
109.10160	50.4
111.08095	4.6
111.11727	5.0
117.07018	4.9
119.08576	5.2
121.10148	20.7
122.07176	4.7
123.11705	28.9
125.09702	3.4
131.08553	8.7
133.10168	5.4
135.08031	3.9
135.11713	20.2
137.13255	6.7
139.11235	3.6
143.70168	2.9
145.10085	3.3
149.09557	4.3
149.13269	8.8
153.12717	2.7
159.11737	4.2
163.11162	4.0
173.13316	3.1
177.12776	4.1
191.17982	3.7
196.96582	3.1
215.17981	8.3
233.19025	7.0
247.24239	9.5
265.11038	3.0
265.13937	4.3
265.19254	3.3
265.21814	17.5
265.25229	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	265.2162
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03927	1.4
55.01871	1.7
55.05515	12.3
56.68014	0.9
57.03419	1.4
57.07066	2.3
59.05006	1.1
65.03938	3.8
67.05505	100.0
69.03429	1.2
69.07066	14.3
71.04987	2.1
71.08656	0.9
71.58058	1.3
73.06551	1.1
79.05057	1.1
79.05493	17.3
81.03403	2.4
81.04535	2.2
81.07059	93.4
81.74882	0.8
83.04972	2.9
83.08625	5.1
85.06573	4.4
91.05479	8.9
93.07054	15.7
95.04973	4.7
95.08609	74.4
96.08955	0.9
97.06518	4.6
97.10171	2.6
105.07042	7.4
107.04968	1.7
107.08588	14.9
109.06505	3.5
109.10159	50.3
111.08118	1.9
111.11732	1.2
113.06036	1.2
115.07540	0.9
117.07020	3.2
119.08575	7.9
121.06487	1.8
121.10137	11.2
121.86081	0.8
122.07156	16.7
123.08084	3.1
123.11710	25.7
125.09615	1.2
129.07018	1.4
131.08568	5.1
133.06523	1.0
133.10107	5.4
135.08040	3.6
135.11702	7.0
136.06120	1.3
137.05986	1.0
137.09622	1.9
137.13235	6.6
139.07486	1.2
139.11282	0.9
143.07040	1.2
144.04776	3.7
145.06467	1.1
145.10123	7.7
147.08095	1.3
147.11697	4.6
149.09589	5.7
149.13292	4.6
151.11223	1.9
151.14804	1.7
157.10103	1.0
159.08078	1.7
159.11702	5.0
161.13261	1.6
163.07596	1.0
163.11165	3.7
163.14836	1.9
165.12756	0.8
167.10703	1.6
168.02202	0.9
169.10236	1.4
173.13295	4.4
177.12778	1.4
181.12274	1.2
187.14841	1.3
191.10596	1.8
191.14348	1.2
195.13794	3.2
195.93803	0.9
201.16376	2.1
205.15887	1.0
205.19525	1.1
209.15407	3.3
219.17459	1.9
219.21169	1.4
223.16919	2.0
229.12288	1.4
229.15915	2.3
229.19565	2.4
247.16995	7.8
247.20499	5.0
265.14285	3.5
265.18115	7.6
265.21664	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.18
Annotation	Speciosin K
Peak:m/z	Relative Intensity
50.61807	1.8
52.83264	1.9
52.87426	1.8
53.03938	8.1
55.01626	2.0
55.01873	24.2
55.05509	27.2
57.03424	3.6
57.07063	4.4
60.26849	2.0
62.64628	2.3
63.91369	1.7
65.03941	3.2
67.05505	62.0
68.05023	3.6
69.03419	4.0
69.05807	13.0
69.07072	47.8
70.06552	7.5
70.06947	3.8
71.04975	9.1
73.06551	3.2
76.27833	1.7
79.05069	3.9
79.05495	66.8
81.03423	14.3
81.07057	72.9
83.04979	9.7
83.08624	22.1
85.06525	4.1
86.00644	3.5
89.04241	2.1
90.05556	29.3
91.05476	48.1
93.07049	57.3
95.04969	26.9
95.08604	43.1
97.02887	4.2
97.06538	32.1
98.21482	2.3
99.08086	8.6
100.02147	2.6
104.56587	1.8
105.06383	2.9
105.07037	35.4
107.04952	22.3
107.08591	57.7
109.02873	3.1
109.06515	22.5
109.10156	17.7
111.04454	4.9
111.08064	5.7
115.05428	4.5
116.04565	2.8
116.05319	40.9
116.06149	3.3
117.03687	8.2
117.07011	20.9
119.08575	29.0
121.06519	13.1
121.10146	22.0
122.07123	10.1
123.08055	17.8
123.11708	3.9
125.05981	3.4
125.09627	9.6
129.06995	7.0
130.07709	2.3
131.08566	37.4
133.06496	5.3
133.10141	28.6
135.07100	3.1
135.08063	41.5
135.11664	8.7
137.09566	15.3
139.07515	2.3
143.07016	13.4
143.08549	7.1
144.04752	3.3
145.06482	5.8
145.10139	39.8
147.08049	4.6
147.11679	8.4
148.02478	2.5
149.09619	52.0
151.07539	4.0
151.11162	11.6
153.09076	8.7
155.08476	2.9
157.10141	4.0
159.08041	5.8
159.11673	15.1
161.09642	7.4
161.13268	3.4
163.07556	4.2
163.11157	17.5
165.09166	9.2
169.10100	10.3
173.09607	7.9
173.13271	5.4
175.11171	2.8
176.02010	3.4
177.09091	4.1
177.12735	3.7
179.10606	2.1
183.11694	3.7
185.13248	7.8
187.11273	10.4
187.14804	8.5
191.10674	3.6
191.14386	2.6
191.17926	2.8
201.16394	31.0
203.14302	2.2
205.15875	4.2
211.14838	8.2
219.17400	27.4
229.15881	35.0
237.18465	5.4
247.16943	100.0
265.06711	12.3
265.14783	3.9
265.17984	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1798
Annotation	Speciosin K
Peak:m/z	Relative Intensity
52.30610	1.3
53.03943	5.7
55.01630	0.9
55.01871	15.0
55.05269	1.6
55.05511	25.4
57.03421	4.3
57.07062	1.5
58.91067	1.0
61.01152	1.7
65.03946	2.4
67.05504	39.5
68.05030	1.7
69.03421	4.4
69.05821	5.2
69.06721	1.6
69.07069	28.7
70.06592	100.0
70.39684	3.6
71.04987	5.1
71.06912	4.5
72.07249	1.5
79.05492	36.6
81.03419	10.5
81.07056	49.1
83.04979	6.8
83.08618	12.4
85.06542	2.4
86.00649	2.0
86.06073	9.2
87.04467	11.0
89.04891	1.1
90.05559	13.0
91.05480	25.2
93.07042	34.3
95.04969	17.2
95.08044	2.0
95.08607	25.6
97.02893	4.4
97.06526	15.3
97.10125	1.5
99.08075	6.0
100.02188	3.6
101.04246	8.7
102.01768	2.3
103.03831	9.7
104.07108	7.3
105.07035	21.5
107.04966	14.2
107.08587	29.3
109.02884	9.2
109.06532	12.4
109.10147	13.8
111.04430	3.6
111.08097	6.4
116.05321	17.7
116.06151	1.8
117.03699	2.1
117.07018	15.5
118.06876	5.7
119.08579	18.9
120.06441	6.5
121.06513	9.0
121.10139	15.9
122.07156	8.3
123.04419	1.7
123.08073	10.3
123.11721	3.2
125.05945	1.5
125.09619	4.6
126.72976	1.0
128.01663	4.1
129.06985	3.7
130.01251	3.2
130.06412	1.1
130.07799	1.3
131.08565	19.3
133.06471	4.2
133.10132	16.7
135.08054	29.9
135.11681	5.4
136.06233	2.0
137.09612	11.0
141.06953	2.6
143.07048	4.9
143.08537	3.5
144.04802	1.2
145.06439	4.0
145.10114	23.5
147.08026	2.8
147.11693	4.2
148.02411	1.8
149.09621	34.7
149.13171	1.0
151.07552	2.6
151.11159	8.3
153.09109	4.4
155.08548	2.9
157.10068	2.3
159.08061	3.6
159.11684	9.4
161.08202	1.7
161.09602	4.9
161.13206	1.7
163.07503	3.8
163.11172	12.6
165.09097	5.8
167.10638	2.0
169.10150	4.9
173.09581	2.9
173.13235	3.8
175.11172	1.9
175.14851	1.7
177.09120	2.7
177.12659	2.3
177.16394	2.1
178.53648	1.1
183.11661	2.7
185.13235	4.7
187.11220	7.5
187.14865	5.5
191.17970	2.7
194.07144	1.0
195.99866	1.3
201.12721	1.9
201.16348	16.9
205.12189	1.4
205.15874	3.9
211.14867	7.3
219.17455	13.5
229.12256	2.4
229.15840	24.9
237.18555	2.9
247.16945	53.2
265.08640	16.4
265.11789	1.9
265.14819	2.8
265.17957	54.9
265.24475	3.1
275.49313	1.0
275.74435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.03936	3.6
55.01868	6.2
55.05513	16.0
57.03423	2.0
57.07059	3.5
61.44625	1.0
63.33721	1.1
65.03942	2.3
67.05507	40.3
69.03411	4.1
69.07072	53.5
70.17474	4.9
71.05010	6.0
73.06549	1.6
79.05049	2.0
79.05497	33.0
81.03398	2.9
81.07060	47.9
83.04987	14.2
83.08615	4.9
85.06561	7.5
91.04969	2.0
91.05485	31.5
93.07050	37.9
95.04975	15.7
95.08612	31.6
97.06539	9.3
98.21148	3.0
99.08089	2.2
103.05491	1.7
105.07028	38.3
107.04964	13.4
107.08598	23.8
109.06522	12.8
109.10158	15.5
111.08083	3.5
113.05985	1.9
117.07025	14.2
119.04926	1.4
119.08584	25.5
121.06506	11.7
121.10145	20.7
122.07167	11.3
123.04421	1.7
123.08075	8.0
123.11691	4.5
129.06990	6.2
130.06505	1.3
131.04962	1.4
131.08575	26.9
133.06424	2.0
133.10136	27.4
135.08080	8.8
135.11703	13.3
137.09622	6.1
141.06979	2.1
143.08536	6.8
144.04768	2.1
145.06503	3.6
145.09044	2.1
145.10141	37.8
147.08023	6.1
147.11707	10.7
149.09622	26.5
149.13210	3.6
151.11197	17.2
155.08524	3.6
157.10112	3.3
159.08069	3.1
159.11705	10.9
161.09685	6.3
161.13251	5.3
163.09842	2.3
163.11200	44.1
165.09113	2.2
169.10091	4.7
171.11659	3.4
172.98499	1.3
173.09650	8.6
173.13229	3.5
175.11224	2.8
175.14851	2.2
177.09195	1.9
177.12799	6.1
177.16353	4.6
179.10664	9.9
181.12299	1.3
183.11678	2.0
185.13252	3.5
187.11218	6.9
187.14833	6.8
189.12778	3.5
191.10696	10.2
191.17967	1.9
200.39536	1.3
201.12700	2.2
201.16403	19.1
203.14326	2.7
205.12173	3.8
207.13747	2.6
209.11707	4.1
211.14836	5.8
219.17438	38.0
221.15198	2.1
223.13179	1.9
229.12302	1.4
229.15881	17.4
237.18456	1.9
247.16956	62.1
265.17972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1798
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
51.87244	2.7
53.03930	9.8
55.01876	19.1
55.05262	2.9
55.05510	44.8
57.03423	5.0
57.07068	4.1
63.47749	2.5
65.03931	3.1
67.05164	3.8
67.05502	54.9
69.03423	6.6
69.06721	4.7
69.07070	58.9
69.07436	2.2
70.77351	5.2
70.77705	5.0
71.04978	8.9
71.08617	2.8
71.58176	2.6
75.25644	2.4
79.05493	72.0
81.03418	26.8
81.07059	96.8
83.04959	11.6
83.08207	3.2
83.08621	41.3
85.06524	7.1
88.85899	2.6
91.05487	52.3
93.07046	63.8
95.04968	37.2
95.08603	46.3
97.02859	3.4
97.06551	15.8
98.21193	5.3
99.08128	3.2
101.04243	3.4
104.71751	2.2
105.07032	31.7
107.04958	35.7
107.08617	26.6
109.02861	2.4
109.06530	34.7
109.10155	22.8
111.08043	12.8
114.35930	2.3
115.05466	3.4
117.07023	28.3
119.08574	28.6
121.06508	13.9
121.10175	22.1
122.07143	14.5
123.04478	3.9
123.08081	17.7
123.11725	4.2
125.09582	4.8
129.06970	7.5
131.08578	32.7
133.06488	6.1
133.10124	18.8
135.08051	51.1
135.11676	10.2
137.09605	20.7
143.07082	3.0
144.04771	3.9
145.06528	16.2
145.10135	27.2
147.08034	6.9
147.11679	7.3
149.09628	50.1
151.07552	5.5
151.11185	9.0
153.09087	5.5
157.10135	5.1
159.08105	3.7
159.11693	7.5
161.09541	9.5
163.07526	11.2
163.11172	27.1
165.09151	7.0
167.10628	4.5
169.10017	3.5
173.09599	5.8
173.13214	3.8
177.09097	9.3
177.12686	4.0
179.10675	4.7
185.13304	3.4
187.11115	3.0
187.14777	2.8
191.10680	4.8
201.16473	16.0
203.56915	2.8
205.12161	3.6
207.13799	2.6
209.11655	4.9
211.14842	6.0
219.17413	17.1
222.61555	2.5
229.15884	16.2
247.16957	55.6
265.17987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1798
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.03930	9.3
55.01867	25.6
55.05510	30.8
57.03425	5.3
65.03920	5.6
67.05500	62.1
69.07066	67.2
71.04974	7.1
71.15910	5.9
71.16255	7.2
73.06532	5.7
79.05491	88.2
81.03415	13.6
81.07055	80.6
81.97167	3.1
83.04981	8.6
83.08616	17.9
85.06541	6.9
91.04962	4.7
91.05479	59.4
93.07041	63.6
95.04964	25.6
95.08043	4.9
95.08607	57.7
97.06524	41.6
98.20935	3.9
99.08091	5.7
105.07028	46.3
107.04952	18.6
107.08592	100.0
109.06499	25.0
109.10143	19.0
111.08103	7.5
117.07015	24.4
119.08584	31.1
121.06482	9.5
121.10141	24.8
122.07148	13.9
123.08073	15.6
123.11735	3.8
125.05910	6.0
129.06995	11.3
131.08553	47.3
133.06462	4.5
133.10127	35.2
135.08057	29.1
135.11639	5.3
137.05917	4.1
137.09592	12.7
141.06998	6.3
143.07025	25.6
143.08525	6.2
144.04759	4.5
145.06488	4.7
145.10118	49.0
147.11670	11.8
149.09604	49.7
151.07536	7.5
151.11139	14.4
155.08549	5.6
157.10129	5.4
159.11647	18.2
161.08144	4.8
161.09555	7.4
163.11160	12.7
165.09146	5.3
169.10074	7.6
173.09625	4.0
173.13269	8.5
175.14784	3.6
177.09230	3.3
177.16281	3.9
183.11717	5.3
185.13243	7.4
187.11163	12.3
187.14812	7.1
195.10130	4.2
201.16403	46.4
205.12152	4.1
205.91444	3.7
211.14850	10.7
216.02119	3.5
219.17458	24.6
229.15871	31.1
247.16939	96.9
265.14087	3.6
265.14667	3.6
265.17993	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	Pallescensolide
Peak:m/z	Relative Intensity
53.03943	4.9
55.05511	14.7
65.03930	2.8
67.05510	28.8
69.06721	2.4
69.07071	35.9
71.04977	2.0
71.13964	3.5
73.06550	4.8
79.05497	71.2
81.03422	2.4
81.07062	26.2
83.04983	2.8
83.08598	2.3
84.64043	1.7
85.06540	2.7
85.59423	1.8
91.05481	27.4
93.07050	45.0
95.05000	5.6
95.08614	20.9
95.09538	2.1
97.06543	13.1
98.45361	1.8
105.07038	19.6
107.04967	19.5
107.08598	35.5
109.06492	3.1
109.10147	8.2
115.07561	3.1
117.07005	12.6
119.04934	1.8
119.08591	24.8
121.06534	2.1
121.10141	12.5
122.07179	11.5
123.08037	1.9
123.11722	5.8
125.06004	5.1
129.07022	4.6
131.08578	33.5
133.10124	23.6
135.11678	7.0
141.06934	2.8
141.09105	2.6
143.07040	30.8
144.04749	3.5
145.10126	20.6
147.08069	1.7
147.11655	2.0
149.09625	100.0
157.10130	2.0
159.11697	19.3
161.08153	9.6
161.09422	1.9
163.11122	2.1
165.09157	3.1
169.10149	2.2
173.13278	12.0
185.13271	7.2
187.11101	3.2
201.16385	52.2
201.90518	2.0
205.12299	1.7
211.14856	2.7
229.15916	20.3
247.16953	16.5
254.54520	2.0
265.14368	2.2
265.17896	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	265.1799
Annotation	Dehydrojuvabione
Peak:m/z	Relative Intensity
53.03949	18.3
54.45412	2.8
55.01863	11.1
55.05510	7.8
55.51152	2.8
58.77728	2.8
63.73819	2.6
67.05509	42.7
69.07071	100.0
69.07457	5.5
70.10305	9.7
71.05024	3.5
79.05500	44.3
81.03416	37.4
81.07059	40.0
83.04978	10.6
83.08636	6.6
85.06524	4.6
91.05481	28.8
93.07045	35.4
95.04974	20.9
95.08614	21.5
97.06554	18.2
98.20852	3.5
98.21408	4.3
104.05374	3.0
105.07042	21.3
107.04966	27.7
107.08603	31.8
109.06507	11.2
109.10169	8.5
109.97250	3.5
111.44945	2.7
117.06991	16.1
119.08611	8.2
121.06464	4.5
121.10133	14.8
122.07122	18.8
129.07040	3.9
131.08572	40.3
133.06483	16.9
133.10133	12.1
135.08081	16.9
137.09564	5.1
141.06999	3.7
144.04739	6.1
145.10136	9.5
149.09624	61.6
151.11205	13.2
153.00557	3.8
158.03278	4.6
159.08058	19.6
177.09134	12.5
185.13251	3.0
187.11249	4.1
195.10014	3.5
201.16443	5.6
219.17435	5.8
237.10344	2.9
247.16870	16.0
265.11856	5.9
265.18036	33.5
265.21738	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	265.1798
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03934	3.3
55.01855	5.6
55.05517	10.2
65.03936	3.4
67.05161	2.3
67.05501	31.0
68.52428	1.2
69.03419	1.9
69.07066	50.1
70.48216	3.7
71.04980	3.5
73.06546	5.3
73.56205	1.3
79.05492	53.3
81.03399	3.7
81.04546	2.0
81.07056	30.8
83.08605	4.3
85.06528	3.9
91.05481	35.1
93.07050	33.6
95.04950	6.2
95.08041	2.0
95.08606	24.2
97.06528	18.2
97.10170	1.4
98.21003	2.3
99.08096	1.4
103.05421	1.5
105.07032	33.7
107.04946	6.4
107.08592	100.0
109.06483	6.2
109.10168	8.6
111.08114	1.5
115.05474	1.4
115.07549	3.9
117.07004	9.1
119.06050	1.7
119.08578	17.4
121.06506	4.7
121.10133	11.1
122.07159	14.8
123.08061	1.6
123.11716	2.7
125.05988	2.9
125.09621	2.5
128.06268	2.2
129.07001	3.3
130.07787	1.5
131.08563	22.7
133.06519	2.2
133.10126	17.6
135.08041	5.6
135.11684	3.9
137.09592	4.5
139.62956	1.3
141.06964	1.6
143.07027	26.8
143.08604	3.2
144.04784	3.8
145.10123	26.8
147.08009	1.8
147.11656	6.6
149.09622	21.4
151.11203	2.8
157.10095	3.8
159.11681	10.8
161.08099	8.4
161.09502	2.5
163.11168	4.1
165.09116	1.6
169.10127	4.3
169.63867	1.2
173.09619	2.6
173.13242	6.1
175.11169	2.2
177.09175	2.1
182.11072	1.5
182.88652	1.4
183.11685	3.6
185.13254	4.0
187.11143	4.6
187.14841	3.3
191.10707	2.8
201.12758	1.4
201.16385	24.2
201.73949	1.4
205.12256	2.0
205.15855	1.4
211.14883	7.2
219.17435	2.3
229.15868	16.4
247.13145	2.7
247.16937	42.8
265.14255	3.7
265.17999	15.1
265.21616	2.9
265.25061	1.5
275.39786	1.4
282.43277	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	Speciosin K
Peak:m/z	Relative Intensity
52.23840	1.6
53.03939	4.7
55.01860	7.5
55.05511	16.1
57.03431	3.5
65.03929	2.5
67.05163	2.7
67.05505	35.1
69.03423	3.9
69.07068	14.0
70.09567	1.7
70.18548	3.6
70.18941	2.9
71.05017	3.6
73.56255	2.0
79.05493	40.8
81.03423	4.7
81.07058	100.0
83.04979	5.9
83.08617	6.9
85.02932	1.9
85.06541	4.8
91.05479	23.7
93.07040	30.2
95.04973	12.8
95.08607	42.0
97.06530	7.2
97.10139	2.3
98.20852	3.3
98.21413	2.4
99.08115	2.9
103.05523	2.0
105.07034	24.9
107.04971	7.4
107.08594	21.8
109.06517	26.6
109.10178	12.9
111.08073	4.7
113.06021	2.4
113.23909	1.7
115.05415	2.3
117.06994	11.3
119.08582	26.1
121.06491	7.7
121.10137	11.6
122.07177	10.1
123.04410	3.2
123.08067	22.5
123.11687	3.0
125.09664	2.9
129.07040	3.5
131.08594	13.6
133.06561	2.7
133.10133	9.1
135.08049	15.5
135.11679	4.0
137.09610	15.9
139.11183	1.7
141.06908	1.6
143.07091	2.1
143.08546	1.7
144.04817	3.5
145.06470	1.8
145.10135	16.2
147.08075	3.8
147.11714	3.6
149.09624	15.5
151.07552	16.4
151.11180	3.0
155.08563	2.8
159.11697	6.6
161.09608	2.0
163.11203	6.6
165.09065	2.1
169.10086	2.4
173.09671	2.3
173.13263	4.1
183.11826	1.6
185.13382	1.8
187.11237	5.4
187.14842	2.2
201.12822	2.1
201.16335	8.7
205.12180	2.8
211.14755	3.5
219.17426	7.6
229.15884	10.5
237.18445	2.2
243.92010	1.8
247.16898	31.6
265.17960	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	265.1548
Annotation	Val Phe
Peak:m/z	Relative Intensity
51.94250	0.3
53.03920	0.4
54.67304	0.3
55.05513	11.7
55.09583	0.3
56.05029	0.7
57.05819	1.2
59.71246	0.3
62.95192	0.3
63.23933	0.3
69.07083	0.3
69.97784	1.5
70.06603	0.6
72.08157	100.0
81.04579	0.3
81.07076	0.4
84.04520	0.5
84.08158	0.5
86.09717	1.2
87.14133	0.3
87.31506	0.3
91.05495	0.4
92.68415	0.3
103.05491	0.6
120.08105	14.7
122.07163	1.7
128.98759	0.3
129.10258	0.3
131.04959	0.4
136.06221	0.3
144.04840	0.4
149.06058	0.4
166.08650	10.2
192.06615	0.4
219.14957	0.7
243.43921	0.3
265.08554	0.4
265.15558	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	265.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13082	0.3
55.05495	0.5
60.04517	0.5
69.88687	1.3
70.06581	1.2
79.05466	0.3
81.04527	0.6
91.05493	0.4
91.52013	0.3
98.21280	1.0
101.04180	0.4
101.76419	0.3
103.05467	0.3
106.05013	0.7
119.03535	0.9
122.07153	2.8
130.06519	29.8
136.06180	100.0
137.04568	0.9
144.04761	0.7
148.06183	2.1
205.12320	0.3
254.21844	0.3
265.11880	0.8
265.14407	0.8
287.05548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03942	8.9
55.01866	8.6
55.05506	31.0
56.05016	4.9
57.03428	4.9
57.07072	6.4
65.03944	12.6
67.05499	31.4
69.03436	38.1
69.07059	12.6
70.06593	19.4
70.18073	9.0
70.18456	15.2
71.05003	8.0
72.08155	41.3
73.02909	15.6
73.50481	4.5
74.99083	4.4
75.67581	4.3
77.00629	9.3
79.05494	29.0
81.03413	16.9
81.04549	11.5
81.07061	30.2
82.06590	7.8
83.04954	11.0
83.08630	4.2
84.04510	5.4
84.08140	24.7
85.02901	4.8
86.09711	22.2
91.05481	65.2
93.03395	6.0
93.07045	52.2
95.04971	44.7
95.08603	29.2
96.08080	4.5
97.06540	6.2
98.21271	7.6
99.04448	4.5
99.26189	4.0
103.05499	8.6
105.07036	79.9
107.04922	7.8
107.08617	35.6
109.02872	48.3
109.06521	38.4
109.10149	13.7
111.04443	32.6
111.08083	11.4
113.05976	20.6
115.05459	7.1
117.03342	5.3
117.07019	23.0
119.01646	62.8
119.04948	7.7
119.08584	90.9
120.08113	30.9
121.02835	9.1
121.06501	48.3
121.10123	22.1
122.07146	100.0
123.08076	28.7
128.06230	8.0
129.06999	16.1
129.10225	10.5
130.07762	9.7
131.08554	52.2
133.06477	13.2
133.10124	22.8
135.04410	5.4
135.08057	91.3
135.11681	4.4
136.07568	5.7
137.05972	6.2
137.09644	16.4
138.05511	9.5
139.03897	12.3
139.07518	10.1
141.06996	12.5
142.07770	13.1
143.08559	15.0
144.04774	25.3
144.09325	11.6
145.02913	7.3
145.06493	18.5
145.10089	32.4
146.07199	6.7
147.04390	13.7
147.08064	49.5
147.09511	19.6
147.11714	17.8
149.06020	9.7
149.07159	9.8
149.09613	17.6
150.05515	10.3
151.06396	5.2
151.07526	6.4
152.05664	30.0
153.06982	4.6
155.08562	12.0
156.09325	12.1
157.10097	21.3
158.07257	24.3
158.10872	6.3
159.08078	51.4
159.11676	42.0
161.05930	5.4
161.09631	46.1
161.13257	6.5
163.07475	6.4
163.11189	5.4
164.07047	7.8
165.09109	37.6
165.59935	4.5
166.07286	19.6
167.07556	17.4
168.06659	21.5
168.09073	7.1
169.10126	4.5
171.08118	7.7
171.11708	11.3
172.08849	27.6
173.09583	24.5
173.13269	21.9
175.03995	10.7
175.07536	77.1
175.11121	38.8
183.11676	9.4
185.09598	8.8
187.11166	50.9
189.09119	10.3
189.12726	22.6
193.08595	18.4
193.10143	5.1
196.08832	9.3
199.11203	20.1
201.12759	40.9
203.10640	49.5
205.12288	9.6
211.11130	20.7
217.12236	26.9
219.06387	6.0
219.10017	5.1
219.13776	10.5
221.11685	7.5
229.12210	38.0
235.13315	7.5
247.13235	58.6
248.12697	5.7
265.08215	11.0
265.10571	17.8
265.14297	81.1
266.13867	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	265.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
53.82655	0.2
54.03481	0.8
55.05497	0.4
56.05045	0.5
56.96568	6.8
57.03442	0.2
61.01151	0.8
67.05505	0.3
69.03430	0.3
70.05971	0.7
70.06595	1.8
70.98127	0.3
72.08148	0.6
73.02917	0.6
74.06084	0.2
74.97645	0.2
80.05008	1.1
81.04543	13.4
82.06583	1.0
83.06132	0.2
83.97606	0.3
84.04501	1.5
84.08138	2.8
84.96033	0.2
85.02893	0.4
86.09702	0.9
88.99092	0.2
95.06107	0.4
97.02884	0.5
97.99197	0.8
98.06052	0.2
98.21027	0.6
98.21603	0.2
98.97597	2.1
100.99173	0.3
101.00900	0.9
102.05558	0.3
102.96888	0.5
103.00617	2.0
106.96546	0.5
109.99172	1.9
110.07169	0.8
110.97604	0.4
112.00744	0.3
112.08749	0.3
113.02975	1.0
115.00644	0.8
116.00215	0.7
116.07090	0.3
116.98631	1.5
117.02121	0.2
117.03707	0.3
119.01852	3.1
119.04957	0.5
120.02016	0.6
120.97823	0.2
121.01677	4.4
122.07155	100.0
123.07487	0.2
124.97630	0.4
126.03701	0.8
128.00209	2.5
128.98624	0.7
129.10229	0.6
130.01730	0.5
130.05019	0.3
131.00177	0.8
131.01921	0.4
133.01663	3.0
133.03410	0.5
134.99631	0.7
136.04280	0.5
136.06157	0.3
136.07617	0.3
137.02962	0.6
139.02696	0.4
140.00107	0.4
143.01880	0.6
144.04787	27.4
145.01605	4.3
145.03407	0.4
145.05054	0.2
146.01210	1.0
146.99681	0.6
147.03293	0.4
147.04411	1.1
149.01228	1.3
150.02231	0.3
151.02727	0.4
155.01254	0.4
155.99658	0.2
156.03348	0.3
156.98032	0.4
157.01637	1.5
158.01289	1.7
158.99658	0.5
159.03223	0.4
161.02972	1.4
161.04381	0.2
162.03122	0.6
163.02675	10.7
165.00648	0.4
166.01752	0.4
167.02289	0.5
168.03355	0.5
169.01744	0.2
173.02853	0.4
174.99150	0.4
175.02689	3.3
177.00958	1.4
177.02301	0.3
177.04164	0.5
181.00053	0.2
181.03702	0.3
184.02837	1.1
185.03262	0.2
186.04362	0.5
187.02737	0.9
187.04419	0.4
192.01665	0.3
193.03714	2.9
194.04976	0.3
195.05119	0.3
199.02733	0.3
201.13167	0.4
202.03853	0.4
203.02318	0.3
205.03699	1.7
209.02982	0.3
217.03891	0.6
219.01921	2.0
219.03871	0.4
221.03136	0.5
221.06070	0.3
223.01146	0.3
223.04794	0.6
225.00845	0.2
235.04878	0.5
237.03058	0.3
237.05443	2.0
241.96080	0.3
242.03299	0.3
243.01979	0.6
247.01254	0.9
247.04695	0.6
247.13599	0.3
255.06517	0.5
257.05157	0.2
261.03094	4.8
265.02457	0.4
265.05963	4.5
265.11011	1.3
265.14117	0.3
266.05807	0.4
275.29642	0.2
282.96585	0.4
283.06082	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05515	2.2
55.93521	1.0
56.05035	5.9
56.11933	1.0
56.96335	1.0
56.96574	13.0
58.99575	4.1
61.01154	56.0
64.41720	1.0
65.43855	0.9
67.05490	3.0
68.05014	4.7
69.07069	3.3
70.06599	8.1
71.57466	1.2
72.08183	2.3
79.05486	2.0
80.05026	8.3
81.03429	1.6
81.04547	13.5
81.07042	2.1
82.06575	1.1
84.04507	4.3
84.08145	9.2
85.01172	1.5
86.00653	2.4
86.09699	3.9
86.99048	2.2
88.02218	6.3
88.03987	3.5
91.05492	1.8
93.04504	1.0
94.06552	2.7
95.06103	5.0
95.08603	1.5
96.04497	32.0
96.06853	2.5
97.01109	1.1
97.06515	1.7
98.06053	1.7
98.21213	1.4
98.97570	4.0
100.02238	1.7
100.99149	2.9
101.04253	2.4
101.73900	1.0
105.00095	1.6
105.07021	1.3
107.04923	1.6
107.06109	1.4
107.08611	1.1
109.10165	1.4
110.07171	2.8
110.97543	1.7
112.02150	5.9
112.08698	0.9
113.01700	3.4
113.02971	1.6
114.03722	2.7
116.98558	1.3
119.01670	3.0
119.03294	1.9
119.05250	3.0
119.08562	1.2
120.01190	1.7
121.01739	1.1
121.10114	1.6
122.02756	2.3
122.07158	100.0
123.07990	2.4
126.03724	4.6
127.03239	3.8
127.04522	2.0
128.01622	3.0
128.05244	2.1
129.10222	2.6
130.03246	2.5
130.05035	1.7
131.00177	3.5
132.01175	2.3
134.02710	3.0
136.07535	1.9
137.06151	1.0
138.03726	2.3
144.04791	59.2
145.61319	1.0
146.99655	3.0
149.01221	13.3
150.07751	1.0
152.05676	2.7
153.04800	2.5
155.06374	1.6
159.02284	1.6
159.06773	1.8
159.07979	1.5
160.02502	7.1
160.03798	1.7
162.99216	1.3
163.02696	2.2
165.00568	1.8
167.02243	5.9
167.43089	1.0
169.03526	1.6
175.02740	1.7
178.03362	1.0
178.23711	1.2
182.02695	4.7
184.04254	1.8
187.11249	1.2
188.07051	2.9
199.05367	9.1
201.05257	1.2
201.06860	5.1
203.02312	1.4
208.99686	2.5
219.03632	1.7
222.97534	1.1
232.04552	3.1
247.01286	7.8
247.05704	3.1
248.06480	1.7
262.57520	1.1
265.02295	3.0
265.06784	10.3
265.11700	2.2
265.14688	4.7
266.10190	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	265.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50191	0.4
55.05499	3.6
55.16693	0.4
55.68896	0.4
56.05028	0.6
57.07071	0.6
58.99588	3.7
61.01147	0.6
67.05497	0.6
68.05037	1.0
68.99783	0.5
69.03427	0.5
69.07075	1.5
69.55524	3.3
70.06591	100.0
71.05022	0.7
71.06944	0.7
72.08157	3.9
74.00659	1.0
74.99065	1.3
76.02228	6.1
79.05499	1.3
81.03431	0.8
81.04544	1.3
81.07066	1.0
83.05000	0.7
83.06107	1.3
84.04506	4.1
84.08147	3.3
85.06516	0.5
86.09705	7.5
86.99054	2.2
91.05477	1.4
93.07067	1.5
95.08592	0.7
97.06487	0.6
98.21040	1.6
101.04253	4.2
105.00072	2.1
105.07063	1.0
107.08623	1.3
109.02895	1.4
110.07204	0.8
112.02207	0.5
112.08695	1.2
115.08708	0.7
116.05314	15.1
116.07048	0.9
117.03445	0.5
117.05754	0.5
117.07066	0.6
118.06583	1.0
119.04929	0.4
119.08604	0.9
120.01154	3.2
120.08097	6.7
121.10191	1.1
122.02717	7.3
122.07150	12.5
129.06912	0.4
129.10257	1.4
131.08577	0.9
133.06447	0.8
135.08049	1.0
136.06223	1.3
136.07599	0.6
143.08611	0.5
144.04767	3.4
145.10136	0.5
146.06039	0.8
147.04396	0.7
148.00536	0.6
148.07602	0.8
149.01273	0.4
149.09608	0.7
152.05724	1.2
159.08235	0.6
162.07843	0.6
163.11142	0.7
166.07355	0.5
166.08702	0.8
174.05600	1.1
175.03865	0.5
175.11960	0.6
186.63634	0.4
191.08713	0.5
192.06554	3.5
199.63046	1.1
201.12802	0.6
205.06596	0.6
205.08646	0.5
219.08324	0.5
219.10327	0.7
221.13588	0.5
222.06757	1.0
222.14922	0.5
229.12341	0.5
247.13351	0.9
256.17233	0.9
265.08981	2.5
265.11539	1.5
265.14471	2.4
265.25168	0.4
266.10312	1.9
285.01691	0.5
288.20377	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.0
57.03424	2.1
58.99569	3.9
60.04512	1.9
61.64035	1.1
67.05497	2.5
69.03422	2.3
69.07058	2.8
70.02930	3.6
70.06572	4.4
72.08153	7.7
73.02910	3.2
74.00651	4.9
79.05476	4.4
81.03413	2.3
81.04517	5.0
81.07042	3.3
84.04480	1.4
84.08128	5.4
86.00644	4.8
86.09695	5.0
86.99111	1.1
87.28005	1.3
88.03996	21.0
91.05450	3.6
93.07039	2.5
95.04924	1.9
95.08582	1.3
97.07647	2.5
98.07533	1.4
103.05502	1.7
104.05006	1.4
105.07014	2.7
106.06570	5.6
107.04942	1.5
107.08583	1.9
109.02853	2.7
109.06521	1.3
116.03431	1.6
116.04944	1.8
117.05745	5.2
117.07021	1.9
118.06512	4.4
119.01640	2.5
119.08556	1.7
120.01122	5.8
120.04453	5.0
120.08105	9.9
121.01212	2.8
121.08427	1.3
121.10180	1.8
122.07161	29.5
123.08055	1.4
128.10719	2.5
129.10194	3.6
130.06554	6.1
131.06017	1.5
131.08575	3.5
132.01161	13.6
132.04451	36.5
132.06779	6.4
133.07579	3.9
134.05995	3.2
135.08040	2.4
136.06186	2.6
143.06073	2.3
144.04684	10.0
145.05234	3.5
146.06010	49.9
148.02159	95.1
150.03711	9.2
157.07637	3.3
158.06020	8.5
158.08260	1.7
160.06342	9.7
161.07143	5.6
163.11203	1.7
166.07202	2.8
167.07545	3.6
171.05579	1.5
174.03641	2.0
175.13199	2.3
176.01656	100.0
178.03229	39.9
178.04558	0.8
185.07153	2.8
187.11174	1.3
191.06386	4.7
201.04752	4.7
201.06490	1.8
201.12727	2.6
202.03165	5.5
205.12215	2.7
219.05861	5.4
221.13673	2.5
222.14984	1.8
229.12186	1.9
235.84497	1.3
237.04565	2.0
237.06921	33.1
247.05353	6.7
247.13179	1.8
265.06396	88.5
265.08514	4.8
265.14108	7.6
265.25357	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1593
Annotation	(-)-Pyridoxatin
Peak:m/z	Relative Intensity
55.05499	0.6
57.07021	0.3
69.07068	0.4
70.06628	1.7
79.05492	0.6
81.07053	0.9
91.05478	1.5
91.87398	0.3
105.07044	1.1
108.08092	0.5
113.20468	0.3
117.07024	0.4
118.06568	2.6
119.08582	1.2
120.08102	0.5
130.06540	1.5
131.07300	0.9
131.08568	0.5
132.08069	1.7
133.08728	0.4
133.10167	0.5
134.09644	0.4
136.06183	2.1
144.08075	9.4
145.08844	0.8
146.09697	2.0
147.04405	1.3
149.04594	0.5
154.78636	0.3
158.09657	3.1
159.10452	1.7
160.11215	1.4
166.07262	2.7
167.05641	1.0
172.07671	0.5
172.11218	2.9
176.05687	0.7
176.07074	6.1
176.14348	3.7
188.07091	0.6
188.14319	0.5
190.08672	2.6
194.11813	0.7
202.08684	0.5
202.15915	31.4
204.10191	2.0
206.08141	0.6
216.13840	25.1
218.15515	0.8
220.09668	1.0
234.14894	32.2
236.16623	0.4
246.14941	3.7
254.96921	0.3
264.15958	100.0
265.16418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15401	0.7
52.80550	0.7
53.88979	0.7
55.01869	0.9
55.05479	0.7
56.96567	100.0
58.96963	0.9
64.76978	0.8
66.80454	0.7
70.06593	1.8
70.58066	0.7
71.41823	1.7
71.95239	3.1
72.08150	1.3
72.96051	4.8
81.18619	0.7
83.97615	2.5
84.04502	2.8
84.08134	1.1
98.97583	13.3
110.07161	1.0
114.05524	1.0
116.98637	8.5
130.05023	1.4
134.99701	3.6
142.04999	1.1
142.58279	0.8
144.96822	1.6
149.02785	1.0
150.07758	3.1
153.26413	0.8
163.03969	1.2
165.02209	2.5
167.03816	2.3
176.03853	14.9
177.02289	1.0
178.05403	12.8
179.00217	0.9
181.01660	2.4
183.03284	8.1
192.03296	2.2
194.04936	5.7
196.06456	8.6
197.01190	1.8
201.04350	6.5
202.10713	3.1
204.03329	6.8
208.02847	6.8
210.04367	2.3
219.05490	0.9
222.04382	78.1
223.04796	1.0
226.03862	5.0
237.66280	0.9
240.05449	61.1
245.05968	1.9
263.07227	1.0
264.05466	18.7
264.14484	2.8
267.40137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05518	13.7
57.03426	2.5
57.07078	12.1
65.03933	2.4
67.05509	85.7
69.03431	1.7
69.07072	19.9
71.04986	2.2
71.08627	7.3
71.57875	2.5
79.05502	23.9
81.07063	100.0
83.04996	2.4
83.08628	16.3
85.06568	3.7
85.10171	3.5
91.05492	19.2
93.07050	25.3
95.04950	2.6
95.08614	94.9
97.06531	11.2
97.10163	7.3
99.08080	5.6
105.07047	13.2
107.08603	13.6
109.06541	2.4
109.09458	2.6
109.10167	45.2
111.08081	4.9
111.11745	2.3
113.09613	2.5
119.08582	15.1
121.10169	20.2
123.08098	2.1
123.11731	21.9
127.11166	2.6
129.07079	1.7
131.08571	1.7
133.10136	16.4
133.92932	1.9
135.11713	8.4
137.09622	4.3
137.13269	9.0
141.12805	1.8
142.07802	1.8
147.11728	10.2
149.13284	8.4
151.14841	9.7
161.13228	10.6
163.14848	7.4
165.16385	7.2
175.14876	8.5
177.16386	3.5
179.17950	4.7
189.16385	2.8
193.10245	1.5
199.11273	1.9
207.11879	1.6
217.12238	3.8
245.11742	3.3
245.22713	31.7
248.15450	1.9
263.14590	3.4
263.23724	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.05312	0.8
53.03933	2.0
53.71346	0.8
55.05261	1.2
55.05513	17.6
56.30509	0.8
57.03427	1.2
57.06819	0.9
57.07082	12.5
64.51046	0.8
65.03926	2.2
67.05508	84.7
69.06722	1.3
69.07070	15.8
69.40042	5.3
69.40457	1.7
71.04984	2.1
71.08638	7.7
78.44994	0.7
79.05062	1.4
79.05497	21.7
81.07061	100.0
83.04971	2.7
83.08134	1.1
83.08620	15.6
85.06077	0.8
85.06512	4.1
85.10164	3.2
91.05482	18.6
93.07044	23.1
95.04955	2.4
95.08611	82.4
97.06536	7.5
97.10164	6.6
98.21442	1.6
99.08129	6.1
105.06380	1.1
105.07039	11.8
107.08597	14.0
109.06493	1.6
109.10162	39.9
111.08071	4.9
111.11700	2.1
113.09619	3.2
117.07063	0.9
119.08584	13.4
121.09309	1.0
121.10148	13.7
123.08080	2.8
123.11707	20.6
125.09592	1.8
131.08620	0.9
133.10144	14.7
135.11697	8.6
137.09601	1.7
137.13260	6.7
141.12749	2.2
145.10147	1.0
147.08087	0.8
147.11708	9.3
149.13248	8.2
151.14818	8.1
161.13278	11.1
163.14825	7.2
165.16364	7.4
175.14819	7.0
177.16420	2.6
179.17911	4.1
181.15892	2.2
189.16379	3.5
191.17827	0.9
199.11148	1.0
203.17943	1.2
207.17480	0.8
217.19449	1.4
219.11569	0.8
233.13304	1.3
240.45886	0.8
245.11716	1.3
245.22650	29.8
263.17935	3.0
263.23703	67.7
264.24142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03946	2.3
55.01854	1.5
55.05511	15.6
57.03432	1.7
57.07074	12.4
65.03931	2.2
65.46113	1.1
67.05505	83.0
69.03433	1.6
69.06715	1.6
69.07069	16.8
71.04986	2.2
71.08629	5.8
79.04461	0.9
79.05053	1.5
79.05494	22.1
80.05787	1.0
81.07057	100.0
82.07395	1.1
83.04977	2.3
83.08615	13.5
85.06549	4.7
85.10178	3.3
87.68073	0.9
91.05479	17.4
93.07046	24.7
94.07401	1.4
95.04948	2.6
95.08606	83.2
97.06515	9.6
97.10180	7.1
98.20705	2.3
98.21401	4.2
99.08107	4.6
101.00024	1.1
105.07041	11.8
107.08591	15.3
109.06495	1.8
109.10153	48.9
111.08090	5.3
113.09628	4.0
119.08584	11.7
121.10146	18.5
123.08049	3.4
123.11707	18.8
125.09628	1.1
127.11164	2.3
133.10123	16.0
135.11711	11.0
137.09610	2.5
137.13257	7.4
141.12755	2.0
145.10130	1.0
147.11679	11.5
149.13240	8.5
151.11215	1.6
151.14810	9.0
155.14284	1.0
161.13252	9.8
163.14819	8.1
165.12688	1.3
165.16396	10.3
175.09517	1.0
175.14850	7.5
179.18010	3.6
189.16406	3.2
199.11230	1.6
203.17911	1.0
217.12274	2.5
245.11690	2.0
245.22656	31.1
263.12781	1.5
263.17877	2.6
263.23703	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02338	1.1
53.03936	2.7
53.17417	0.9
55.01846	1.3
55.05268	1.2
55.05512	14.9
56.96551	1.3
57.03436	1.9
57.07078	12.3
65.03922	2.7
66.36494	1.3
67.05508	90.8
69.03403	1.7
69.06718	1.2
69.07076	18.9
69.40985	6.1
71.04987	2.6
71.08639	6.2
79.05499	21.6
81.07060	100.0
83.04958	2.6
83.08620	14.4
85.06530	3.5
85.10179	3.5
91.05485	18.5
93.07052	25.0
95.04984	1.9
95.08611	88.4
97.06540	6.9
97.10164	7.8
98.21029	4.3
98.21613	1.0
99.08090	7.5
104.05292	0.9
105.07032	15.7
107.08606	15.3
109.06519	2.2
109.10162	45.7
111.08082	6.1
111.11697	1.4
113.09637	2.8
119.08595	15.5
120.04453	2.3
121.06490	1.0
121.10143	17.7
122.34414	0.9
123.08067	2.3
123.11709	18.5
127.11195	1.9
129.07037	1.3
133.09221	1.5
133.10136	15.7
135.08025	1.7
135.11722	9.2
137.09554	1.7
137.13237	7.3
139.03900	1.5
141.12727	1.0
142.07738	2.3
143.08566	3.4
147.08093	1.5
147.11684	9.7
149.13261	10.5
151.11197	1.7
151.14835	8.6
153.12794	1.1
155.14308	1.3
156.09261	1.6
157.10120	4.9
159.07964	1.0
161.09634	1.4
161.13258	11.5
163.14841	8.9
165.12732	1.4
165.16405	10.0
167.14285	1.2
171.11734	1.7
171.84456	1.2
173.09561	1.0
175.14803	8.0
177.16452	2.0
179.17943	3.2
181.10069	1.2
181.15758	1.6
189.16434	3.9
193.10219	1.4
199.11151	1.5
206.10912	1.9
207.11652	2.4
217.12219	2.3
217.15898	1.4
217.19565	1.2
219.11690	1.6
220.12392	1.4
221.13200	3.7
233.13290	4.0
234.14093	1.4
234.90692	0.9
235.14853	1.7
245.11726	3.0
245.22653	29.7
248.15489	1.2
249.16269	1.3
263.12872	3.1
263.18060	15.2
263.23712	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2006
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03953	5.6
55.01868	3.2
55.05256	1.7
55.05511	21.6
57.03428	4.9
57.07062	2.5
61.60313	1.0
62.20351	1.0
65.03927	1.9
67.05505	31.2
67.05866	1.5
69.03419	1.7
69.07064	16.5
69.80672	6.4
71.04990	3.4
79.05495	74.6
81.03446	1.4
81.07055	39.2
83.04976	4.6
83.08627	8.6
85.06537	4.2
87.74151	1.0
91.05480	32.4
93.07043	100.0
95.04964	10.6
95.08607	36.7
95.09057	0.6
97.06528	3.4
97.10160	4.8
98.20736	2.1
98.21327	2.8
99.08083	3.2
103.05449	1.1
105.04507	1.2
105.07026	21.4
107.04985	1.3
107.08598	64.1
109.06510	6.3
109.10144	14.2
111.08076	3.0
117.06999	4.8
119.08592	20.1
121.06496	3.1
121.10144	82.4
123.04441	1.5
123.08053	3.5
123.11702	2.8
125.06032	1.2
125.09684	1.3
127.07565	1.8
129.06992	3.4
131.08560	10.3
133.10123	16.0
135.08070	4.9
135.11696	36.8
137.09590	2.3
139.11102	1.3
142.07797	1.7
143.08575	5.4
143.99367	4.3
145.10126	6.0
147.08037	3.2
147.11700	11.3
149.05968	1.3
149.09631	3.6
149.13264	13.7
151.11185	2.2
153.09090	1.2
155.08588	1.5
157.10152	4.4
159.11678	4.4
161.09714	2.6
161.13300	5.0
163.07559	1.9
163.11169	1.3
163.14822	2.3
171.11668	6.6
173.13280	6.3
175.11182	3.2
175.14841	1.9
181.12267	1.6
185.13258	2.7
189.12769	3.2
191.14310	4.8
193.12204	1.8
194.05107	1.6
199.11154	3.5
199.14830	2.5
203.14374	1.4
203.17961	1.6
207.13832	3.4
207.17459	1.5
217.12263	2.9
217.15836	2.1
221.15350	2.6
227.10760	1.1
227.17932	3.4
245.11719	4.7
245.15459	1.5
245.19069	7.1
263.12625	3.3
263.20078	89.2
263.24243	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	263.1643
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
52.74978	1.2
53.03949	2.9
55.01870	7.1
55.05522	7.3
57.03442	2.1
57.07071	1.7
58.63509	1.4
65.03922	1.9
67.05504	15.6
69.03429	2.6
69.07072	26.7
71.04979	4.6
71.57372	1.9
73.06546	2.4
79.05061	1.6
79.05495	27.1
81.03417	3.3
81.07057	32.7
83.04985	3.9
83.08626	1.5
91.05489	28.2
93.07043	22.8
95.04955	11.9
95.08610	12.1
97.06551	8.1
99.08086	2.1
100.48774	1.8
105.07030	19.4
107.04942	6.2
107.08599	12.5
107.94448	1.8
109.06513	8.0
109.10146	3.2
111.08073	2.3
113.06008	1.5
115.05430	2.0
117.07020	8.4
119.04939	3.2
119.07773	2.8
119.08585	31.7
121.06525	9.5
121.10116	7.3
123.04450	2.3
123.08085	9.8
125.05968	6.1
125.09607	2.3
128.06216	4.7
129.07013	15.7
131.08571	14.9
133.06494	5.4
133.10165	9.7
135.08061	5.9
135.11754	1.9
137.05940	2.5
137.09669	3.4
139.03944	1.7
141.09088	2.8
142.07768	3.2
143.07031	8.8
143.08559	18.3
145.06525	1.4
145.10120	9.5
147.08052	32.0
147.11700	3.5
149.09607	5.9
155.08586	1.8
156.09341	3.0
157.10118	16.2
159.08037	3.8
159.11755	2.7
161.08299	3.0
161.09618	9.9
161.13330	1.7
165.09122	8.9
171.11705	4.5
173.13235	1.7
175.07477	2.4
175.11136	4.5
175.12521	1.4
175.14801	3.0
177.09135	2.4
181.10173	2.3
183.11710	2.4
185.09642	2.8
185.13333	2.4
189.09096	3.1
189.12793	3.3
189.16426	3.1
199.11140	3.9
199.14836	23.3
201.12732	1.6
203.10709	3.9
205.12347	1.7
217.12282	5.2
217.15906	16.9
221.11658	4.0
227.10715	1.6
227.14305	6.0
245.11804	6.6
245.15375	17.0
263.12924	3.9
263.16434	100.0
264.16687	2.4
282.12518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1642
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03945	10.5
55.01875	20.4
55.05511	33.7
57.03437	13.9
57.07081	4.0
62.78769	2.4
65.03933	4.9
67.05505	46.9
68.99745	2.6
69.03419	8.7
69.07070	46.8
70.06588	6.9
70.23858	11.1
71.04996	12.7
73.06566	2.7
79.05495	87.7
81.03397	5.1
81.06572	5.0
81.07059	94.1
83.04969	10.2
83.08613	25.7
85.06538	8.5
91.05481	100.0
93.07050	70.8
95.04978	25.4
95.08611	38.7
97.06555	17.5
98.21079	6.2
103.05477	5.4
105.04493	3.9
105.06376	4.8
105.07037	66.5
106.34367	2.6
107.04961	26.2
107.08607	37.5
109.06525	28.6
109.10142	12.4
111.04449	5.7
111.08076	11.3
113.06007	5.6
115.05456	7.6
117.07020	32.6
119.04921	6.6
119.08588	67.3
119.42856	2.6
121.06506	41.2
121.10118	14.7
123.04426	5.8
123.08101	12.8
125.05975	8.7
125.09573	2.9
128.06239	16.1
129.07016	33.2
130.06541	4.3
130.07735	3.5
131.08583	51.5
133.06528	14.5
133.10132	27.2
135.08076	38.9
135.11696	5.7
137.05980	3.0
137.09604	4.4
139.07564	6.3
141.07005	6.0
142.07797	9.8
143.07022	11.4
143.08571	62.4
144.09457	2.5
145.06467	5.9
145.10121	23.7
147.08054	52.5
147.11723	4.0
149.09610	17.7
151.07550	4.7
155.08589	4.5
156.09369	4.3
157.06477	2.5
157.10141	29.4
159.08047	6.8
159.11707	4.1
161.06024	3.5
161.09630	32.3
161.13248	4.4
163.07538	7.1
163.11215	4.7
165.06985	4.4
165.09131	14.5
167.08562	8.8
171.08044	4.0
171.11702	16.6
173.09584	5.1
175.07637	3.2
175.09724	3.2
175.11169	9.1
181.10115	3.5
183.11734	7.8
185.09592	4.5
185.13245	7.8
189.09114	4.9
189.12726	9.5
195.10226	4.0
199.11169	5.1
199.14818	33.3
203.10645	6.8
203.14285	4.3
209.13260	9.8
217.12296	11.0
217.15889	13.9
221.11684	9.3
227.14368	21.1
245.11714	8.1
245.15370	34.1
257.95303	3.3
257.97983	2.6
263.10541	4.7
263.13162	4.2
263.16422	83.3
263.20279	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	263.1642
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
51.02369	1.8
53.03939	5.6
55.01627	1.1
55.01871	17.8
55.05512	14.0
55.53900	1.0
56.96550	2.2
57.03421	3.4
57.07060	1.9
59.04979	1.1
65.03924	2.9
67.05506	34.4
69.03132	1.0
69.03429	11.7
69.07069	49.1
70.03741	4.5
70.06599	5.3
71.04993	9.3
73.06555	6.1
79.05495	56.2
81.03423	12.3
81.07057	67.0
83.04993	7.4
83.08601	4.1
85.02874	3.1
85.06514	3.0
91.05482	51.6
93.07044	38.7
95.01308	1.9
95.04964	26.8
95.08604	25.1
97.05988	1.5
97.06538	17.2
98.20819	1.1
99.04445	2.3
99.08090	2.0
103.05425	3.9
105.03350	2.0
105.04471	1.2
105.07033	29.6
107.04951	15.6
107.08596	23.1
109.02855	1.4
109.06512	15.9
109.10146	7.1
111.04430	2.1
111.08083	2.9
112.03938	1.3
113.05994	2.1
115.05420	3.5
115.07510	2.0
117.03699	1.0
117.07020	19.2
119.04922	3.4
119.08582	62.8
120.08060	2.3
121.02864	1.7
121.05650	1.6
121.06509	21.9
121.10142	12.8
123.04425	6.0
123.07191	1.2
123.08069	16.8
123.11688	1.4
123.97924	1.0
125.06004	13.4
125.09629	2.8
127.07539	1.4
128.06194	4.8
129.07002	17.9
130.06488	2.7
130.07751	1.0
131.04858	1.3
131.08572	19.7
132.05682	1.2
133.06514	9.6
133.10135	15.5
134.07309	0.9
135.04405	2.0
135.08058	18.6
135.11696	3.1
137.05943	2.5
137.08658	1.4
137.09624	20.4
139.03899	4.8
139.07460	1.4
141.06964	3.1
141.09065	3.1
142.07813	5.2
143.07011	22.4
143.08542	22.3
145.06479	3.3
145.08992	1.5
145.10103	10.9
146.07280	1.3
147.04457	1.3
147.08049	47.5
147.11656	8.1
149.05956	2.5
149.09624	14.3
149.13380	1.0
151.07544	4.0
153.09074	1.3
155.08499	3.3
156.09326	3.4
157.06514	1.9
157.10129	22.7
158.09641	1.4
159.08043	5.7
159.11650	7.0
160.12308	1.0
161.05951	2.7
161.08104	4.4
161.09607	11.9
161.13190	5.1
163.07567	4.6
163.11140	2.8
165.06950	1.3
165.09125	26.6
169.10068	1.5
170.10889	1.0
171.08072	1.6
171.11720	10.6
173.09583	3.7
173.13261	7.4
175.07545	4.3
175.11203	6.3
175.14832	6.9
177.09076	7.5
179.10742	1.4
181.10085	2.3
183.10229	1.6
183.11636	4.7
184.08786	1.9
185.09589	4.1
185.13226	4.4
187.11058	1.5
189.09079	3.5
189.12703	6.5
189.16348	4.2
191.10678	1.6
193.08591	1.4
195.10173	3.1
199.03276	1.1
199.11189	8.0
199.14832	27.8
201.09111	1.2
201.12685	3.0
201.16452	1.5
201.20415	1.6
203.10672	5.4
203.14247	4.0
207.10155	2.0
209.13373	2.3
217.07890	1.7
217.12320	10.5
217.15863	25.9
219.13824	2.9
221.11682	8.8
227.10654	4.0
227.14229	10.4
235.13147	1.1
235.17004	1.1
237.08078	2.0
245.11688	10.9
245.15355	33.7
263.08649	3.1
263.12820	11.3
263.16403	100.0
264.16751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1391
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
55.45610	0.4
66.95953	0.4
70.06595	33.1
70.24858	1.2
71.04984	0.5
79.79059	0.4
86.09737	0.8
91.05508	0.9
93.07045	2.1
95.04994	0.6
98.06033	0.6
98.21075	1.1
103.05489	5.7
116.07098	80.6
117.65359	0.4
120.08113	100.0
136.07640	0.4
147.04539	0.6
163.01120	0.4
182.28868	0.5
198.96672	0.4
203.09259	0.6
245.13028	1.1
250.82190	0.4
263.11407	0.7
263.13916	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	263.1425
Annotation	H-Ile-Met-OH
Peak:m/z	Relative Intensity
53.03953	1.1
55.01873	0.9
55.05507	2.5
56.05035	4.8
56.96553	0.9
57.23533	0.5
60.04531	0.8
61.01147	2.8
67.05498	1.3
68.05026	2.2
69.03409	1.8
69.07074	1.3
69.95749	2.5
70.06596	8.0
71.05010	1.1
72.08153	1.4
74.06097	0.6
78.96766	1.1
79.05505	0.9
81.07061	1.2
82.05339	0.6
83.04977	1.9
83.06082	1.1
84.04501	1.9
84.08145	2.3
85.01143	1.1
85.02896	1.3
86.09703	100.0
87.02686	2.5
87.04451	0.5
87.10057	0.8
88.03995	0.8
91.05488	2.9
93.07041	1.6
95.04951	0.9
95.08625	0.8
96.04457	0.7
96.96022	0.5
97.06523	1.4
98.21278	1.0
101.04256	1.1
102.05548	1.0
104.05324	6.3
104.07108	6.6
105.07028	2.1
107.04957	1.7
107.08595	1.0
109.06474	1.0
109.07631	1.3
110.07198	1.5
112.02233	0.8
113.07147	0.7
116.05330	0.6
117.03710	4.5
117.07005	0.7
119.04940	1.8
119.05795	0.5
119.08590	1.8
120.08119	1.3
121.02852	0.8
121.06497	1.3
123.04449	1.8
123.08033	0.9
124.11208	0.9
128.06206	0.5
129.07040	1.4
129.10248	0.7
130.04996	2.1
130.06546	0.6
131.08546	0.8
133.03226	4.6
133.06458	1.5
133.10136	1.1
134.06329	0.8
134.09651	1.8
135.08035	1.3
136.07558	0.6
137.07085	0.6
139.03909	1.8
139.08691	1.5
142.07814	0.9
143.08511	1.5
145.06465	0.8
147.04413	7.2
147.06310	1.0
147.08061	1.9
149.06017	1.4
149.24940	0.5
150.05840	16.6
150.07019	1.1
155.08307	0.7
156.09332	1.6
157.10146	1.0
159.05754	0.7
159.08028	1.4
160.04294	2.3
161.05969	1.8
161.09613	1.6
163.07538	3.4
165.06746	1.2
167.02791	0.8
169.04321	2.2
169.13382	2.3
171.07988	0.9
171.11723	1.7
173.09592	1.1
175.07556	1.7
175.11192	1.7
183.07686	2.2
184.08682	0.9
187.09030	1.1
189.05585	1.3
189.07390	1.1
189.09026	0.6
189.12700	3.0
197.07497	0.6
199.05324	2.5
199.07039	0.6
199.11203	5.5
203.07037	0.9
203.10657	1.8
213.06911	1.6
215.03081	1.1
215.04895	0.9
215.13910	0.8
217.12074	5.6
217.13985	0.7
227.10786	1.7
231.07919	1.2
239.02179	0.8
245.11736	9.2
263.04788	2.9
263.10419	1.7
263.12796	3.1
263.14444	3.5
263.23682	0.7
264.12274	0.8
264.37210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
53.10975	0.8
54.56425	0.6
55.05497	2.2
56.05026	1.8
57.03426	1.2
58.99587	4.3
61.01141	2.2
65.03915	1.9
65.54665	0.8
66.49693	0.7
67.05486	1.6
68.05023	5.1
69.03419	2.2
69.05817	6.8
69.07069	2.5
70.06580	3.1
71.04987	1.3
71.56107	0.7
71.56547	0.7
74.99080	0.7
75.61740	0.8
81.07050	1.1
82.89408	0.7
83.04960	1.9
83.45354	0.7
84.04500	17.1
84.08132	1.6
84.27013	0.7
85.01128	10.9
85.02901	21.9
86.06013	1.0
86.09708	16.3
87.02233	0.6
87.02690	17.2
87.04459	1.3
88.03984	2.1
91.05453	2.5
93.04526	2.5
94.06526	0.7
95.01313	2.1
95.04997	0.8
95.08592	1.1
96.04484	1.1
97.06517	1.5
99.02676	3.0
100.02203	1.9
101.01724	8.3
101.02905	0.8
102.03750	1.0
102.05547	12.2
102.28790	0.6
102.45498	0.6
104.05301	0.7
105.07021	0.8
107.08576	1.1
109.10176	0.6
112.02187	4.3
112.03975	1.6
113.01717	2.3
113.02401	1.7
114.02511	1.5
114.03758	1.4
116.05313	8.8
117.03719	25.9
117.06965	1.2
118.06521	3.9
119.07330	3.3
119.08576	0.9
123.04423	1.0
124.02176	0.8
130.05000	100.0
133.10120	1.0
134.09651	88.1
137.07089	0.8
141.04773	1.6
142.05617	1.4
143.08539	1.3
147.02222	7.1
147.04410	3.0
147.08083	0.8
150.05887	1.2
151.03252	21.9
152.03978	0.8
153.04788	2.5
156.09352	1.8
159.02179	1.0
161.02985	2.0
161.13319	0.8
163.07532	2.3
169.04272	1.3
171.11674	1.8
175.11186	1.0
176.02002	5.2
183.07800	1.0
187.08995	1.0
189.09030	0.8
189.12790	2.0
197.03801	8.6
199.03566	6.0
199.05400	8.6
199.11189	3.7
200.06238	2.9
203.10657	1.2
213.06984	1.2
217.04677	4.9
217.12202	5.1
231.02534	0.9
245.04135	44.2
245.09532	1.5
245.11801	5.3
246.11221	2.7
263.05341	2.4
263.10318	1.5
263.14035	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	263.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
53.36111	0.7
55.05509	3.1
57.07072	1.6
57.28993	0.7
65.30480	0.7
65.51707	0.6
67.05501	4.0
69.03418	1.2
69.07061	2.2
69.91682	1.9
69.92073	1.5
70.06593	1.1
74.06075	0.7
79.05486	5.7
81.03397	0.7
81.07059	6.8
83.04984	2.2
83.08630	1.4
85.06548	0.8
88.07625	1.9
91.05463	5.4
93.07047	7.9
94.09289	0.7
95.04956	2.4
95.08605	4.5
97.06532	1.7
98.20945	1.5
98.21558	1.4
103.05495	1.4
103.71654	0.7
104.83301	0.7
105.07036	4.9
107.04975	1.4
107.08583	5.6
107.09075	0.6
109.06548	1.1
109.10174	1.9
115.05440	1.1
117.07040	1.7
119.04938	0.6
119.08565	5.4
121.06473	1.4
121.10127	4.1
121.81387	0.6
123.04475	1.0
123.08066	1.3
128.06219	1.7
129.07027	1.5
130.06532	100.0
131.07295	8.8
131.08453	1.6
132.04457	14.2
133.10132	2.5
135.08063	2.5
135.11687	1.9
139.03891	0.8
141.37608	0.8
141.53824	0.7
142.07758	0.8
143.08601	4.5
145.10167	1.4
147.08052	2.2
147.11674	1.6
156.09384	1.4
157.10144	2.2
159.08035	0.9
159.11717	1.0
161.09612	2.6
161.13313	1.0
169.10133	0.7
171.11691	2.6
171.41905	0.7
175.11198	1.4
181.10170	1.0
185.09615	0.9
189.09189	0.9
189.12782	1.7
199.11188	2.1
199.14879	1.2
203.10664	1.3
206.10907	0.8
207.11713	1.4
215.21970	3.7
217.10425	0.7
217.12228	4.1
217.15849	0.8
221.13377	1.3
227.10785	1.1
233.13452	0.7
235.12436	1.1
245.11760	4.2
245.15492	1.7
248.15775	1.0
263.12338	4.2
263.16486	7.4
263.18576	1.1
263.20163	3.0
263.24051	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	262.1437
Annotation	cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid
Peak:m/z	Relative Intensity
53.03944	1.4
54.06407	1.4
55.05497	6.0
57.03175	2.1
57.03437	22.5
57.07046	1.5
67.05490	4.2
69.07064	2.7
70.06586	4.3
71.58356	1.6
74.51122	1.4
79.05483	5.3
81.07035	3.0
84.08119	2.4
88.07621	2.8
90.55659	1.4
91.05487	8.5
93.07055	7.1
94.06545	4.4
97.06503	3.2
98.06832	1.7
102.09171	2.0
105.07023	5.5
106.06548	6.5
107.08589	2.5
117.03701	1.6
117.05743	3.9
117.07001	3.7
118.06542	10.1
119.08582	7.5
120.08090	5.6
123.68124	1.6
128.06242	1.9
129.07024	2.9
129.56003	1.4
130.06541	12.1
131.00554	1.3
131.07314	9.6
132.08070	10.4
133.08812	2.7
134.05991	4.0
134.09637	4.7
143.08624	2.8
144.08089	9.7
145.08888	14.8
145.10022	2.9
146.06029	12.6
146.09651	12.3
150.05508	1.4
152.07082	2.1
156.07980	1.9
157.10117	2.3
158.06027	3.0
158.09636	6.5
159.06818	2.5
159.10457	12.5
160.04283	2.7
160.07602	2.7
160.09863	2.2
160.11209	37.8
162.09126	6.2
162.12625	1.8
164.07056	17.1
170.09656	4.2
172.07570	1.8
172.11208	3.0
174.09146	4.7
174.12804	8.0
176.07062	5.9
177.07881	1.9
178.08797	2.1
178.12321	2.8
187.09888	1.6
188.10704	24.7
188.14287	2.0
190.08517	7.4
192.10167	6.3
192.13824	2.1
198.12750	1.6
199.74451	1.7
200.20093	6.3
202.08728	2.6
204.10153	2.8
206.11771	34.6
208.09758	3.3
211.98450	1.5
216.13840	42.6
218.15494	3.7
220.09695	9.3
233.19012	1.7
234.14873	3.2
244.13376	13.3
262.08572	3.2
262.14380	100.0
262.23773	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	262.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22557	0.6
51.18526	0.6
53.03935	0.7
54.57177	0.7
55.01854	1.4
55.05297	0.6
55.05514	7.1
55.34192	0.7
56.05021	2.4
58.99591	11.5
61.01148	1.2
64.16263	0.7
67.05485	2.1
69.07058	1.1
70.06590	3.7
70.24816	2.6
72.08134	1.0
73.01134	1.2
73.44621	0.7
74.00659	2.0
76.02230	2.0
79.05479	3.2
80.05009	1.2
81.07064	7.7
83.08631	4.9
84.08153	1.9
85.01121	8.5
86.00657	30.0
86.09689	1.0
86.99059	4.8
87.02692	7.7
88.02213	4.1
88.03982	2.2
93.07052	1.5
94.06590	0.7
95.08619	5.2
95.09135	0.8
97.01107	1.0
98.09699	5.9
98.21056	1.6
100.02197	0.7
101.04257	1.8
105.00125	1.1
105.07040	1.4
110.09662	1.4
113.04238	10.1
116.01678	11.7
116.07126	5.1
120.01097	0.8
120.08118	6.2
122.02740	0.9
122.09665	3.8
123.08091	1.6
127.05798	0.9
129.07350	7.5
130.06522	8.6
131.01649	0.9
132.01155	39.9
139.05743	1.6
144.01137	6.3
144.08025	0.9
146.02690	0.9
156.08434	52.4
159.04764	20.1
162.02232	8.4
181.82500	0.8
185.06259	0.7
198.09486	18.6
202.08978	100.0
203.33199	0.7
216.10541	69.2
232.97301	0.8
244.09883	6.6
258.24164	0.8
262.11093	59.0
263.14035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86102	0.8
53.03933	0.9
55.01874	1.7
55.05506	2.0
56.05024	2.8
57.03428	1.3
57.07043	1.0
58.99588	9.1
59.83253	0.7
60.04531	1.1
60.85893	0.7
67.05492	2.4
68.05016	1.1
69.07077	0.8
69.97526	3.4
70.06578	2.0
70.97077	0.7
72.08143	2.3
73.02898	1.1
74.00656	1.5
76.02206	2.0
79.05478	2.7
80.05005	1.0
81.03441	0.9
81.06586	0.8
81.07056	14.1
84.08121	3.2
85.01131	10.3
85.02883	0.9
86.00120	1.7
86.00652	32.1
86.09684	2.5
86.99051	3.5
87.02692	7.5
88.02223	1.4
88.03999	5.2
89.25720	0.7
93.07021	1.5
95.08614	8.5
96.08133	1.0
97.07614	0.9
97.08908	1.1
98.09694	6.9
98.68499	0.7
99.08107	1.3
100.02223	1.5
101.04239	2.5
105.00071	1.5
105.06967	0.9
110.09679	1.7
113.04240	9.8
118.06523	1.7
120.01152	1.2
120.08080	3.9
122.02705	2.1
122.09648	1.9
123.08038	3.4
127.05777	1.1
129.07333	8.5
129.10220	1.1
130.06528	14.0
131.01624	1.5
132.01154	53.8
132.08107	1.4
139.05754	1.8
146.02650	1.4
146.05956	1.3
156.08426	36.7
158.05959	1.4
159.04753	23.0
172.07649	1.3
184.07744	1.2
185.06310	1.1
192.03244	3.9
198.09479	12.1
202.08968	100.0
216.10536	39.8
226.08658	0.9
236.26041	0.9
244.09798	4.6
262.11072	80.3
263.11227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56178	0.5
53.03939	3.2
54.71830	0.5
55.01876	1.2
55.05278	0.5
55.05511	13.3
57.03434	1.8
57.07079	4.7
63.98450	0.5
65.03931	1.6
67.05505	46.0
69.03405	0.6
69.06709	1.1
69.07065	12.7
69.44745	1.4
69.45150	2.5
71.04983	2.2
71.08633	2.1
71.22095	0.5
72.88300	0.5
77.03928	0.5
79.05493	63.5
81.07057	50.8
83.04981	1.5
83.08624	7.9
85.06536	3.7
85.10171	0.7
91.05481	30.9
93.07045	83.0
94.07393	0.9
95.04971	5.2
95.08607	38.8
96.68718	0.5
97.06530	3.2
97.10178	2.8
98.21349	1.7
99.08089	4.7
100.83222	0.5
103.05437	0.7
105.04500	0.7
105.07031	20.9
107.08597	52.8
109.06508	2.1
109.10158	16.2
111.08093	3.5
111.11719	0.7
113.09616	1.6
117.07023	6.9
119.06113	0.9
119.08582	16.4
121.10145	44.0
123.08075	2.1
123.11704	3.9
125.09627	0.7
127.11219	0.7
129.07037	0.6
131.08563	15.5
133.10136	14.3
135.08028	0.6
135.11699	35.9
137.09618	2.1
137.13260	1.9
139.11166	1.1
145.10130	15.8
147.11693	11.6
149.09641	0.9
149.13257	27.4
151.11203	1.8
151.14799	0.7
153.12747	1.2
158.10626	0.6
159.11708	11.2
161.13271	12.7
163.11195	1.3
163.14828	20.4
165.12772	2.0
173.13286	10.0
175.14812	4.8
177.12706	1.0
177.16391	5.4
179.14287	1.8
187.14827	8.0
189.16400	1.4
191.14290	1.0
201.16432	2.5
205.15855	1.1
215.17992	1.8
217.19435	1.0
217.83371	0.5
231.11554	0.6
233.22705	1.1
243.21083	33.2
246.13931	0.7
261.22141	100.0
262.22507	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03947	2.5
55.01875	0.7
55.05256	0.8
55.05510	12.8
57.03443	1.8
57.07077	3.6
59.99087	0.5
63.55733	0.6
65.03942	1.5
67.05506	37.9
69.07070	11.8
70.70670	1.4
71.04998	2.1
71.08630	1.1
77.03932	1.1
79.05495	56.2
81.07059	44.0
83.05012	1.1
83.08618	6.4
85.06545	4.1
91.05485	25.3
91.35987	0.5
91.68570	0.5
92.19128	0.5
93.07047	72.4
95.04992	4.4
95.08609	33.0
97.06537	3.2
97.10166	2.3
99.08096	2.7
105.04530	1.0
105.07037	17.4
107.08598	45.6
108.62893	0.5
109.06522	1.9
109.10162	13.9
109.10906	0.9
111.08096	2.4
111.11720	0.7
113.09655	1.0
115.05443	0.6
117.07030	6.5
119.07784	1.0
119.08591	15.0
121.10147	39.1
122.10459	0.5
123.08085	1.4
123.11707	5.0
125.09627	1.2
129.06938	0.6
130.07738	0.7
130.25398	0.4
131.08569	12.8
133.10132	13.7
135.08104	0.9
135.11700	35.2
136.12039	0.6
137.09622	1.6
137.13281	1.0
145.10132	14.0
147.11702	10.1
149.09641	1.4
149.13263	26.1
151.11176	1.2
151.14775	0.8
153.12762	0.9
159.11708	10.0
161.13271	11.4
163.14830	18.7
165.12723	1.2
173.13272	10.3
175.14867	4.4
177.16385	5.1
179.14331	1.4
187.14828	6.1
189.16321	1.1
191.14336	0.7
201.16481	3.2
205.15843	0.7
215.17960	1.4
219.17253	0.6
233.22653	1.6
243.21091	30.6
244.21805	0.5
260.00333	0.6
261.22150	100.0
262.22485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01865	0.7
55.05264	0.8
55.05514	12.3
57.03439	0.8
57.07068	3.2
64.63535	0.6
65.03934	1.3
67.05505	31.9
69.03419	0.8
69.07069	11.2
70.01485	2.2
71.04979	1.6
71.08604	1.5
74.87811	0.6
77.03916	1.0
79.05493	47.8
81.07057	40.6
83.04971	1.1
83.08619	6.0
85.06528	2.4
91.05483	22.9
93.07044	63.1
95.04975	4.1
95.08605	28.3
97.06514	2.0
97.10163	2.1
98.20730	0.6
98.21286	0.8
99.08073	2.2
105.07030	16.8
107.08595	38.2
109.06539	3.4
109.10162	10.5
111.08080	1.9
111.11681	0.9
113.09604	1.1
117.07028	5.0
119.08588	13.5
121.06516	1.0
121.10143	33.7
123.08055	1.8
123.11699	3.8
125.09605	0.6
129.07031	0.6
130.07822	0.6
130.71176	0.6
131.08578	11.6
133.10133	10.5
135.08081	1.3
135.11693	29.6
137.09654	1.2
137.13222	1.8
139.11191	0.8
144.09297	0.8
145.10120	11.9
147.10616	1.0
147.11691	9.7
149.09682	0.8
149.13263	21.4
159.11694	9.1
161.09618	0.8
161.13257	9.6
163.14830	15.2
165.12735	1.8
169.28662	0.5
173.13263	9.1
175.14854	3.3
177.12691	1.2
177.16374	2.9
179.14346	1.2
187.14815	5.0
189.16370	1.4
191.14209	0.9
201.16385	2.5
205.15991	1.2
215.17937	1.6
233.22668	0.7
240.61865	0.5
243.21085	25.1
244.31023	0.5
246.13847	0.6
261.22141	100.0
262.22382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03938	2.0
55.01870	0.8
55.05508	12.6
55.05783	0.6
57.03434	1.1
57.07074	3.7
65.03934	1.8
67.05502	39.4
69.07064	11.2
71.05006	1.8
71.08615	1.0
71.82793	0.4
77.03922	0.8
79.05490	55.9
81.03412	0.5
81.07054	45.8
83.04984	0.9
83.08620	7.1
85.06545	4.0
85.10168	0.5
91.05478	28.2
93.07041	72.4
94.07381	0.8
94.77919	0.4
95.04969	4.8
95.08604	32.1
97.06515	3.4
97.10162	2.0
98.21127	2.1
99.08102	4.3
105.04523	0.9
105.07027	19.3
107.04968	0.6
107.08591	46.4
107.35094	0.4
109.06511	2.3
109.10148	15.0
111.08081	2.8
111.11700	0.9
113.09639	0.9
115.17502	0.4
117.07023	6.4
119.06042	0.7
119.08576	14.8
121.10139	42.6
123.08064	2.2
123.11679	3.2
125.09602	1.1
129.06923	0.4
130.07755	0.4
131.08565	14.1
133.09105	0.7
133.10127	13.1
135.11687	32.7
137.09604	2.4
137.13280	1.4
139.11215	1.2
143.08568	0.4
145.10120	13.9
147.11688	10.7
149.09616	1.0
149.13249	25.1
151.11143	1.1
151.14885	0.7
153.12791	0.7
155.70119	0.4
157.10063	0.4
159.11682	9.1
161.13246	12.0
161.14594	0.7
163.11179	0.8
163.14815	18.8
165.12737	1.3
173.13246	9.9
175.14819	4.2
177.12862	0.5
177.16377	6.1
179.14276	2.5
187.14821	6.9
189.16345	0.8
191.14326	0.4
201.16383	3.1
205.15938	0.9
215.17982	2.1
217.19412	0.5
219.17445	0.7
233.22626	1.0
243.21085	30.4
261.22131	100.0
262.22482	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27289	0.5
51.02383	0.8
51.90701	0.4
53.03948	2.6
54.13367	0.5
55.01876	0.7
55.05254	1.0
55.05511	14.4
57.03428	1.5
57.07077	4.0
65.03940	1.8
67.05505	38.0
69.07069	11.4
69.42165	0.7
69.42567	3.4
71.04993	2.4
71.08633	1.1
77.03944	1.1
79.05493	52.6
81.07058	46.3
83.04990	0.7
83.08621	7.6
85.06541	3.6
85.10210	0.6
91.05482	26.4
93.07046	70.6
95.04989	5.4
95.08608	33.9
95.09234	1.0
97.06524	2.0
97.10168	3.2
98.20739	0.7
98.21394	1.3
99.08087	3.1
105.04521	1.1
105.07034	18.4
107.08597	43.8
109.06512	2.0
109.10160	15.2
109.10921	1.0
111.08084	2.3
111.11724	0.9
113.09657	1.6
117.07014	7.2
119.06095	0.6
119.08580	15.7
121.10145	40.0
123.08074	1.2
123.11711	4.6
125.09610	1.2
131.08577	14.0
133.10129	12.4
135.11697	35.9
137.09637	1.7
137.13252	1.0
139.11211	0.6
145.10133	14.9
147.11687	11.9
149.13258	26.8
151.11198	0.9
153.12805	1.0
155.47380	0.5
159.11687	9.1
161.13257	12.7
163.14828	19.0
165.12776	1.1
173.11922	0.9
173.13278	9.4
175.14841	3.9
177.16383	4.2
179.14288	1.0
187.14838	6.8
201.16351	2.6
205.15826	0.7
215.17973	1.8
217.81834	0.5
219.17509	0.9
233.22527	1.2
238.12852	0.6
243.21085	28.9
250.83972	0.6
261.22144	100.0
262.22519	0.7
266.82687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02370	0.4
53.03943	1.8
55.01876	0.4
55.05513	9.6
57.03437	0.9
57.07078	2.7
59.04997	0.5
63.21091	0.4
65.03926	1.4
65.73182	0.3
67.05505	33.8
68.44269	0.3
69.07068	11.1
69.24790	2.6
69.25195	0.9
71.05003	2.2
71.08623	1.4
77.03926	0.4
77.70876	0.3
78.04691	0.3
79.05495	46.3
81.03433	0.4
81.07059	40.5
83.04990	1.0
83.08622	6.0
85.06542	3.3
85.10202	0.4
91.05056	0.5
91.05480	21.7
93.07047	58.3
94.07353	0.5
95.04970	3.2
95.08608	30.4
97.06532	3.2
97.10142	2.9
99.08089	3.4
105.04516	0.9
105.07035	14.9
107.08598	38.6
109.06523	1.6
109.10152	13.9
111.08069	2.6
111.11708	0.5
113.09658	1.2
117.07005	5.3
119.08585	13.3
121.10147	37.1
123.04427	0.6
123.08071	1.6
123.11707	4.7
125.09615	1.2
129.07094	0.3
130.07813	0.7
131.08572	14.7
133.10127	12.4
135.08124	0.8
135.11696	31.4
137.09592	1.2
137.13283	1.5
139.11185	0.7
145.10126	13.1
147.11696	11.0
147.12892	0.4
149.09572	0.7
149.13261	25.5
151.11176	1.1
151.14850	0.8
153.12735	0.7
159.11699	10.2
161.13254	11.3
163.11243	0.6
163.14824	18.2
165.12781	1.7
165.16360	0.4
173.13260	8.8
175.14838	3.5
177.12828	0.6
177.16389	5.6
179.14311	1.9
187.14828	7.7
189.16341	1.2
191.14339	0.8
201.16411	3.7
203.17966	0.7
205.15886	0.7
215.10773	0.6
215.17915	1.8
217.19537	1.0
219.17445	1.1
231.11699	0.4
233.22610	1.4
243.21089	33.9
244.21375	0.6
261.22144	100.0
262.22476	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1446
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
55.05502	1.3
56.04778	0.9
56.05031	7.9
56.96570	15.7
57.03430	0.8
57.07043	1.0
65.03919	1.0
65.45450	0.8
67.05484	2.5
68.91295	0.8
69.03434	1.0
69.07050	3.3
69.82169	3.6
70.06599	4.0
72.04516	1.0
72.08159	4.6
72.93795	0.9
72.96021	1.2
79.05501	1.0
81.03395	1.0
84.04506	97.3
84.08140	17.1
85.02905	2.9
85.04785	0.8
85.08466	7.3
86.09708	100.0
87.10036	3.3
88.03977	1.4
91.05473	2.0
95.04955	1.9
98.06047	1.9
98.97594	6.4
102.04927	1.3
102.05543	15.7
105.07043	1.6
107.04975	0.9
109.02839	0.8
110.06049	0.8
110.07153	2.3
113.07131	1.5
115.05581	0.8
116.01656	0.8
116.07074	1.4
116.98618	5.4
119.04939	2.3
119.08610	1.0
120.08118	0.9
123.04429	8.7
125.05976	0.9
127.98399	2.5
128.98586	1.1
129.06593	4.8
129.10223	3.5
129.85963	0.9
130.05026	1.0
130.08604	1.8
130.10632	1.3
132.10207	50.0
134.99623	3.1
135.08096	0.8
138.05518	2.2
139.03949	1.1
139.07515	0.9
140.07048	1.6
141.06618	3.1
143.08514	1.0
143.11815	2.1
144.06575	1.2
144.12128	3.6
145.06406	0.9
145.10120	1.5
145.99478	4.9
146.04846	2.6
146.99533	1.0
147.04413	2.1
147.11234	1.3
148.06058	1.1
152.10667	0.9
156.09341	1.2
158.99666	1.1
159.08054	1.5
159.11731	0.8
162.07605	2.4
164.00540	4.6
169.10150	1.4
171.11589	2.7
172.11649	0.9
173.09459	0.9
174.02640	1.4
177.00735	2.0
187.11176	1.9
191.05833	1.0
192.03693	11.9
197.12856	56.8
200.08325	0.9
201.09056	2.2
210.04701	3.1
210.13603	0.8
215.10660	7.0
215.13962	0.9
217.03917	1.7
219.01794	0.9
225.12291	5.2
228.07726	1.1
234.96788	2.2
235.04851	2.7
237.98793	2.9
243.10370	3.5
243.13405	51.7
244.06345	1.5
244.17334	1.2
248.94797	0.8
252.97987	4.9
255.99873	10.1
261.11212	6.0
261.15073	1.6
261.19995	3.0
274.00827	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	7.0
62.58819	1.2
67.04239	2.0
70.40493	4.5
70.40871	2.3
70.98110	1.6
82.06569	5.6
84.08139	21.0
85.08466	9.0
86.09709	3.7
98.21062	2.5
98.97598	11.4
113.03492	2.3
116.98642	4.0
119.01923	2.5
128.98549	1.5
129.10229	2.4
134.99728	1.3
158.99657	2.6
159.03391	1.3
161.03020	1.9
169.01166	2.1
171.02631	1.6
177.00737	2.8
187.00348	1.7
201.03767	3.0
219.01909	2.1
229.03238	30.4
237.02832	2.2
243.04749	5.6
261.03287	5.6
261.05838	100.0
261.09399	13.9
261.20093	3.8
278.96823	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0582
Annotation	Suprofen
Peak:m/z	Relative Intensity
54.66680	1.0
70.15450	4.8
79.22939	0.9
138.99951	1.1
156.17271	1.0
169.01079	2.4
199.50801	1.0
201.03690	2.5
229.03194	25.9
234.96657	1.2
243.04761	3.9
261.05823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03244	0.2
55.75836	0.2
56.49701	0.2
56.96550	1.0
60.40852	0.2
70.42058	0.7
79.12051	0.2
82.99864	0.3
95.04988	0.3
95.38712	0.2
98.97588	7.6
100.97182	0.3
101.00893	2.7
102.96880	0.2
106.18810	0.2
116.97806	0.3
116.98625	5.0
119.01922	7.7
120.02030	0.3
123.04456	1.1
129.02257	0.2
134.99693	2.1
137.03008	1.3
139.03897	0.3
140.98775	0.4
153.00897	0.2
158.99829	1.5
161.02953	0.3
165.99579	0.2
171.11613	0.5
172.08832	0.3
175.02975	0.2
177.00963	15.4
178.01041	0.4
182.99898	0.5
187.11241	0.3
189.00674	0.3
191.02345	0.3
193.04106	0.4
199.02957	0.2
201.00888	1.3
207.58760	0.2
215.10693	0.9
217.04097	2.0
219.02017	20.7
220.02202	0.6
221.01913	0.3
225.00847	2.3
236.54755	0.2
236.95486	0.3
237.98763	1.3
238.98361	0.3
242.03635	0.2
243.02011	9.9
243.10167	0.6
246.10863	0.2
260.04620	0.3
261.03070	100.0
262.03207	2.9
263.03464	0.5
266.03635	0.4
275.04669	1.4
278.97141	0.4
279.00571	3.7
284.04593	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1604
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
52.36219	0.9
55.05530	0.9
56.05031	8.1
56.96555	2.9
69.07066	4.6
70.06577	3.7
70.49935	2.9
72.08137	2.8
73.74710	0.9
83.06104	61.7
84.04504	70.1
84.08143	65.9
86.09704	100.0
98.20897	1.2
98.21413	1.1
98.97564	4.0
101.04256	1.7
101.07151	6.8
101.10767	1.6
116.98624	1.1
129.06570	4.8
129.10233	11.5
130.08641	3.6
132.10210	31.5
137.74654	0.9
141.06592	2.1
143.11760	1.7
147.07692	2.0
147.11298	7.5
152.10686	1.3
157.13414	2.2
171.11276	2.1
185.12753	1.3
196.14479	8.2
197.12854	27.3
225.12425	2.1
237.00754	1.7
239.78497	0.9
242.01582	1.4
242.14996	65.9
243.13423	32.4
243.16978	2.0
255.01773	3.3
260.15854	2.6
260.16599	1.7
260.19672	11.3
267.39319	1.1
273.02765	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	260.1969
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
55.05513	0.6
56.05041	3.8
56.96569	3.9
67.05505	0.7
67.72141	0.3
69.07060	0.9
69.54533	0.3
70.06601	1.1
70.29507	0.6
70.29859	0.9
70.98116	0.7
71.99947	0.3
72.08162	3.7
72.99615	0.4
74.51225	0.3
82.06573	0.7
83.06116	0.7
84.04500	2.5
84.08146	100.0
85.06541	0.6
85.08498	0.9
86.09711	10.7
86.10233	0.6
98.21184	0.8
98.97585	5.5
99.97889	0.5
101.00877	1.5
101.10784	2.6
102.00937	2.3
102.09180	0.5
110.97575	0.8
111.09207	0.4
113.03452	0.5
113.64574	0.3
114.00998	0.4
116.02539	0.6
116.98639	3.3
119.01919	3.3
120.02009	4.1
121.01687	1.3
129.10245	13.6
130.04996	0.9
130.08650	6.5
131.01932	1.4
131.08984	0.3
132.01993	2.7
132.10214	0.8
133.01654	0.7
133.03468	1.0
134.03584	2.3
134.99643	1.4
137.02950	0.4
138.03105	1.0
140.03444	1.2
143.11786	2.3
146.99681	0.5
147.07617	0.8
147.11299	9.9
148.06148	0.4
149.02979	0.5
150.03076	1.4
152.04628	1.1
157.99982	0.4
158.04601	0.5
158.99600	0.6
160.02806	0.5
161.02972	0.7
162.03073	0.8
163.02678	0.4
165.00696	0.5
171.01247	0.5
171.11281	0.9
172.01488	1.1
174.99335	0.6
175.00891	1.8
176.01025	4.1
177.00645	1.2
177.02371	0.5
178.02560	1.4
186.04108	0.4
189.02428	0.8
190.02599	3.4
191.02223	0.5
193.01785	0.6
194.02057	1.3
195.05458	0.3
197.12901	0.4
197.16531	0.7
200.00804	0.5
200.02507	0.7
200.05566	0.6
201.02519	0.6
205.00189	0.5
206.07004	0.4
209.01309	0.4
214.02634	0.5
217.01932	1.0
217.98303	0.5
218.02069	6.2
219.01753	1.4
224.08095	0.5
229.03177	0.8
232.03764	1.9
235.03076	0.8
236.03162	4.4
237.02779	0.6
242.01775	0.5
242.18695	0.8
243.17065	6.3
255.01740	1.3
259.99875	1.2
260.03168	1.9
260.04559	1.9
260.10431	0.7
260.17194	0.7
260.19696	17.6
261.02997	1.2
261.05792	3.8
273.02872	1.0
278.01016	2.0
278.04318	1.8
279.00616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.56645	1.5
52.62910	1.2
55.05512	9.4
57.03425	1.6
57.07069	3.3
67.05510	9.2
69.07068	31.6
71.03947	1.7
71.04307	1.7
71.04998	20.5
79.05471	6.5
81.07059	19.5
83.04975	3.7
83.08618	7.8
85.06543	21.3
91.05492	7.8
93.07049	17.2
95.04989	2.6
95.08607	17.8
97.06519	4.8
97.10159	1.5
99.08062	1.9
105.07031	21.9
107.08600	17.9
109.06532	7.1
109.10142	13.7
111.08066	10.1
115.05414	1.7
117.07004	9.5
119.08579	51.6
121.10128	12.0
123.08035	2.4
123.11703	24.2
128.16768	1.3
129.06937	3.3
129.91183	1.6
130.07716	1.7
131.08553	12.9
133.10130	36.6
135.08047	15.2
135.11702	3.9
137.09596	4.1
142.07785	4.0
143.08549	6.9
144.09351	2.8
145.10132	35.0
147.11691	20.2
149.09622	3.6
149.13298	2.1
151.11093	1.9
156.09352	4.8
157.10112	11.2
159.11690	29.5
160.12494	2.4
161.09634	2.7
161.13249	32.4
163.11209	2.4
170.11031	1.9
171.11664	18.1
173.13217	7.4
175.11226	4.5
175.14824	87.0
176.15601	4.5
177.12769	3.5
177.16400	4.4
183.11867	2.1
185.13254	16.2
189.12740	5.5
189.16399	5.3
190.13565	2.7
191.61118	1.5
197.13470	1.6
199.14796	4.0
201.16391	25.6
203.14284	10.0
213.16248	1.5
215.18013	5.5
217.19392	3.5
241.19516	19.6
259.20572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01877	8.5
55.05510	9.4
55.26929	0.8
56.05034	8.0
57.03443	6.1
58.99573	2.3
65.03927	1.7
67.05503	36.9
68.05017	1.5
68.46789	0.8
69.03428	2.2
69.07067	45.0
69.87696	1.8
69.88100	3.1
70.02945	1.5
70.06586	4.1
71.04993	29.8
72.01404	0.8
72.08152	4.0
72.11494	0.9
73.01122	1.0
73.06537	1.5
74.90241	1.0
79.05492	40.0
80.05021	2.0
81.03414	8.7
81.07056	100.0
82.07370	1.1
83.04984	4.6
83.08642	1.4
84.04506	4.5
84.08149	6.6
85.01112	2.8
85.03008	0.8
85.06526	1.3
86.00641	2.9
86.09705	7.4
86.99056	1.0
87.02693	1.9
87.04468	5.9
91.05473	8.1
91.46935	1.1
93.07041	34.3
95.04970	2.7
95.08606	35.2
96.08128	1.8
97.06535	21.6
98.09692	11.7
98.21500	1.2
99.08095	7.5
101.06016	2.1
102.05556	2.3
103.03942	4.3
103.05447	1.3
103.28793	0.9
105.07034	4.6
107.04942	1.3
107.08574	2.8
108.08135	1.6
109.10127	2.3
110.09685	3.0
111.08140	1.1
112.03964	1.6
113.04239	5.4
113.05932	1.0
114.05508	2.2
114.09187	5.8
115.05468	5.3
115.07570	1.4
116.01670	5.2
119.04931	8.7
119.08575	3.0
119.95832	0.9
120.08133	1.8
121.06480	2.7
121.10138	29.9
122.09714	1.2
123.08070	46.2
123.11699	7.5
125.06049	2.2
128.06212	2.8
129.07034	1.6
130.04985	2.0
130.06822	1.7
131.04906	2.4
131.08591	6.6
133.06462	1.0
133.33821	1.0
137.09608	3.6
138.05482	1.3
139.11179	60.3
141.07008	11.0
143.07054	5.5
143.08536	2.0
144.05704	3.7
145.06445	3.3
147.04396	20.4
149.09628	4.4
152.06215	2.0
155.10651	3.4
156.08395	6.8
156.10231	9.5
157.06375	1.6
157.10101	1.4
159.04527	1.3
159.08067	3.2
160.05115	1.4
161.05956	4.1
162.02112	2.3
163.03922	1.2
167.08435	3.1
167.10680	81.7
169.06491	19.3
169.07811	1.5
169.10167	0.9
171.07982	2.2
173.05986	5.1
175.03925	8.7
175.07410	1.6
185.05966	2.0
185.09669	1.7
185.11729	6.0
187.03923	1.6
187.07544	13.2
189.03329	1.2
189.05527	2.0
189.09102	2.5
195.08067	3.6
197.05978	12.1
198.06743	3.4
199.07600	2.6
200.04678	23.3
201.05467	2.1
203.06950	1.4
205.03444	2.1
212.08385	1.7
213.05450	1.4
213.09096	2.7
215.07013	33.5
215.10278	1.3
216.06970	3.1
217.08620	2.5
222.85178	0.9
223.04521	3.2
231.10147	3.0
241.08572	5.6
241.14363	8.9
245.48305	1.0
259.04245	6.0
259.09567	12.1
259.11243	9.9
259.15338	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	259.1231
Annotation	Marinoquinoline C
Peak:m/z	Relative Intensity
55.05500	0.5
57.07051	0.3
59.44464	0.2
67.05491	0.9
69.07062	0.6
70.18143	0.8
72.08170	0.3
79.05474	1.0
81.07049	0.9
81.16193	0.2
83.08614	0.3
85.06558	0.3
85.47056	0.2
91.05480	1.4
93.07037	0.7
95.08599	0.6
97.06538	0.5
98.21088	0.6
99.73141	0.2
100.66914	0.2
105.07020	1.9
106.59438	0.2
107.08608	0.6
109.10136	0.4
115.05460	4.6
116.04970	0.5
117.05776	0.5
117.07013	0.8
119.08560	1.5
121.10135	0.4
129.05421	0.2
129.07027	0.5
130.06537	7.1
131.08553	0.8
133.10152	1.2
140.04927	0.8
142.06526	7.1
142.07631	0.5
143.07300	1.0
143.08472	0.4
145.10126	0.9
147.11664	0.8
154.06520	1.0
156.08061	0.3
157.10187	0.3
159.11688	0.5
159.67499	0.2
160.07591	1.2
161.13257	0.5
163.03870	0.3
166.06519	1.8
167.07320	3.0
171.11703	0.6
175.14775	0.3
181.07625	0.3
185.13135	0.4
192.08060	0.3
199.14758	0.2
213.08905	0.2
215.08540	0.5
216.08041	0.3
217.08893	5.4
218.09679	2.7
229.10114	0.3
230.09608	1.3
231.10361	0.9
232.11264	2.4
241.08861	2.4
241.19519	0.6
242.09650	4.8
243.09079	10.3
244.09973	10.6
256.09955	4.6
257.10748	17.6
258.11536	4.0
259.12308	100.0
259.20462	4.4
259.27969	1.2
260.12595	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06848	0.7
55.05518	1.2
57.03456	0.8
57.07066	3.7
65.38064	0.8
67.05511	1.5
69.07051	2.0
69.82909	4.0
69.83289	1.5
71.08637	1.4
79.05491	1.8
81.07038	1.9
91.05468	1.6
93.07026	1.6
95.08611	1.8
97.06500	1.8
105.07037	2.2
107.08596	1.0
119.08569	2.7
119.14810	0.7
129.01802	0.8
130.06532	100.0
131.08575	2.0
133.10115	1.2
143.08582	1.0
145.10118	2.6
147.11726	1.4
149.13268	2.1
157.10155	1.4
158.70554	0.9
175.11195	1.0
186.87407	0.9
217.08899	0.9
241.27048	1.1
243.09082	0.9
244.09975	0.8
256.09851	1.0
257.10751	1.6
258.27902	1.6
258.97638	0.9
259.06119	1.0
259.12292	10.6
259.16956	2.7
259.20624	4.7
259.28262	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94150	0.4
53.03942	0.9
55.01871	4.8
55.05505	5.5
56.05037	40.4
57.04570	0.5
57.07074	0.6
57.98793	0.6
58.99583	13.8
59.96710	0.6
60.04523	1.6
61.01153	2.6
62.00641	0.5
62.46482	0.5
66.24419	0.4
67.05505	1.6
68.05024	6.2
69.05804	0.8
69.07066	0.8
70.02953	7.2
70.06591	2.3
70.37836	1.4
70.38187	0.6
70.99586	4.3
71.06126	0.7
72.08158	1.2
73.01136	2.9
74.00661	1.6
74.02433	2.7
74.06071	0.8
74.86422	0.4
76.02235	2.6
76.03995	5.1
79.05493	10.0
80.05013	5.3
81.05798	2.1
81.07055	6.1
82.06574	2.0
83.08613	1.2
84.04505	7.6
84.08144	5.6
85.01126	20.0
85.04075	0.6
86.00653	13.4
86.09711	2.0
86.99055	6.9
87.02688	7.0
88.02213	4.2
88.03999	1.3
91.05486	1.5
93.05777	1.1
93.07050	2.6
94.06569	4.9
95.04999	0.5
95.07350	1.3
95.08609	1.7
96.08128	5.9
97.01116	5.3
97.08918	0.8
98.09692	64.7
99.02666	0.9
99.05582	1.8
99.10056	0.4
100.02190	1.1
100.04009	0.6
102.03773	1.0
102.05541	13.9
105.07040	2.5
108.08124	5.1
109.08898	2.1
110.07162	0.5
110.09676	12.3
111.02642	0.9
112.03968	8.7
113.04230	28.3
114.03761	2.8
114.05539	1.3
115.05779	1.8
116.01679	24.6
119.04947	1.0
119.08580	0.6
120.08081	1.2
121.10172	0.5
122.09676	7.4
123.10446	2.0
129.10226	1.3
130.05011	7.2
130.06888	7.6
130.08624	5.2
139.05737	2.1
143.02733	4.4
144.01135	4.8
145.06068	5.8
146.02713	0.9
147.04433	2.5
156.08427	44.1
156.10201	57.0
162.02199	6.8
167.07341	0.7
168.08134	1.4
174.02240	0.6
184.07849	1.1
188.03734	1.4
189.03253	4.2
202.09004	0.5
213.10580	1.6
216.05312	0.3
216.06883	14.7
242.08521	3.7
259.11118	100.0
260.11462	0.7
282.15710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01878	4.5
55.05502	1.6
57.03426	1.8
65.41306	0.4
67.05509	3.0
69.03430	0.7
69.07069	13.6
70.55186	0.9
79.05058	1.0
79.05495	14.9
87.27576	0.4
88.66068	0.5
89.03918	6.2
91.05479	0.9
95.04977	1.3
97.06532	100.0
98.20895	0.6
98.21445	0.5
105.03411	0.5
105.07066	0.5
107.04950	0.9
115.05424	0.7
117.03387	6.2
131.04930	1.0
133.02838	3.8
135.04414	8.9
145.02844	7.0
147.04411	0.9
159.04433	4.3
161.00969	0.5
161.01305	0.3
161.02342	14.6
163.03906	42.8
173.02345	38.2
175.03958	1.1
185.05957	1.2
186.03108	1.1
187.03889	1.6
187.07545	0.8
189.05409	0.6
201.16422	0.6
215.07027	38.6
232.48062	0.5
241.08716	0.7
259.06912	1.0
259.09698	18.5
259.12271	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
55.25788	0.4
56.05036	1.0
56.96568	9.2
58.99599	0.8
61.02934	0.4
64.38626	0.4
67.04259	2.0
69.03437	0.7
69.07056	0.6
69.67812	1.9
69.76797	0.4
70.06597	2.4
70.98131	2.8
71.95261	0.6
71.99792	0.3
72.08173	1.9
73.01129	0.9
74.00670	5.9
84.04496	2.2
84.08151	7.2
84.96048	0.6
86.09709	4.9
88.03999	0.4
88.99178	1.1
97.02870	0.5
98.21489	0.4
98.97588	15.9
100.02207	94.5
100.97186	0.7
100.99156	0.6
101.00890	2.0
107.04887	0.3
110.97579	2.8
112.08708	0.5
113.00876	0.5
114.05619	0.4
116.09039	0.4
116.98628	11.5
117.01871	0.4
118.03246	4.6
119.00201	0.5
119.01940	4.5
119.04928	0.4
120.01201	0.6
121.81429	0.4
121.97982	0.3
122.60014	0.4
128.98596	2.0
129.10219	3.4
130.08665	0.6
130.10701	0.3
131.01921	2.5
133.03496	2.1
133.04396	0.4
134.99680	5.3
136.06233	0.5
137.02071	0.4
137.02992	0.9
140.05237	0.5
140.98598	1.7
141.01189	0.3
146.02713	100.0
146.99640	1.4
147.04417	1.3
149.02998	1.2
151.04555	0.9
153.00768	0.5
156.04825	0.4
158.99663	7.8
161.01308	0.4
161.02983	1.2
163.03905	0.5
165.00804	0.5
171.01495	0.4
173.02997	0.5
174.99153	1.6
175.00906	2.0
175.11925	0.8
177.00735	10.3
177.02449	1.7
177.03970	0.4
189.02417	1.6
191.02312	0.5
193.00166	1.2
193.01768	0.6
194.05223	0.6
195.01787	1.8
197.52370	0.3
198.99091	0.4
199.02167	3.3
200.02271	0.4
203.04016	0.4
205.03625	0.6
213.02588	0.8
213.06952	17.8
217.00180	4.1
217.01984	2.2
218.05150	0.6
221.02974	1.3
222.03186	0.5
223.02795	2.7
231.03461	0.9
235.01157	7.4
235.03032	1.0
235.97601	0.5
236.06073	0.5
237.00783	0.5
240.98779	0.7
241.03572	0.7
253.02467	0.6
254.07156	0.5
255.01530	0.5
258.99927	7.3
259.04282	12.0
259.07495	23.3
259.16635	0.5
260.19638	0.5
273.02637	0.6
276.97852	0.9
277.00793	9.1
277.04013	1.2
277.10742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	14.7
58.23995	1.4
58.99862	9.3
59.09769	1.3
65.03024	1.4
70.06604	3.1
70.11554	6.1
70.98138	2.0
70.99859	10.0
71.64973	1.3
73.01431	1.7
77.00907	5.0
81.09594	1.3
82.99837	3.2
84.04497	3.2
84.08145	14.6
85.01408	1.5
86.09702	6.3
89.00896	5.3
91.02468	3.4
98.21239	2.9
98.97586	44.7
98.98189	2.9
101.00886	39.8
110.36942	1.3
110.97555	1.8
113.00874	8.2
115.02408	6.8
116.98615	22.5
119.01925	89.4
119.04953	2.2
120.01991	3.1
126.99980	1.7
128.98650	3.4
129.10240	2.5
131.01906	53.8
132.02010	2.2
133.01788	1.6
133.03477	43.9
134.99654	7.9
136.32104	1.6
137.02966	15.6
138.99991	2.2
140.98595	1.6
143.01903	4.5
145.03471	2.5
146.02718	1.7
147.01314	2.2
147.04433	6.3
149.02953	24.0
151.04517	13.9
156.05219	1.4
156.99869	6.0
158.99606	3.1
159.01405	4.3
161.02994	14.3
163.04549	2.4
164.02422	2.0
165.00819	1.8
171.01413	11.9
173.02959	4.0
174.99239	3.9
175.00887	70.4
176.93681	1.6
177.00766	5.6
177.02470	24.4
179.00389	1.6
179.04065	2.1
185.02931	2.7
189.02464	47.4
190.02667	2.5
190.36089	1.6
191.04041	4.1
192.13020	1.4
193.00273	2.6
193.01921	16.5
194.05244	2.2
195.03578	4.3
199.00664	3.7
199.02342	16.2
202.69083	1.4
203.04048	4.3
205.03822	2.3
207.03532	3.5
213.02464	15.0
215.04001	2.1
217.01950	100.0
218.02075	2.0
218.05334	1.6
223.04698	1.5
231.03497	19.2
232.63191	1.5
233.05077	1.5
235.03030	45.2
236.00906	2.0
240.03610	2.8
241.01996	7.2
241.03677	1.5
249.04582	3.2
258.99759	16.5
259.04184	68.9
260.19525	2.1
277.00864	20.7
277.04074	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	259.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77454	1.5
56.96545	3.9
58.99862	2.8
69.97186	7.3
70.06608	1.5
70.99842	4.5
77.00898	2.1
84.08144	4.0
89.00875	2.6
98.20862	2.4
98.21419	2.5
98.97575	10.3
100.02199	5.5
101.00889	15.7
113.00871	15.2
115.02448	3.4
116.98630	3.6
119.01919	32.1
129.10271	2.1
131.01909	100.0
132.01933	1.6
133.03471	26.3
137.02968	5.3
143.01906	6.3
145.03404	2.6
146.02704	7.1
147.04398	2.4
149.02965	34.3
151.04546	8.3
156.99788	2.9
158.99615	1.6
159.01392	11.3
161.02974	4.1
163.04567	2.2
171.01402	5.6
174.99207	4.9
175.00894	24.2
177.00906	2.9
177.02440	51.8
185.02956	7.5
189.02455	22.2
191.03984	1.9
193.00194	4.0
193.01927	4.8
195.01727	2.2
195.03537	10.8
195.33142	1.4
199.02254	11.4
203.03989	4.8
213.02443	35.5
215.04045	6.7
216.99934	2.1
217.01945	34.0
231.03497	29.9
233.05106	3.9
235.03024	21.5
241.01805	21.7
259.03088	84.6
277.00946	3.9
277.04050	54.1
277.07187	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	258.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31179	2.0
51.80574	2.0
55.05496	8.6
57.07085	13.7
58.06604	3.6
58.99586	4.7
61.01152	72.9
62.06079	10.2
67.05486	6.7
69.07077	3.5
69.82337	2.1
69.92666	8.6
71.08624	2.8
74.99072	28.0
76.02211	5.6
79.05482	6.4
80.05018	4.7
81.07053	4.4
82.06588	17.7
83.85864	2.1
87.02659	6.5
91.05478	10.6
93.07027	6.4
95.08572	2.5
97.01116	3.5
101.04238	15.7
103.05755	2.5
105.07043	9.5
108.08147	2.9
111.02666	7.0
113.04224	2.8
121.10142	2.7
125.04208	8.6
128.05318	8.6
129.07278	2.4
130.06873	30.5
133.10147	6.8
140.05307	2.6
142.06851	9.1
145.10141	2.7
148.11235	2.7
150.12761	17.8
153.07373	3.8
156.04840	3.4
158.10617	2.2
160.11966	3.8
164.10735	8.4
165.07268	3.0
167.08937	14.8
168.04753	3.1
170.06296	3.7
176.10718	9.8
181.06848	5.6
182.10028	9.7
184.20624	9.3
188.01918	5.0
198.13110	18.2
202.21651	49.4
210.09485	57.0
224.11064	8.1
227.12814	3.7
230.10318	24.6
235.47440	2.2
240.18292	2.3
256.10187	2.4
257.10602	9.6
258.09705	53.4
258.19342	4.6
258.27948	100.0
259.12305	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84900	7.4
56.96561	20.0
70.06580	24.4
71.57703	15.3
72.08140	11.4
72.83353	7.6
84.04488	15.8
84.08138	22.0
98.21008	10.0
98.97607	9.6
104.10732	18.7
116.07083	24.0
119.01904	27.7
122.97945	8.1
126.06620	9.5
135.04388	8.8
135.60512	7.8
145.03363	7.3
163.03896	24.0
168.07127	10.7
172.25325	8.0
202.43987	8.6
214.07672	15.4
221.02986	41.3
222.03149	74.5
227.80669	8.8
240.04314	9.3
241.93727	8.1
258.07010	100.0
258.14407	19.9
259.04251	33.7
276.04248	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	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46845	0.9
55.05497	4.1
57.03452	1.0
57.07084	2.1
58.07404	1.3
60.43873	1.0
64.00321	1.0
67.05505	11.3
69.07059	4.5
70.06545	1.1
71.04975	3.1
71.08604	0.9
71.31351	1.4
72.08157	1.4
79.05489	9.9
81.07062	9.8
81.08992	1.1
83.08584	3.1
85.06527	2.4
88.07598	2.2
91.05485	11.7
93.07047	15.2
93.57443	1.0
95.04941	5.2
95.08618	9.7
97.06533	1.6
103.05460	1.8
105.07032	29.6
106.07819	1.2
107.08592	15.8
109.06507	4.7
109.10147	9.6
111.08046	2.6
115.05476	2.6
116.06274	1.3
117.07016	15.7
119.08573	23.2
121.10145	82.0
123.08076	3.3
123.11697	2.9
128.06215	4.4
129.06996	12.0
130.07748	1.4
131.08577	24.8
131.93379	1.2
133.07545	2.2
133.10135	10.1
135.08067	16.9
135.11681	2.2
137.09593	4.3
141.06985	3.5
142.07747	3.5
143.08563	20.5
144.09361	1.8
145.06526	1.5
145.10130	29.1
147.08069	1.1
147.11725	4.9
149.09604	4.5
151.11131	1.6
154.07767	1.5
154.63515	1.1
155.08543	5.0
155.32646	1.3
156.09370	2.3
157.10132	20.0
158.10939	1.6
159.08049	2.4
159.11699	17.7
161.09628	1.6
161.13261	1.9
163.11188	3.5
167.08575	1.8
168.09424	2.2
169.10115	13.2
170.10898	2.1
171.11688	12.8
173.09721	2.6
173.13251	16.3
175.11290	1.3
175.14774	1.0
177.12857	1.3
183.11694	10.5
184.12509	3.0
185.13284	2.0
187.11186	3.4
187.14787	2.9
189.12714	1.2
197.13263	10.3
199.14835	34.7
201.12758	4.0
211.14810	2.6
213.16362	10.1
214.16945	1.3
215.14363	2.1
215.17941	6.1
229.19524	2.0
239.17970	18.4
257.10745	2.3
257.19019	100.0
257.26590	12.2
258.19293	2.5
258.27914	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05509	6.7
57.03439	13.9
57.07064	4.2
58.06614	1.0
62.99545	1.0
66.74252	1.1
67.05503	16.1
69.07058	4.5
70.06589	3.1
71.08613	1.5
71.57922	1.6
72.08134	3.1
73.50350	1.0
76.55315	1.0
79.05499	9.7
81.07056	10.8
83.08609	5.9
84.08145	1.3
85.06526	2.3
88.07613	4.0
91.05482	20.3
93.07041	8.4
95.04974	1.6
95.08621	11.8
97.06519	1.9
97.10181	1.5
99.08088	3.1
102.09143	1.7
105.07030	15.4
107.08591	5.1
109.06496	1.7
109.10155	4.6
109.40527	1.1
115.05435	3.0
116.06246	1.4
117.06206	2.0
117.07017	31.6
118.87094	0.9
119.08591	12.1
121.10135	6.5
123.11736	1.4
128.06201	7.8
129.07013	30.3
130.07838	5.5
131.08578	30.3
133.10118	6.2
135.08043	2.3
135.11693	1.2
137.09624	2.0
141.06998	5.8
142.07774	4.2
143.08562	23.0
144.09332	2.6
145.10127	56.7
147.11705	5.8
149.09674	1.4
149.54305	1.2
154.07703	1.5
155.08546	6.2
156.09334	2.4
157.10132	22.4
159.08138	1.2
159.11694	37.2
161.09575	3.4
161.13272	3.3
162.59094	1.0
163.11153	1.9
167.08543	1.8
169.10143	13.4
171.11693	10.3
173.09615	1.8
173.13295	12.9
175.11211	3.8
175.14905	1.5
177.12758	1.3
182.10902	1.6
183.11685	13.5
185.13263	71.0
186.13689	1.1
187.11200	3.5
195.11894	1.1
197.13266	11.7
199.14816	3.4
201.12737	1.8
201.16371	6.7
210.14050	2.1
211.14796	4.4
213.16417	1.6
229.19475	5.3
239.17944	24.5
256.69006	1.2
257.19016	100.0
257.26666	29.8
257.30200	3.8
258.19299	1.5
258.27893	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05505	3.4
57.07063	2.4
58.31422	1.4
67.05494	5.9
69.07054	6.6
70.06668	2.7
70.07092	4.6
71.04974	3.8
79.05511	7.3
81.07043	5.7
83.08632	2.1
85.06535	4.2
91.05470	7.5
93.07052	12.6
95.04993	2.8
95.08607	9.6
98.20830	3.1
99.08076	1.7
105.07028	23.5
107.08586	14.8
109.06528	6.3
109.10162	7.9
116.61390	1.5
117.07047	5.0
119.08581	21.2
121.10148	69.4
123.08104	3.8
123.11719	1.6
129.06995	6.2
131.08583	13.3
133.10150	9.5
135.08057	15.1
135.11694	4.0
137.09615	6.0
141.06961	2.5
142.07777	6.0
143.08569	16.8
144.09369	1.9
145.10144	16.2
147.11656	3.4
149.09622	5.2
155.08585	4.5
156.09341	4.2
157.10162	21.3
157.75343	1.7
158.10922	3.2
159.11693	16.7
161.09631	2.5
161.30022	1.5
163.11212	3.4
168.09305	1.9
169.10149	9.2
170.10924	3.1
171.11673	9.0
173.09630	2.8
173.13255	20.6
174.14059	1.5
175.14769	2.5
182.10893	1.7
183.11713	8.6
184.12460	3.5
185.75023	1.5
187.11198	6.6
187.14792	4.9
197.13319	9.1
199.14845	34.9
201.12671	7.4
213.16463	11.4
214.17172	3.2
215.18004	8.3
224.15399	2.0
239.17972	14.6
257.19025	100.0
257.26706	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.65988	0.6
53.03952	0.8
55.01862	1.3
55.05514	9.2
57.03431	1.1
57.07061	1.7
60.08154	2.1
65.03935	0.8
67.05164	1.1
67.05507	18.8
69.03429	0.7
69.07076	4.6
69.07385	0.9
69.23820	6.3
71.04990	1.0
79.05493	10.0
81.07056	13.1
83.04944	0.7
83.08618	3.3
91.05483	16.4
93.07046	9.2
95.04966	1.3
95.08044	1.2
95.08609	14.4
96.04513	0.7
97.06520	1.0
97.10166	1.4
98.21320	2.5
99.08100	0.7
102.84493	0.7
103.05465	0.7
105.07030	19.3
107.08601	4.5
109.06491	0.9
109.10141	6.8
111.08067	1.0
115.05451	1.7
116.06242	1.4
117.07017	21.0
119.08582	13.7
121.06538	1.0
121.10162	4.9
123.08073	0.7
123.11649	1.0
128.06218	2.9
129.06992	9.3
130.07800	4.2
131.08569	34.6
133.06516	1.6
133.10138	10.5
135.08046	1.7
135.11690	1.8
137.09644	0.8
141.07007	3.5
142.07767	2.2
143.08554	13.0
144.09349	1.2
145.06506	5.6
145.10126	66.2
147.08054	2.7
147.11676	9.4
149.09615	1.7
153.07062	0.9
154.07784	1.6
155.08546	5.5
155.30133	0.6
156.09364	1.3
157.10138	10.6
158.07269	1.1
159.08046	2.9
159.11699	19.5
161.09633	2.3
161.13263	2.4
163.11186	0.9
168.09370	1.3
169.10149	8.8
170.10881	0.7
171.11684	14.1
173.09608	2.6
173.13274	7.4
175.11159	1.8
183.11707	8.8
184.12595	0.6
185.13277	2.5
187.11198	11.2
187.14767	3.9
189.12733	1.8
197.13251	9.0
199.14763	2.1
200.15318	0.6
201.12704	1.9
211.14806	1.7
213.16391	1.6
215.14322	2.3
215.17932	2.1
229.15863	1.4
229.16446	0.6
229.19507	30.9
239.17920	14.3
257.19006	100.0
257.30325	16.0
258.19400	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03953	1.0
55.01873	1.4
55.05517	9.9
57.03425	2.3
57.07043	1.2
58.37083	0.9
67.05163	1.5
67.05505	21.4
69.03434	1.2
69.07072	5.4
69.58990	1.9
69.59412	4.0
71.04985	1.7
79.05495	13.6
81.03436	0.8
81.07057	19.1
83.04981	1.6
83.08620	3.8
85.06527	2.3
86.09731	0.7
91.04963	1.5
91.05483	18.9
93.07050	11.2
95.04966	2.5
95.08607	16.7
97.06528	3.3
97.10159	1.5
99.08105	0.9
105.07037	17.2
107.04962	1.3
107.08605	7.2
109.06527	2.5
109.10159	5.7
111.08078	1.3
115.05455	3.0
116.06219	2.3
117.07027	31.9
119.08588	12.6
121.06470	2.3
121.10130	4.3
123.08094	0.8
125.09609	1.0
128.06250	4.9
129.07004	13.4
130.07796	5.6
131.08574	53.7
133.06461	3.7
133.10129	10.6
135.08047	2.9
135.11656	2.5
137.09624	2.4
141.07031	6.8
142.07774	4.1
143.08563	21.8
144.09305	1.5
144.78943	0.9
145.06474	3.5
145.10130	77.0
146.10640	1.1
147.08044	3.6
147.11667	5.7
149.09604	2.6
149.13281	1.2
153.01894	1.2
154.07852	0.9
155.08553	10.3
157.10130	21.3
159.08040	3.3
159.11696	30.1
161.09627	5.4
161.13242	2.8
163.11192	2.5
165.12807	0.9
168.09421	1.2
169.10144	14.6
171.11703	19.5
173.09679	3.7
173.13275	13.5
175.11166	5.8
175.14824	1.7
177.12779	1.1
183.11705	14.4
185.13251	4.8
187.11208	6.2
187.14838	2.5
189.12787	2.2
190.68796	0.8
195.11539	0.9
196.12526	1.4
197.13268	13.9
199.14845	5.8
201.12756	3.5
210.14063	1.4
211.14845	4.3
213.16365	5.6
215.14384	4.1
215.17937	2.9
229.08580	1.0
229.15939	1.4
229.19528	4.7
239.17940	32.6
248.61275	0.8
256.09906	2.1
257.08261	1.3
257.10715	3.0
257.13202	2.3
257.19025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
55.05511	4.3
57.03439	10.9
63.09114	0.6
65.03938	0.8
66.89806	0.6
67.05505	39.9
69.03426	1.6
69.07068	3.0
70.87405	1.6
71.04987	3.9
79.05478	4.8
81.03431	1.1
81.07057	30.5
83.04955	0.6
83.15553	0.7
85.06556	0.9
87.62696	0.7
91.05460	4.4
93.07056	6.3
95.04972	4.8
95.08610	16.9
97.06550	1.0
99.04462	2.3
99.08073	2.9
99.65047	0.7
107.08602	2.9
109.06512	2.4
109.10156	100.0
110.10526	1.0
111.04455	2.1
118.15422	0.7
119.08587	5.9
121.10133	2.0
125.05990	2.8
137.09616	95.5
138.09906	1.2
147.08095	1.3
155.08714	0.8
155.10663	10.1
165.09122	50.9
183.10176	4.8
185.25130	0.6
201.11151	4.1
229.08556	1.3
239.12782	12.0
257.08066	2.7
257.13840	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	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
53.39551	0.6
55.01873	2.5
55.05508	7.1
57.03438	16.7
59.04999	0.9
61.29367	0.6
63.23217	0.6
65.03941	1.2
67.05506	39.7
69.03426	11.0
69.07056	2.6
70.06598	1.8
70.16477	1.5
70.16882	1.1
70.99564	0.7
71.04994	13.0
74.74258	0.6
79.05491	7.4
81.03419	3.0
81.07063	7.0
82.06576	1.8
83.04971	3.5
84.08146	0.8
85.02912	2.8
85.06540	1.1
91.05482	33.9
93.07048	31.2
95.04956	4.1
95.08608	100.0
97.06540	1.5
98.00642	1.3
98.21254	1.4
99.04474	3.7
101.02348	0.9
101.06031	3.1
103.05475	1.8
104.05805	2.2
105.07008	2.4
107.04982	1.5
107.08607	1.5
108.04485	1.9
108.08102	2.1
109.06511	2.0
109.08498	1.0
109.10159	36.7
111.04450	1.3
111.08068	1.8
112.02192	2.7
113.06022	3.6
113.09622	1.2
117.07031	1.6
118.06544	1.2
119.08581	45.1
121.02872	2.2
123.08010	1.0
125.07135	4.2
129.07013	1.5
130.05576	0.9
130.06532	18.3
131.05022	0.7
131.07275	3.4
136.93140	0.7
137.09619	80.3
143.08527	1.7
144.08165	0.7
145.07619	1.1
146.05997	0.8
147.08073	5.5
148.02071	0.7
149.02953	1.5
152.10863	0.7
153.05476	0.8
155.07292	1.0
155.10678	12.1
158.06010	3.6
162.03748	6.6
165.09123	15.6
168.08076	0.8
170.09618	3.1
173.02922	1.0
183.10176	5.4
195.09155	2.8
196.09930	4.0
197.10698	1.1
201.11151	4.7
211.07471	0.7
214.05659	1.2
224.09384	0.7
227.06398	1.4
228.07143	0.9
229.05302	1.0
229.07967	21.6
239.12727	2.4
252.72728	0.7
253.64081	0.7
257.04468	7.6
257.07471	20.9
257.11014	2.4
257.13797	42.2
257.26620	0.7
274.31522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.4
55.05519	7.0
57.03441	19.4
59.04987	1.8
63.39069	1.2
65.03913	1.6
67.05505	39.1
69.03422	12.2
69.07053	2.8
71.04993	11.7
71.58070	1.9
79.05493	6.3
81.03421	2.5
81.07044	7.8
83.04953	2.3
85.02897	3.5
85.06513	1.7
91.05481	34.1
93.07042	32.2
95.04954	5.1
95.08607	100.0
99.04440	3.0
101.05976	2.0
105.07017	3.0
107.08625	2.0
109.06523	1.7
109.09451	2.5
109.10160	36.3
111.08036	1.3
113.05993	2.4
117.07014	3.9
119.08586	44.0
123.08056	1.6
124.24134	1.3
129.07002	1.9
131.54028	1.3
137.09618	80.2
143.08595	1.3
145.10158	1.2
147.08041	5.0
152.35617	1.3
155.08514	3.9
155.10664	13.4
159.08107	2.1
165.06961	1.8
165.09140	13.3
183.08028	2.4
183.10152	5.0
201.09076	2.4
201.11189	3.7
211.07420	1.4
229.04976	1.6
229.08643	6.6
239.07050	1.8
239.12729	2.3
242.05835	1.3
257.04364	2.8
257.08209	7.7
257.13824	37.3
257.19153	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	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01864	2.7
55.05510	1.9
57.03442	4.2
57.03673	0.7
58.26875	0.7
59.23529	0.7
60.85657	0.8
63.06506	0.7
67.05501	8.2
69.03410	0.9
69.07063	1.6
70.06582	2.0
70.39984	2.2
71.04987	2.1
79.05499	7.2
81.03419	100.0
81.07051	4.4
83.04978	2.1
84.08129	1.1
85.02910	3.1
86.09691	1.2
91.05484	15.3
93.07061	9.6
95.04978	3.1
95.08611	6.5
97.02879	1.3
98.09692	1.0
99.04465	0.7
103.03982	1.0
103.05473	1.0
105.07048	1.8
107.08575	0.8
108.04497	2.5
109.06566	1.2
109.10145	4.2
111.08104	1.1
117.07040	1.0
119.08584	17.3
121.06501	6.1
121.10204	0.8
123.08095	2.9
125.07138	2.5
125.09633	0.8
129.06972	0.8
137.09607	17.4
137.10574	1.4
147.08047	3.9
155.08551	1.0
165.09120	31.0
167.08395	0.9
183.10182	2.2
199.90959	0.8
206.79950	0.9
215.79327	0.8
229.08582	1.3
239.10748	1.0
239.12741	5.0
257.04556	2.4
257.08133	2.4
257.13873	3.8
257.18787	0.9
266.06781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96287	0.8
56.96566	14.5
58.60743	0.4
60.22598	0.4
69.08028	0.3
70.07201	1.4
71.95279	3.5
85.26324	0.3
98.97582	100.0
116.98620	56.4
119.01913	0.8
130.93295	1.7
131.00142	0.4
134.99657	17.7
140.00220	1.1
153.00674	1.3
154.93280	0.5
158.01268	0.5
169.03120	0.4
172.94337	4.9
180.56259	0.4
185.22345	0.4
190.95425	3.9
208.96481	1.0
214.95337	1.8
230.98560	0.6
232.96432	4.9
247.19533	0.4
250.97572	2.7
251.49339	0.9
251.99008	0.5
256.96448	10.9
258.96338	0.6
274.97498	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	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.4
55.05519	7.0
57.03441	19.4
59.04987	1.8
63.39069	1.2
65.03913	1.6
67.05505	39.1
69.03422	12.2
69.07053	2.8
71.04993	11.7
71.58070	1.9
79.05493	6.3
81.03421	2.5
81.07044	7.8
83.04953	2.3
85.02897	3.5
85.06513	1.7
91.05481	34.1
93.07042	32.2
95.04954	5.1
95.08607	100.0
99.04440	3.0
101.05976	2.0
105.07017	3.0
107.08625	2.0
109.06523	1.7
109.09451	2.5
109.10160	36.3
111.08036	1.3
113.05993	2.4
117.07014	3.9
119.08586	44.0
123.08056	1.6
124.24134	1.3
129.07002	1.9
131.54028	1.3
137.09618	80.2
143.08595	1.3
145.10158	1.2
147.08041	5.0
152.35617	1.3
155.08514	3.9
155.10664	13.4
159.08107	2.1
165.06961	1.8
165.09140	13.3
183.08028	2.4
183.10152	5.0
201.09076	2.4
201.11189	3.7
211.07420	1.4
229.04976	1.6
229.08643	6.6
239.07050	1.8
239.12729	2.3
242.05835	1.3
257.04364	2.8
257.08209	7.7
257.13824	37.3
257.19153	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	255.1744
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03928	1.0
53.07728	0.8
53.12931	0.8
53.67275	0.8
55.01862	1.3
55.05494	3.7
56.34536	0.7
56.96552	3.7
57.03418	1.7
57.07062	1.6
67.05502	4.7
69.03410	1.4
69.07061	4.8
71.04977	3.5
71.08629	1.0
79.05486	8.0
81.07054	7.3
83.08608	2.6
85.06524	1.5
91.05466	10.0
93.07043	12.8
94.69380	0.8
95.05000	1.7
95.08586	3.8
96.16562	0.8
97.02871	2.2
97.06543	6.2
97.10160	1.6
98.97847	1.9
98.98463	26.5
105.07024	10.6
107.04932	1.5
107.08600	6.4
109.06512	9.9
109.10169	2.1
111.08075	2.0
115.05450	1.8
117.07003	4.0
119.08584	12.1
121.06540	1.5
121.10146	5.4
123.08061	2.5
125.09663	1.5
128.06224	3.0
129.06985	3.5
130.06508	2.2
130.07761	0.9
131.08580	4.4
133.06502	6.8
133.10117	7.7
135.08043	11.8
135.11668	1.7
141.06978	5.9
142.07803	5.2
143.08559	14.1
145.10130	3.5
147.08020	1.2
149.09618	2.2
149.13272	1.1
153.07019	2.6
153.09003	1.0
154.07758	2.4
155.08536	9.0
156.09354	8.6
157.10112	16.6
158.10893	1.5
159.11687	3.1
161.09634	1.1
163.07544	3.6
165.07025	2.9
167.08542	8.8
168.09384	1.2
169.10117	23.5
170.10918	4.6
171.08002	1.3
171.11696	15.0
173.09552	1.6
173.13272	2.1
175.11139	1.6
177.88783	0.9
179.08578	1.5
180.09328	2.2
181.08723	1.5
181.10127	6.5
182.10918	14.2
183.11685	7.4
185.09590	2.2
185.13240	6.2
186.10551	1.1
187.11201	1.8
190.98683	2.0
193.10117	3.5
194.10896	2.5
195.11713	9.7
196.12534	4.8
197.13251	54.3
198.13992	3.0
199.11162	8.3
207.11688	8.0
208.12486	2.7
208.99683	3.7
209.13295	3.1
211.11180	1.5
211.14824	30.3
212.15633	8.1
213.12741	3.0
213.16383	25.0
222.13977	7.0
225.12755	2.8
227.17838	1.1
237.16469	11.6
240.15109	2.4
255.06224	1.3
255.17445	100.0
256.17737	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1743
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03946	0.8
55.01872	0.9
55.05516	3.8
57.03440	3.1
57.07069	1.7
57.82985	0.7
59.05003	1.0
65.03932	0.7
67.05503	5.9
68.41859	0.6
69.03397	0.6
69.07076	4.8
70.18251	2.2
71.04986	2.0
79.05502	6.1
81.07052	4.7
83.04971	2.0
83.08614	2.1
84.08117	0.6
85.06538	1.8
91.05477	5.1
93.07049	8.5
95.04960	2.3
95.08588	3.9
97.02875	1.4
97.06510	3.5
97.10163	0.9
98.21050	1.3
98.98461	15.2
103.05461	1.0
105.07031	6.9
107.04990	0.8
107.08601	9.4
109.06545	2.9
109.10160	2.4
109.54425	0.7
111.08058	1.0
115.05430	1.2
117.07042	2.8
119.07790	0.8
119.08588	10.9
121.06511	1.1
121.10138	3.2
123.08049	1.4
125.09603	1.3
128.06219	2.5
129.07019	3.7
130.07816	0.8
131.08592	3.0
133.10129	6.4
135.08083	5.1
135.11688	3.6
137.09616	0.7
139.11180	0.7
139.80457	0.7
141.07001	2.4
142.07780	4.8
143.08565	12.6
144.09354	0.9
145.06503	1.1
145.10138	4.8
147.08057	2.5
147.11720	1.0
149.09616	1.6
153.06979	1.9
154.07808	1.1
155.08566	9.0
156.09361	9.0
157.10127	18.8
158.10806	1.4
159.08121	1.5
159.11690	5.8
161.09613	3.7
163.07594	2.0
163.11237	0.7
165.07043	2.8
166.07777	0.8
167.08568	6.6
168.09334	2.5
169.10138	12.0
170.10948	4.0
171.07973	0.9
171.11685	25.1
172.12457	1.5
173.09650	1.4
173.13274	3.5
175.11203	2.3
179.08537	1.8
180.09381	2.6
181.08611	1.2
181.10135	7.8
181.12207	1.2
182.10907	12.2
182.54671	0.6
183.11676	9.6
184.12454	1.3
185.09648	3.5
185.13263	8.4
186.10435	0.9
187.11177	2.8
192.00159	0.7
193.10104	4.2
194.10890	1.2
195.11702	9.9
196.12512	4.8
197.13261	40.1
198.10518	1.1
198.13992	2.8
199.09506	0.9
199.11185	9.3
199.14932	0.7
200.11981	1.3
205.51665	0.7
207.11708	7.2
208.12479	2.1
209.13312	2.8
210.10294	0.7
211.11157	2.1
211.14848	12.1
212.11971	1.2
212.15598	9.6
213.12875	7.8
213.16368	22.3
214.13531	1.9
221.13300	0.6
222.14061	6.7
225.12730	3.8
226.13676	0.7
227.14272	1.4
227.17961	2.4
237.16422	15.0
240.15085	4.3
255.17459	100.0
256.17813	1.9
278.71060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10794	2.8
51.85893	2.5
53.03941	4.7
55.01862	4.3
55.05513	30.1
55.64011	2.8
57.03439	44.8
57.07068	17.4
59.15033	2.9
60.08746	2.5
67.05507	85.7
69.03420	4.5
69.07068	31.4
69.52708	18.9
70.06579	2.8
71.01347	8.4
71.04982	9.1
79.05063	5.0
79.05496	75.5
81.03413	9.2
81.07066	41.9
83.04974	25.4
83.08630	8.0
85.02866	3.5
85.06549	6.0
87.06429	2.6
91.05476	38.1
93.07046	88.1
95.04956	10.3
95.08625	18.1
96.34546	2.6
97.02871	4.2
97.06547	25.0
97.10181	19.4
98.21129	10.0
98.97851	4.1
98.98476	72.6
99.08076	4.8
99.25531	2.7
100.07645	3.6
100.98910	3.8
105.00551	2.7
105.07040	6.7
107.08596	62.8
109.10156	10.9
111.08064	6.5
115.78400	2.8
117.07001	10.3
119.08589	12.9
121.06487	5.2
121.10143	10.5
125.09634	7.0
133.10126	8.4
135.08029	7.8
135.11699	100.0
138.55432	2.8
145.10146	14.7
149.13274	3.6
163.11185	17.4
176.98911	3.6
181.08598	10.1
181.12189	10.4
197.13203	3.7
199.09657	11.0
255.12007	4.3
255.15768	45.5
255.25131	9.1
256.26379	8.6
274.85129	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	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03921	4.3
55.01856	3.6
55.05514	28.4
57.03439	51.4
57.07079	7.0
58.06581	1.1
65.03923	1.7
67.05508	84.0
69.03418	1.9
69.06732	2.0
69.07068	26.7
70.06558	1.6
70.55368	1.9
70.55712	2.5
70.71348	1.2
71.01346	7.0
71.04995	9.3
79.05496	81.9
81.03425	11.8
81.07062	38.9
83.04982	26.5
83.08630	8.4
85.06551	6.0
91.05482	34.0
93.07048	84.1
95.04951	9.0
95.08604	10.5
97.05996	1.7
97.06535	21.5
97.10172	13.0
98.21023	2.4
98.98466	26.0
99.04437	1.3
99.08073	3.8
100.07612	3.1
100.71246	1.1
101.07943	1.5
105.04454	1.9
105.07023	7.3
107.04920	3.5
107.08599	55.6
109.06524	1.6
109.10152	9.0
111.08081	3.5
115.05518	1.8
117.07013	9.2
119.08568	10.3
121.06480	2.5
121.10162	11.9
125.09615	4.0
129.50340	1.2
130.07809	1.5
133.10114	6.0
135.08029	2.8
135.11697	100.0
137.09587	2.7
145.10133	20.2
153.12697	4.2
163.07570	1.6
163.11205	14.0
181.12236	17.7
197.13100	1.5
255.06543	1.3
255.15863	60.1
255.25150	13.7
256.26202	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.6
53.38423	1.7
55.01859	4.6
55.05516	27.8
56.96549	1.9
57.03442	49.9
57.03708	1.8
57.07052	6.4
58.92390	1.4
65.03928	2.1
66.19094	1.4
67.05508	84.1
69.03409	2.4
69.06719	2.2
69.07066	29.8
71.01324	7.0
71.04996	9.8
71.08617	1.8
71.26501	2.1
71.26840	2.9
79.05499	80.1
81.03433	9.6
81.07061	41.4
83.04985	24.5
83.08627	10.2
85.06516	6.7
88.07632	2.0
91.05488	31.8
93.07051	87.4
95.04971	10.6
95.08611	12.5
97.02862	1.9
97.06020	1.6
97.06542	19.6
97.10181	15.5
98.97865	2.8
98.98475	44.7
99.08077	3.3
100.98871	2.8
105.04528	1.8
105.07038	8.5
107.04916	4.5
107.08602	61.5
109.06482	4.4
109.10184	9.0
111.08048	2.7
115.05391	2.0
117.07001	8.4
119.08585	13.6
121.06498	3.7
121.10153	12.9
125.09592	4.6
133.10088	5.0
135.08000	6.3
135.11699	100.0
137.09564	5.2
143.08580	1.7
145.10120	20.3
153.12738	4.0
157.10031	2.7
163.07487	2.1
163.11176	15.2
181.12222	14.4
234.16457	2.1
240.08345	1.8
255.06200	2.7
255.15813	56.4
256.26364	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	255.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36425	1.1
53.03948	1.5
55.01872	11.2
55.05514	9.9
55.63344	1.0
56.96569	1.6
57.03437	17.6
58.74973	1.2
58.94720	1.1
63.61049	1.2
65.03911	1.8
67.05505	20.8
69.03423	3.7
69.07048	2.3
70.06574	2.3
70.08048	1.2
70.13998	2.3
70.14367	4.5
70.72246	1.1
71.04983	4.9
72.08136	1.2
73.02906	1.3
79.05495	46.7
79.05961	2.3
81.03422	3.0
81.07055	7.4
83.04979	4.1
83.08613	3.3
84.08124	2.1
84.55022	1.0
85.02907	2.7
85.06534	1.9
91.04958	1.8
91.05481	21.7
93.03438	1.9
93.07046	26.8
95.04964	3.4
95.08574	3.9
96.04472	1.5
97.02895	13.2
97.06522	1.3
97.10157	1.4
98.21169	2.6
98.98477	17.7
99.00789	2.2
99.04450	15.9
103.05465	2.1
105.07024	4.1
107.04959	23.7
107.08595	53.2
108.68302	1.6
109.02882	2.1
109.06509	3.9
109.10149	2.2
111.04416	3.3
111.08079	1.5
111.96636	1.2
115.05434	5.1
117.07022	45.8
119.00251	1.1
119.04936	2.6
119.08556	3.1
120.08120	2.1
121.06494	14.9
123.05563	7.0
125.09637	7.6
128.98647	1.5
129.10326	1.3
133.06441	1.6
134.95326	1.0
135.08055	86.2
139.06001	1.0
145.06493	8.1
153.09111	14.3
160.88818	1.2
163.07539	74.1
164.07841	1.1
181.08592	18.8
199.09663	100.0
207.05943	1.8
208.99628	1.8
255.06465	5.9
255.12242	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	255.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87694	0.7
53.03937	1.6
55.01873	8.8
55.05510	7.8
56.96564	2.2
57.03185	0.9
57.03435	12.5
57.07071	1.4
65.03938	2.0
67.05167	1.3
67.05504	19.1
69.03413	3.3
69.07050	2.5
69.61282	5.6
70.06581	1.6
71.04995	5.8
72.08147	1.5
73.02908	1.2
74.83499	0.9
77.03902	0.8
79.05493	46.3
81.03416	5.3
81.07059	8.4
83.01321	1.2
83.04963	3.2
83.08626	2.6
84.08123	0.8
85.02902	3.1
85.06528	1.8
91.05483	24.2
93.03419	1.3
93.03989	0.9
93.07049	23.8
95.04964	2.8
95.08595	4.6
95.49011	1.0
97.02888	9.9
97.06523	1.4
98.98466	22.1
99.00793	3.1
99.04460	15.9
100.98866	1.1
103.05438	2.1
105.07032	5.2
107.04960	20.7
107.08595	49.4
109.02848	1.1
109.06511	3.7
109.10167	2.8
111.04433	4.5
111.08088	1.3
115.05456	5.8
117.07020	40.9
119.04946	1.9
119.08559	2.6
121.06520	14.0
121.10161	1.1
123.05564	11.2
125.09650	6.3
130.06471	1.2
130.80132	0.8
133.06467	1.2
135.08058	78.2
145.06497	8.7
153.06955	1.4
153.08058	1.2
153.09108	12.2
157.10027	0.9
163.07547	68.7
176.99022	1.1
181.06238	1.0
181.08577	16.8
190.98569	1.7
193.04907	1.1
199.09657	100.0
200.10014	1.2
209.10696	1.5
223.05768	2.6
227.06964	1.8
255.06281	5.3
255.12306	25.8
255.17787	1.4
264.73645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.4
55.01871	10.3
55.05510	8.8
57.03217	1.5
57.03438	16.3
67.05505	16.2
71.02259	3.9
71.04980	6.5
72.55026	2.0
79.05490	42.4
81.03420	3.1
81.07054	6.5
83.04982	4.0
83.08582	3.3
85.02894	2.5
87.43167	1.9
91.05478	16.7
93.07047	22.1
93.22198	1.8
95.04992	3.0
95.08609	2.3
97.02880	7.5
97.06542	2.7
98.98467	10.1
99.00795	2.3
99.04443	15.9
105.07029	5.2
107.04968	19.6
107.07864	2.4
107.08596	49.7
109.06503	3.2
111.04418	4.2
115.05476	5.8
117.07023	39.4
119.04949	3.1
119.08539	2.8
121.06499	15.8
123.05528	3.1
125.09644	5.5
133.06509	2.1
135.08054	78.4
145.06487	8.1
153.09088	11.0
160.56981	1.6
163.07550	70.0
181.08578	17.8
199.09657	100.0
203.51152	1.7
255.06520	3.7
255.12308	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
56.96558	1.1
57.03444	3.5
61.02922	0.8
65.56113	0.3
69.03416	1.6
70.65860	0.8
71.01345	0.9
73.02921	1.9
78.03436	1.0
80.05020	2.9
82.24449	0.3
85.02908	2.4
86.09706	1.4
87.04469	0.4
96.04488	0.8
97.02895	1.0
98.21204	0.5
101.00888	0.6
103.03948	0.3
106.02917	6.0
110.07166	0.7
115.03893	1.7
119.01931	1.4
123.05554	100.0
124.05920	0.5
133.04958	2.4
138.41360	0.3
214.09267	1.0
228.14470	0.4
230.38147	0.3
232.10272	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
56.40955	0.2
57.03438	2.3
59.04991	0.3
61.02926	0.5
69.03435	1.6
69.68002	1.1
69.68416	0.4
71.01335	0.8
73.02921	2.0
78.03453	1.2
80.05015	2.7
81.35471	0.3
85.02909	1.9
87.04468	0.4
91.45366	0.2
96.04493	0.7
97.02879	0.9
103.03929	0.4
106.02914	6.8
110.07113	0.3
115.03885	1.3
123.05553	100.0
124.04013	0.3
124.05853	0.4
130.19783	0.3
133.04951	2.5
150.39192	0.2
170.95729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01868	2.6
55.05503	1.2
56.96565	0.7
57.03439	5.7
57.07052	0.4
59.05000	0.7
61.02906	0.6
62.38078	0.3
67.05510	2.5
69.03426	2.0
69.07047	1.1
69.96004	1.4
70.06585	1.1
71.01347	1.3
71.04990	0.4
72.08146	0.8
73.02920	2.4
78.03448	0.7
79.05494	6.1
80.05015	2.8
81.03439	0.9
81.07053	2.5
83.04959	0.6
83.08631	0.8
84.08131	0.6
85.02914	2.3
85.06538	0.5
91.05480	3.4
93.07049	3.9
95.04967	1.0
95.05992	0.4
95.08604	2.4
96.04500	1.2
97.02889	2.4
97.06502	0.6
97.10188	0.7
98.98472	6.0
102.15482	0.3
103.03907	0.7
105.07032	0.7
106.02910	7.0
107.04978	2.9
107.08603	3.6
109.06521	1.0
109.10217	0.5
110.07139	0.7
111.08061	0.8
115.03938	1.2
115.05426	0.8
117.07007	3.3
119.08591	0.5
120.08118	0.9
121.06528	1.0
123.05553	100.0
124.05916	0.6
125.07237	0.4
125.09634	1.0
133.04970	2.0
135.08064	8.7
137.06000	0.8
145.06490	1.2
152.04034	0.4
153.07092	0.4
153.09073	2.3
163.06250	0.7
163.07526	5.0
163.08763	0.5
165.09079	0.5
175.08672	0.6
176.98894	0.4
177.12775	0.4
179.06432	0.9
181.08603	2.6
190.98744	0.4
199.09686	1.2
207.05896	1.5
208.99652	0.9
227.06857	0.4
237.11214	0.4
255.06224	6.6
255.12209	5.4
255.14594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.12087	0.1
57.03179	0.2
57.03437	2.8
59.04984	0.3
61.02923	0.8
62.79108	0.2
69.03436	1.8
69.93101	0.7
71.01360	0.7
71.01681	0.1
71.42961	0.1
73.02911	1.9
78.03445	1.5
80.05015	2.7
85.02909	2.1
86.45766	0.2
87.04463	0.2
96.04520	0.8
96.95844	0.2
97.02896	0.8
101.05449	0.2
106.02917	6.2
115.03918	1.3
123.05556	100.0
124.03966	0.4
133.04964	2.5
159.52283	0.1
170.95728	0.2
176.93501	0.2
230.97968	0.2
255.09666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
56.05018	0.4
57.07062	0.3
58.02943	1.3
60.04512	0.5
61.58666	0.3
67.05491	1.0
68.05019	0.3
69.07055	1.4
69.94113	1.7
70.06573	0.4
76.03995	0.4
79.05485	2.6
79.77525	0.3
80.05000	1.0
81.07058	1.7
82.06573	0.6
83.08596	0.7
84.08134	0.7
86.02398	0.5
86.09680	0.3
88.03970	1.1
89.13439	0.3
91.05472	1.5
93.05762	0.3
93.07043	4.3
94.06551	1.1
95.08605	1.2
98.20796	0.3
98.21358	0.7
98.98460	2.7
100.96873	0.3
102.05535	0.5
105.07024	0.6
107.08593	2.6
108.08112	3.4
109.08879	0.5
110.09663	0.8
119.08630	0.7
120.08117	0.5
121.10152	0.6
122.09668	5.7
123.10431	0.7
123.11713	0.4
126.05493	0.7
128.07062	0.5
135.11702	3.2
136.11211	3.1
138.05498	2.9
140.07039	0.4
142.08615	0.9
149.26843	0.3
150.12761	2.8
151.13583	2.7
152.07047	0.8
153.07884	0.5
154.08624	1.1
156.06537	1.4
156.10181	0.8
161.13359	0.4
164.14359	7.1
166.08635	2.8
166.12265	0.5
167.09433	0.5
168.10207	2.0
180.10193	3.2
181.11046	1.5
182.11729	1.3
208.13315	2.4
210.14885	100.0
211.15236	0.9
212.16449	4.3
217.75215	0.3
254.17505	45.7
255.17819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
55.01860	1.2
55.05515	4.0
55.81759	0.6
56.40910	0.6
57.03442	8.0
57.07068	2.2
65.03931	1.3
67.05502	25.7
69.03420	1.2
69.07060	2.7
69.57477	3.7
71.04997	1.1
79.05493	9.2
81.03423	1.3
81.07051	8.9
83.04984	1.2
83.08608	0.9
84.08141	1.2
85.06538	1.6
91.05479	77.1
93.07035	5.9
95.04959	4.2
95.08607	4.4
97.02884	0.7
97.06526	1.3
98.20773	1.4
98.21426	1.4
98.98464	100.0
99.04462	0.6
100.98880	0.9
105.07027	32.7
107.08591	4.0
109.06506	2.2
109.10181	3.2
111.04426	1.3
113.05999	1.0
116.99488	2.9
117.07027	4.2
119.03429	1.4
119.05950	0.6
119.08564	4.3
121.10115	1.1
123.08117	0.6
123.11719	1.6
128.06253	2.4
131.08600	3.8
133.10127	85.8
135.08044	1.0
135.11682	2.5
137.09589	1.0
140.00986	0.8
141.05429	0.7
143.08546	5.4
147.11748	1.0
151.07423	0.7
151.11218	5.4
157.10242	0.6
161.09612	14.1
165.07007	0.8
169.10107	0.8
171.08820	0.9
174.99223	1.7
176.98936	1.9
179.10640	2.7
195.11880	0.6
197.11710	2.4
210.06761	1.0
221.05858	0.8
235.13225	1.7
238.11044	0.7
253.08591	1.4
253.14328	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	253.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01858	2.2
55.05507	10.2
57.03436	18.9
57.83480	1.2
63.33310	1.2
65.03938	2.6
67.05503	38.2
69.03427	6.5
69.07066	6.8
69.50687	7.0
70.27872	1.1
71.04989	2.5
79.05056	1.4
79.05495	23.5
81.02963	1.7
81.03413	19.5
81.07056	23.0
83.04982	19.3
83.08620	2.7
85.06532	3.5
91.05479	100.0
93.07034	8.6
95.04968	9.4
95.08595	6.4
97.02890	6.6
97.06522	2.9
98.21244	4.0
98.98466	44.6
99.04425	1.7
105.04530	1.0
105.07025	39.8
107.04956	6.3
107.08596	8.1
109.02839	2.5
109.06496	2.4
109.10139	2.2
109.97785	1.1
111.04407	1.5
111.08034	1.6
111.42796	1.0
117.07030	9.8
119.08572	16.3
121.10136	2.5
123.08029	2.6
123.11617	1.2
128.06192	2.8
131.08557	4.7
133.06406	1.9
133.10133	41.9
135.08038	2.7
143.08554	6.8
147.08055	1.0
149.09615	5.2
151.11214	5.2
161.09621	16.5
161.19862	1.0
162.09479	1.1
165.05559	1.2
174.99211	2.3
179.10658	7.4
194.18617	1.2
212.41028	1.1
224.21094	1.1
235.13361	1.8
253.08824	1.1
253.14331	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	253.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
53.62121	0.6
55.01880	3.8
55.05265	0.7
55.05515	10.8
57.03439	20.6
57.07067	0.9
58.10991	0.6
59.05021	0.8
65.03929	1.9
67.05508	35.0
69.03439	2.8
69.05787	0.7
69.07077	4.3
69.93742	2.2
71.05005	3.5
76.04008	1.5
77.03923	0.8
79.05497	23.5
81.02975	1.2
81.03426	19.5
81.07063	20.9
83.04984	16.9
83.08617	2.7
85.06546	3.6
91.05484	100.0
93.07052	9.5
95.04970	8.7
95.08629	3.9
97.02895	6.2
97.06541	4.7
98.98469	46.8
99.04471	1.0
103.03966	1.1
105.07031	36.0
107.04961	7.8
107.08604	5.1
109.06541	3.5
109.10173	1.7
111.08092	1.9
113.06026	1.8
113.84972	0.6
115.05460	1.9
116.05329	1.1
116.99550	1.8
117.07025	10.2
118.04940	0.6
119.08585	16.5
121.10178	1.5
123.08087	1.2
123.11690	0.9
128.06215	4.2
131.08574	6.6
133.06499	1.0
133.10138	39.1
135.08061	4.5
135.11639	0.9
137.09694	0.6
143.08562	6.2
147.08026	0.9
149.09633	5.9
151.11185	4.1
161.09634	16.3
161.10925	1.1
174.99292	0.7
176.98920	0.9
179.10678	8.8
182.30800	0.5
183.10155	1.1
197.11778	1.3
235.13429	0.9
253.08646	1.3
253.14342	17.9
253.16794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
51.02367	0.9
53.03934	1.7
55.01877	7.0
55.05513	21.7
57.03425	3.6
57.07066	2.0
59.04990	3.2
63.09263	1.0
65.03931	1.4
67.05507	18.0
69.03419	1.4
69.07068	5.0
70.25996	0.8
70.42577	0.8
70.83475	1.2
70.83807	2.0
71.04973	3.7
72.87994	0.8
74.95580	0.7
79.05493	26.4
81.03425	6.1
81.07056	17.6
83.04983	17.0
83.08611	1.8
84.04514	0.9
84.08134	1.7
85.02901	1.2
85.06537	2.4
87.04473	15.6
91.05482	29.7
93.07042	20.6
95.04972	10.1
95.08617	8.7
97.02890	1.0
97.06549	4.4
97.10175	2.9
98.98469	100.0
99.08099	2.4
101.06017	18.0
102.54439	0.8
103.05452	1.5
105.07036	23.6
107.04936	2.3
107.08594	5.5
109.06516	7.6
109.10161	2.8
111.04449	15.4
111.08076	2.5
113.06030	4.0
113.96455	0.9
115.03935	7.9
115.05455	1.9
116.99500	3.1
117.07022	5.4
119.04947	1.4
119.08583	10.7
120.08096	1.7
121.06525	4.9
121.08463	0.8
121.10139	12.0
123.08082	14.0
123.11659	1.0
125.06005	1.9
125.09632	10.1
128.06192	2.0
129.05515	8.2
129.07008	14.3
130.07770	1.4
131.08569	8.9
133.06491	10.9
133.10138	13.4
135.08070	4.5
135.11690	1.2
137.03430	0.9
137.05981	20.8
137.09605	2.5
139.07561	1.7
139.11188	2.5
142.07759	1.9
143.08533	7.6
145.10129	4.7
146.06065	1.4
147.06557	2.3
147.08018	2.7
147.11707	10.0
149.07954	4.2
149.09631	1.9
151.07555	4.5
155.07025	4.3
155.08551	2.2
157.10132	8.0
161.09619	6.1
161.13292	4.4
163.11096	0.9
165.07088	1.0
169.10100	1.1
171.11697	25.0
173.09605	4.0
173.13255	1.3
174.99252	2.1
175.11205	9.0
176.98827	1.0
179.10706	1.6
181.10107	2.8
189.09189	1.0
189.12773	16.7
193.12239	17.3
195.65211	0.8
197.11745	1.1
199.11200	11.1
207.10150	1.7
207.13773	5.5
217.12231	30.9
235.13310	23.5
253.08656	1.7
253.14397	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	253.1185
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
54.05827	0.4
56.58478	0.5
60.04531	57.8
62.55164	0.4
67.05503	1.0
69.03439	0.6
69.62918	2.8
70.06609	0.7
81.07053	1.2
84.08141	1.3
86.09706	1.2
87.05587	2.6
91.05501	1.1
93.07019	0.9
95.08608	1.0
98.98474	41.6
103.05458	3.6
105.07092	0.6
107.04967	1.2
110.07144	0.9
111.67284	0.4
114.96939	0.4
116.99529	0.7
120.08114	100.0
131.04935	2.4
132.08070	1.2
136.06201	1.9
144.08107	2.0
149.05997	2.0
150.05524	2.6
159.02905	0.9
160.07645	0.6
162.09169	2.7
166.08653	57.8
174.99234	0.9
176.99042	0.6
189.10208	0.7
191.08487	0.7
197.11835	0.6
206.08128	0.8
207.11305	15.5
219.05051	1.4
223.56035	0.5
235.10738	4.1
236.03595	0.6
253.11757	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	253.1184
Annotation	Phenylalanylserine
Peak:m/z	Relative Intensity
53.03954	0.2
56.96558	1.2
57.07071	0.3
60.04516	1.6
67.05502	0.7
69.03427	0.3
69.07053	0.2
70.06597	1.5
70.18143	0.7
71.04979	0.2
71.05384	0.2
72.08132	0.5
79.05487	0.3
81.07053	0.6
83.06129	0.2
84.04516	0.3
84.08147	1.7
85.02901	0.8
86.09698	0.8
88.03985	0.7
91.05513	1.0
93.07049	2.0
94.06540	0.6
95.04964	0.2
95.06063	0.3
95.08626	0.3
97.02857	0.4
98.20942	0.5
98.21530	0.2
98.98470	16.2
103.05469	5.9
103.06142	0.4
105.07018	0.3
106.05037	0.9
106.06578	0.4
110.07150	2.2
112.07594	0.5
116.03469	0.3
116.07104	0.3
116.98653	0.5
116.99508	0.4
119.04926	0.2
119.07348	0.3
120.08109	100.0
121.08466	0.8
122.06035	0.5
129.10243	0.8
132.08098	0.8
136.06192	0.7
136.07607	0.5
137.06552	0.6
144.08072	1.1
146.09636	0.4
150.05505	8.1
156.07732	0.4
158.56883	0.2
163.03911	0.3
166.08672	0.8
174.99254	0.4
176.98834	0.3
178.08665	0.6
180.05190	0.8
182.08240	0.3
188.07669	0.3
191.08595	0.3
207.11264	1.4
212.07689	0.4
230.08783	0.4
235.10902	0.2
235.11736	0.2
236.09093	0.3
253.00279	0.3
253.11769	3.2
254.15106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51348	0.6
55.05508	1.4
56.05026	1.1
57.07071	3.7
60.04525	1.4
67.05502	6.1
69.07048	0.9
69.69450	3.3
70.06585	2.9
71.04987	0.8
72.08160	3.4
77.54648	0.7
77.89376	0.6
81.07039	0.8
84.08141	5.5
85.06540	100.0
86.09693	3.4
87.00828	0.7
88.04026	0.7
90.49598	0.7
95.04978	0.9
98.21127	2.7
98.79479	0.7
98.98463	41.7
105.01865	1.4
110.07172	1.1
116.99567	0.9
119.04939	2.6
120.08095	2.8
129.10252	2.2
131.07037	26.7
136.06198	2.7
147.04436	7.2
149.08099	0.9
150.05507	1.0
154.24352	0.6
155.68579	0.8
163.07539	1.4
164.07990	0.8
166.08684	0.9
174.09937	0.8
177.05495	1.0
192.11031	0.9
194.05043	0.7
205.98831	1.5
206.08020	0.9
225.91534	0.7
234.12123	1.7
234.14815	0.8
235.15775	1.1
252.13245	2.7
252.16020	3.9
252.23293	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2007
Annotation	roughanic acid
Peak:m/z	Relative Intensity
52.83097	0.6
53.03940	1.6
55.01862	0.8
55.05517	7.7
57.07072	2.7
57.62532	0.6
59.04995	1.3
65.03947	2.7
67.05508	100.0
69.03443	0.8
69.07076	7.6
69.70274	1.1
69.70686	3.2
71.04996	2.2
79.05499	14.3
81.07063	91.1
83.04992	1.5
83.08640	4.0
85.06551	2.3
91.05483	5.0
93.07048	16.1
95.04978	2.6
95.08611	61.7
97.06548	2.9
97.10139	1.9
98.98473	97.6
99.08076	0.9
101.23544	0.8
105.07027	3.6
107.08595	11.9
109.06506	1.2
109.10166	46.7
113.05970	0.9
116.99529	2.5
117.07017	2.0
119.08602	3.8
121.06467	1.2
121.10155	9.8
123.08086	0.8
123.11714	26.1
125.09630	0.7
127.07623	1.3
131.08592	5.0
133.10120	3.4
135.08066	2.7
135.11693	10.8
137.09657	1.7
137.13258	7.5
139.07521	0.8
139.11182	0.9
140.01001	1.1
145.10161	4.9
147.11708	1.4
149.09608	5.0
149.13266	4.9
151.11124	1.2
151.14857	1.3
152.15253	0.6
153.09091	1.5
155.24773	0.7
158.08533	0.8
159.11723	4.9
163.07541	2.8
163.11200	4.5
167.10703	2.3
173.09572	1.7
173.13281	3.1
174.99283	3.7
177.12766	2.8
181.10164	0.7
181.12212	3.6
189.16388	1.3
191.10817	1.7
191.14247	0.9
191.17941	2.8
195.11928	1.0
195.13829	5.1
195.27359	0.8
205.19473	1.3
205.98805	1.0
207.11705	1.4
209.13393	1.6
209.15410	2.0
215.07266	0.7
215.10678	1.5
215.17953	5.1
233.11743	1.6
233.18913	5.1
242.21719	0.8
251.04771	0.9
251.12578	1.7
251.17957	3.3
251.20096	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	251.2005
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03943	0.6
53.46131	0.5
55.01880	0.7
55.05508	6.1
57.03438	0.7
57.07079	1.7
61.92436	0.4
65.03941	1.4
67.05505	69.4
69.03415	0.7
69.07067	6.0
71.04992	3.1
71.08619	0.5
77.01585	0.5
79.05491	13.2
81.07056	65.6
83.04979	1.7
83.08611	3.1
85.06545	1.8
91.05488	4.4
93.07046	16.9
95.04959	1.5
95.08606	47.2
97.06525	2.0
97.10167	1.6
98.21091	0.7
98.98466	100.0
101.05997	0.5
105.07059	2.8
107.07872	0.5
107.08589	10.9
109.06519	1.8
109.10157	32.7
113.05982	0.5
116.99524	2.6
117.07012	1.6
119.08578	2.6
120.04475	0.4
121.06493	1.3
121.10151	8.9
123.08032	1.0
123.11707	15.8
123.22715	0.4
125.09558	0.5
131.08569	4.3
133.10147	4.4
135.08026	2.4
135.11696	9.4
137.09602	1.7
137.13242	4.7
139.07535	0.6
140.01073	0.8
143.08542	0.5
145.10127	3.3
147.11656	1.3
149.09618	3.4
149.13261	4.2
151.14806	0.8
153.09050	0.6
159.11671	3.9
163.07561	1.5
163.11206	3.5
163.14865	0.5
167.10689	1.7
173.09563	0.7
173.13237	1.9
174.99251	4.6
177.12766	2.4
181.12251	2.5
187.11055	0.6
187.14830	0.6
189.16463	1.0
191.10628	1.0
191.14313	0.9
191.17981	2.8
193.10172	1.0
195.02037	0.6
195.13818	3.1
205.12335	0.6
205.19554	0.4
208.12498	0.5
209.15370	1.6
215.10762	0.6
215.17958	4.9
233.19044	5.2
251.12547	0.7
251.16431	1.9
251.20065	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03936	2.6
55.01868	2.3
55.05510	6.3
57.03434	1.3
59.05003	0.7
65.03932	2.3
67.05504	24.2
69.03423	1.3
69.07073	5.3
69.78092	0.8
70.24426	2.3
71.04990	3.5
73.06561	0.8
77.01595	0.8
79.05056	1.1
79.05490	16.1
81.03418	44.1
81.07056	21.4
82.09280	0.6
83.04980	3.0
83.08607	2.6
85.06543	1.0
85.14257	0.6
91.05479	15.8
93.07044	10.7
95.04967	28.6
95.08606	11.3
97.06538	3.5
98.98465	100.0
99.04429	0.8
99.08114	1.0
103.05436	1.4
105.07026	12.9
107.04958	2.1
107.08597	7.7
109.06518	6.8
109.10147	2.3
111.08091	1.0
115.05493	1.0
116.99538	2.4
117.07021	5.7
119.08572	10.2
121.06515	12.2
121.10159	6.0
123.08051	4.6
123.11713	2.6
125.05984	0.8
128.06212	0.7
129.06981	3.1
130.07771	0.9
131.08566	19.7
133.06522	2.1
133.10103	3.7
135.08069	5.4
135.11703	1.6
137.05959	1.0
137.09631	2.0
141.06995	1.3
143.08563	1.9
145.06415	0.9
145.10129	10.8
147.08037	2.4
147.11703	3.5
148.76787	0.6
149.09651	3.7
149.13295	1.7
151.07526	1.4
155.08565	1.9
157.10114	0.8
159.08034	1.2
159.11702	2.5
163.07553	4.4
163.11232	0.9
165.12764	0.9
167.10750	0.7
169.10126	1.5
171.11713	3.7
173.09634	2.5
173.13280	2.8
174.99240	3.9
177.08980	0.7
177.12782	0.7
185.13231	0.8
187.11162	1.5
187.14825	9.0
191.06956	0.8
191.10683	2.0
191.14270	0.7
197.13232	4.6
205.15915	2.3
214.72511	0.7
215.10794	1.6
215.14316	6.3
233.11705	1.7
233.15366	20.0
233.18977	0.8
251.10649	1.4
251.12712	4.8
251.16382	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03943	1.2
55.01872	1.3
55.05508	2.0
57.03444	0.5
57.07081	3.7
57.44091	0.5
59.05001	2.5
67.05511	3.5
69.03436	2.3
69.07066	1.6
69.51659	1.4
69.52086	1.6
71.04996	45.3
79.05497	4.4
81.03414	1.3
81.07060	5.2
81.94762	0.4
83.04980	9.1
83.08640	0.8
84.08147	0.5
85.06541	1.8
90.59309	0.4
91.05488	3.2
93.07045	4.9
94.54839	0.5
95.04976	8.3
95.08613	4.0
97.06536	6.4
98.21043	1.8
98.98469	100.0
99.04475	1.0
105.07024	3.7
107.04996	0.7
107.08601	6.3
109.06508	2.0
109.10143	3.8
111.08092	0.7
113.05978	1.4
115.05445	0.7
116.99496	2.9
117.06964	1.2
119.08595	3.1
121.06485	1.9
121.10155	7.5
123.08086	3.2
123.11707	1.3
125.05996	24.9
125.09612	0.5
128.07108	0.5
129.07042	0.5
130.07761	0.9
131.08537	4.2
133.06503	0.7
133.10141	1.0
135.08063	1.6
135.11714	2.4
137.05983	0.5
137.09602	1.6
140.01112	0.7
145.06442	0.6
145.10143	5.9
147.08060	1.7
147.11711	1.5
149.05969	0.5
149.09633	4.2
149.13263	0.7
151.07535	5.2
157.10266	0.6
159.07997	0.8
159.11685	1.4
161.13332	0.8
163.07567	3.6
163.11191	31.2
165.09164	1.1
165.12755	0.4
173.09615	1.5
173.13246	1.0
174.99261	3.6
175.11185	0.8
177.09119	2.7
181.12239	14.5
187.11227	0.9
187.14841	0.6
189.12761	1.2
191.10652	1.7
191.14323	0.6
193.12242	1.3
195.10182	2.2
197.13191	0.4
205.12173	0.5
207.13715	0.6
215.10695	1.2
215.14265	0.9
215.17606	0.5
233.11732	1.5
233.15373	4.6
233.18874	0.6
251.04826	0.5
251.12727	3.1
251.16425	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
52.02526	0.8
53.03939	1.1
55.01865	1.7
55.05496	3.8
57.07083	4.6
58.43102	0.9
59.04983	3.5
67.05502	6.3
67.08170	0.8
69.03442	4.3
69.07076	4.0
71.04995	37.5
71.31264	1.9
72.18890	0.9
79.05492	5.5
81.03408	1.7
81.07055	6.6
83.04564	0.8
83.04992	6.9
83.08601	2.7
85.06538	3.7
91.05494	8.0
93.07049	7.4
95.04984	9.3
95.08609	9.0
97.06527	7.7
98.98467	100.0
99.04410	1.4
105.07034	5.9
107.04949	2.2
107.08597	9.9
109.06499	3.7
109.10165	8.1
111.08080	3.0
113.05978	4.0
115.05437	1.1
115.07600	1.6
116.99518	1.6
117.07002	3.2
119.08579	14.3
121.06511	4.3
121.10149	13.5
123.08093	6.9
123.11713	2.3
125.05994	15.4
125.09579	1.3
129.07002	1.5
130.06483	3.1
131.08562	5.7
133.06471	1.0
133.10112	3.3
135.08017	3.2
135.11678	3.9
136.08730	1.5
137.09615	18.5
139.07535	0.9
145.10130	11.7
147.08051	25.5
147.09201	1.3
147.11655	5.5
149.09607	6.0
151.07570	5.7
151.11134	1.7
151.14812	1.9
153.09047	1.3
155.10724	1.6
157.10182	2.0
159.08118	1.1
159.11722	1.2
163.07576	5.3
163.11180	32.4
163.14859	2.0
165.09148	1.2
165.12741	1.0
167.08698	1.1
171.11765	1.2
173.09648	3.0
173.13252	1.4
174.99231	3.9
175.11200	5.0
177.09036	1.5
179.14301	9.4
181.12228	10.9
187.11293	1.0
187.14796	3.2
189.12697	1.8
191.10657	2.3
191.14307	3.7
193.12271	2.4
195.10158	2.1
205.15833	2.0
207.13753	3.2
215.10680	2.1
215.14304	5.4
228.63724	0.9
233.11699	1.1
233.15361	18.9
251.12740	5.7
251.16423	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
50.98130	0.3
53.03942	1.1
55.01854	0.8
55.05510	1.8
56.96558	1.0
57.03439	0.4
57.07068	0.7
59.04982	0.3
65.03933	1.0
67.05505	10.5
69.03421	0.5
69.07072	3.1
71.04646	0.3
71.04975	2.0
71.23483	0.6
79.05492	6.8
81.03421	15.7
81.07059	10.2
83.04981	1.8
83.08614	0.8
83.44225	0.3
85.06546	0.4
91.05482	7.1
93.07039	5.4
95.04967	15.8
95.08611	5.6
97.06527	1.6
98.98467	100.0
99.38573	0.3
103.05486	0.5
105.07030	6.2
107.04951	1.3
107.08605	2.9
109.06526	3.8
109.10150	1.8
111.08071	0.5
113.05994	0.5
116.99526	2.8
117.07011	2.5
119.08591	5.1
121.06506	5.0
121.10146	2.1
123.04459	0.5
123.08038	2.2
123.11691	0.6
125.06040	0.5
129.07028	1.7
130.07784	0.3
131.08578	7.3
133.06519	0.5
133.10121	1.5
135.08061	2.4
135.11673	0.5
137.05949	1.0
137.09625	0.7
140.01042	0.8
141.06992	0.8
143.08553	0.5
145.10121	3.4
147.08080	1.0
147.11658	1.7
149.09662	1.4
149.13315	0.4
151.07568	1.1
151.11169	0.4
155.08577	0.8
157.10190	0.4
159.07976	0.4
159.11713	1.4
161.13284	0.3
163.07526	2.8
163.11159	0.7
165.12845	0.5
169.10150	0.8
171.11740	1.4
173.09682	1.2
173.13295	1.4
174.99229	3.9
177.09125	0.5
177.12764	0.4
187.11160	0.8
187.14824	3.7
189.12729	0.4
191.10779	1.1
197.13251	1.9
205.12457	0.4
205.15919	0.8
209.13451	0.5
213.08124	0.6
215.10782	0.6
215.14275	2.0
215.17818	0.3
231.08975	0.4
233.11717	1.1
233.15375	9.0
239.05817	0.4
251.12564	1.9
251.16364	7.1
251.20290	0.6
269.10638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.05512	1.2
57.03431	1.3
61.01145	0.5
63.02369	1.0
67.05507	0.4
67.13651	0.3
69.03423	0.8
69.44700	3.3
70.06591	6.6
71.04984	0.8
72.08152	0.7
76.02197	0.5
77.03955	0.4
78.04707	0.7
78.96784	1.0
79.05495	1.1
81.07060	1.5
82.07371	0.4
83.05020	0.4
84.04487	0.7
84.08144	1.0
85.02867	0.4
86.09699	1.4
89.03918	20.4
91.05485	3.7
93.06973	0.4
95.04966	1.2
95.08572	0.6
97.06515	0.4
98.98467	64.6
101.04232	2.0
103.05468	1.3
105.07035	1.3
106.04155	1.4
107.04948	0.6
107.08574	0.6
109.10159	0.4
110.03535	0.9
111.04465	0.6
116.05297	1.0
116.99532	2.1
117.03378	50.6
117.07027	0.7
118.03245	0.4
119.04935	1.4
119.08621	0.4
120.08100	1.8
121.06460	0.9
129.10199	0.5
131.08554	0.7
134.03627	5.9
135.04413	3.8
135.98924	0.4
136.06184	4.2
136.07520	0.8
145.02846	85.1
146.03200	0.5
147.04407	1.0
149.05977	14.1
152.05678	6.9
153.04254	3.3
153.06133	5.5
154.04399	1.0
162.03120	11.1
163.03888	1.5
163.07561	3.2
163.98337	1.2
171.04387	1.0
173.02425	0.5
173.09625	1.1
174.03111	1.1
174.99240	2.6
175.03873	1.6
177.05467	100.0
178.05794	0.6
186.05499	1.2
187.11154	0.4
191.07071	0.9
191.08591	0.7
191.10594	0.9
203.07010	0.6
205.12193	0.5
206.08034	0.6
215.07079	0.4
215.10651	0.6
219.06496	5.5
233.11629	1.2
234.13481	0.7
251.05016	0.5
251.08791	2.4
251.13148	6.0
252.14560	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1439
Annotation	CHEBI:69739
Peak:m/z	Relative Intensity
55.05509	6.5
56.05021	1.4
56.42034	0.7
57.03439	14.7
67.05499	1.4
70.06617	0.8
71.14805	0.9
71.15134	1.4
72.04507	1.0
79.05489	1.8
81.07050	1.2
82.06573	1.0
83.08604	1.2
91.05468	3.1
93.05750	0.9
93.07039	3.3
94.06573	9.3
95.08621	1.5
97.02892	1.8
98.21048	1.0
98.98469	40.6
104.05772	0.8
105.07008	1.3
106.06550	3.0
107.07349	1.4
107.08573	2.0
108.08093	1.5
110.06045	0.9
113.48756	0.7
116.58210	0.8
116.99529	1.5
118.06577	4.8
119.07331	2.3
119.08595	2.9
120.04484	2.8
120.08102	4.1
122.09574	1.3
124.07590	5.9
131.08513	1.2
132.08104	7.0
133.08887	2.4
134.09648	10.8
135.10468	0.8
136.06169	2.1
136.80342	0.8
138.05453	3.8
140.07095	5.9
145.08759	1.0
146.09644	4.3
147.10487	4.1
147.11488	0.8
148.11205	21.1
150.09140	9.5
151.06297	3.4
152.07069	36.0
152.10814	0.9
157.10120	0.9
158.09666	1.0
162.09123	1.4
164.07048	2.3
166.05045	1.2
174.12773	2.7
174.99280	1.4
176.10677	1.7
176.14256	0.9
178.08629	4.4
179.09496	0.8
180.10204	19.4
192.10175	3.9
193.10928	1.6
194.11778	43.0
196.09671	10.5
203.09398	0.8
204.13855	25.4
208.09695	25.0
232.13319	5.3
233.11183	0.7
243.14667	0.8
250.09122	3.0
250.14394	100.0
251.14783	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1439
Annotation	Peyophorine
Peak:m/z	Relative Intensity
53.03932	0.8
55.01873	0.8
55.05508	1.1
56.05025	1.1
57.03445	3.2
60.03792	0.5
61.05798	0.5
64.42207	0.5
67.05505	1.1
69.03410	0.7
69.07066	4.3
69.96028	2.0
70.06598	6.2
72.08128	0.7
73.06554	0.8
79.05501	6.6
81.07047	0.7
83.00801	0.4
84.04488	0.9
84.08134	1.4
85.01107	0.6
86.06078	7.5
86.09717	0.4
91.05466	3.1
93.07037	1.9
94.04041	1.0
95.08530	0.6
96.41804	0.5
97.02879	1.0
97.06535	4.0
98.20660	0.6
98.98469	20.2
102.73489	0.4
103.03959	0.8
103.05476	0.5
105.07042	3.2
107.08586	1.6
108.08116	0.7
114.05540	3.1
116.07099	2.2
116.99496	0.6
117.03500	0.5
117.07072	0.7
119.03566	1.6
119.08586	9.5
120.08154	0.8
120.08959	0.6
121.06538	0.7
122.06039	1.9
128.67580	0.5
129.07034	1.5
129.10231	0.7
131.08649	1.0
133.06523	0.7
134.09637	1.5
135.08000	1.0
136.06192	100.0
137.04567	1.4
145.02928	1.0
145.10083	0.8
146.06001	0.6
146.09656	0.5
147.08046	0.8
147.11656	1.5
147.69690	0.5
148.11174	1.0
157.10139	1.8
158.09567	0.7
162.09148	2.2
163.07516	1.3
166.08621	1.3
174.99182	0.8
175.11226	1.9
176.10831	0.9
176.14377	0.9
177.05522	1.1
178.05121	0.6
178.08725	0.7
180.10303	0.9
182.11781	0.6
185.09344	0.6
186.12691	1.0
188.07138	0.7
190.12361	0.9
194.08170	2.2
203.09430	1.8
204.06699	0.6
204.10208	1.4
204.13828	3.9
215.10573	0.6
232.13605	3.4
233.06657	0.5
250.12968	29.0
250.14398	89.9
251.12885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1074
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
53.03941	1.0
55.01867	8.8
55.05502	8.4
56.05038	2.4
57.03422	1.0
58.02955	1.5
60.04513	1.3
64.58769	0.8
67.05503	6.2
68.05030	3.1
68.06790	0.9
68.11153	0.8
69.03430	19.5
69.07069	1.6
70.06580	1.2
71.57191	1.6
79.05055	1.5
79.05492	21.0
80.05025	2.9
80.19205	0.9
81.03414	5.3
81.05793	1.5
81.07056	12.8
82.06572	1.7
83.01335	1.8
83.04980	2.1
84.04503	3.3
84.08154	1.1
85.02894	1.1
91.05486	9.0
93.05762	2.4
93.07050	4.4
94.06563	11.0
95.01325	3.0
95.04968	4.0
95.08600	2.8
96.04491	3.0
96.08131	7.0
97.02914	5.7
97.06514	1.9
98.98464	33.6
100.04015	1.0
103.05466	1.4
105.07029	3.3
106.06564	12.3
107.04964	2.6
107.07349	2.0
107.08632	2.1
108.04478	1.5
108.08118	7.1
109.06522	3.8
110.06060	2.3
112.03967	6.4
114.05476	0.9
115.05488	1.2
116.74524	1.0
117.05779	1.6
117.07016	3.4
118.06555	4.3
119.07331	1.4
119.08566	7.7
120.04501	1.4
120.08084	5.6
121.05226	1.2
121.10102	1.1
122.06042	11.5
123.08082	1.7
124.07582	12.1
126.05537	1.6
129.07008	2.0
130.06517	2.4
131.08548	1.5
132.04465	1.1
132.08073	3.0
134.06020	9.5
134.09596	2.0
136.06174	4.7
136.07562	4.5
138.05531	3.9
140.07053	3.5
142.05064	1.1
144.08076	1.4
145.06509	1.2
145.08884	1.6
146.06020	2.7
146.09665	2.5
147.06871	2.0
147.08051	3.4
148.07596	4.1
148.11230	12.1
150.05571	1.6
152.07072	31.0
154.04973	5.2
154.08635	3.4
158.04492	2.0
158.05861	1.0
158.09668	2.1
160.07581	1.8
160.11229	1.4
162.05516	4.2
162.09163	3.7
163.09937	2.2
164.07082	1.7
166.05048	2.3
166.08629	1.3
167.05804	6.1
168.06569	5.4
174.09134	2.7
176.01834	1.0
176.07167	1.0
176.10707	15.8
178.05013	1.8
178.08640	2.9
179.05717	1.1
180.06560	64.2
181.07231	1.2
182.08105	4.5
186.09155	2.7
188.10672	1.5
190.08621	1.6
192.06612	9.5
192.10245	2.5
194.11765	18.2
196.06096	6.0
196.09747	2.2
204.10202	14.5
206.08173	3.7
208.06059	32.5
208.09494	1.4
220.09689	9.1
221.10556	3.7
222.09085	2.1
222.11259	40.7
232.09683	14.7
243.36307	0.9
250.10783	100.0
251.11156	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03940	6.0
55.01860	4.7
55.05506	18.7
57.07065	6.9
59.04999	3.7
65.71912	2.4
67.05509	29.6
69.07064	20.3
69.78662	16.2
71.04986	4.8
71.08633	100.0
79.05500	38.9
81.03410	6.9
81.07059	45.5
81.72702	2.8
83.04969	2.6
83.08628	18.9
85.06542	3.4
91.05487	35.5
91.51082	2.6
93.07047	57.6
95.04955	13.7
95.08617	28.8
97.06538	6.2
97.10138	2.8
99.08099	78.9
105.07030	32.1
107.04959	9.4
107.08601	32.8
109.06523	12.9
109.10146	9.3
111.08080	4.7
117.06997	5.3
119.08591	27.5
121.06482	6.1
121.10141	35.7
123.08076	6.8
129.07002	4.9
131.08580	9.3
133.06512	4.1
133.10144	33.2
135.08047	9.2
135.11694	24.6
137.05994	6.4
137.09630	4.9
139.11157	3.2
143.08572	8.6
145.10124	4.9
147.08044	9.0
147.11694	19.2
149.09601	17.6
149.13251	3.9
151.11180	40.0
157.10129	8.9
159.11650	3.5
161.09628	13.0
161.13268	5.5
163.11082	3.0
167.10657	6.6
171.11713	5.1
175.11151	6.6
175.14784	3.1
179.10745	2.9
185.13232	9.5
189.09106	3.1
189.12822	4.6
189.16389	6.4
193.10123	3.9
193.12210	3.1
203.14301	7.4
203.17966	4.6
207.11789	5.4
207.13753	4.8
213.12743	7.3
213.16365	6.4
219.11684	7.2
231.13832	24.0
231.17314	14.9
249.07446	3.8
249.14702	11.6
249.16414	8.1
249.18530	97.2
258.74448	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	249.185
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03936	5.8
55.01861	1.6
55.05513	19.9
57.07071	2.8
57.21406	1.4
67.05507	29.6
67.59744	1.3
69.07063	21.0
70.98251	3.5
71.04976	3.0
71.99442	1.4
73.06545	1.6
77.03934	1.5
79.05492	93.2
81.07056	37.7
83.04972	2.3
83.08619	8.9
85.06518	5.0
91.05482	35.3
93.07045	100.0
95.04941	6.1
95.08608	25.7
97.06532	2.0
97.10155	2.2
98.21189	2.2
101.05998	2.2
105.07024	27.2
107.08597	43.4
109.06494	3.3
109.10165	13.4
117.06993	5.7
119.08590	20.8
121.10143	44.6
121.11018	2.4
123.08049	2.7
129.06996	5.3
131.08565	6.7
133.09219	2.6
133.10130	30.2
135.08049	1.8
135.11696	44.8
137.09679	1.4
143.08553	2.3
145.10110	5.1
147.08006	2.2
147.11694	27.8
149.09604	3.5
149.13272	8.4
157.10109	6.0
159.11752	2.5
161.09647	4.2
161.13223	4.0
163.11136	1.9
171.11659	8.3
175.11185	4.8
179.10570	2.1
185.13254	1.7
187.14807	3.4
188.04668	2.4
189.12732	2.6
189.16440	12.6
193.12251	5.2
203.07025	4.7
203.14287	6.4
203.17952	3.3
207.13852	3.6
213.16388	10.1
218.40544	1.6
231.06516	4.6
231.17430	7.2
249.18500	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
52.82444	1.7
52.94431	1.8
53.03939	7.0
55.01868	9.1
55.05516	33.5
57.03452	2.1
57.07072	2.5
57.85874	1.7
59.04990	3.6
67.05508	38.6
69.03413	3.1
69.07071	44.8
70.82952	2.7
70.83271	2.5
71.04984	5.6
72.32228	1.7
75.01794	1.7
79.05499	64.1
81.03432	5.4
81.07064	37.0
83.04977	5.9
83.08620	29.4
85.02898	2.2
91.05484	47.8
93.07049	85.5
95.04956	12.1
95.08607	34.9
95.81758	1.8
97.06535	16.3
99.08101	3.4
105.04516	2.0
105.07034	35.4
105.07683	3.6
107.04979	4.0
107.08602	46.6
109.06520	9.5
109.10143	12.9
111.08088	7.6
117.07019	8.8
119.04951	1.8
119.08588	31.7
121.06508	5.2
121.10143	44.2
123.04407	2.1
123.08063	4.7
123.11736	3.8
125.09632	3.3
129.06987	8.0
131.08603	10.9
132.95074	1.9
133.06471	4.2
133.10127	28.7
135.08095	6.2
135.11697	40.4
137.05952	2.8
137.09618	16.1
139.11079	2.8
139.49950	1.8
143.08601	7.3
145.10126	9.4
147.08057	6.3
147.11719	18.9
149.09644	4.0
149.13293	8.6
151.11212	7.4
153.12743	2.4
157.10167	8.5
159.11670	5.1
161.06032	2.4
161.09608	9.6
161.13290	8.2
163.11223	5.0
165.09184	2.7
167.10677	2.4
171.11710	5.7
175.11188	3.3
177.12807	2.5
179.10690	3.4
185.13203	9.8
187.14867	4.6
189.12807	4.1
189.16399	8.2
193.12277	5.2
203.10721	2.4
203.14267	9.2
203.17978	6.6
207.13835	6.2
213.12686	3.4
213.16460	11.2
231.10107	7.2
231.13866	16.3
231.17398	15.1
249.14833	14.9
249.18541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
50.85343	2.0
51.26379	1.9
53.03946	5.0
54.71481	1.8
55.01865	6.5
55.05299	2.0
55.05513	23.8
57.03435	11.9
57.07061	6.0
59.04978	2.0
59.45553	1.9
65.03928	3.2
67.05509	33.7
68.65408	2.1
69.07065	22.2
71.04977	5.8
71.58009	2.2
76.23135	2.6
79.05493	59.0
81.03374	2.5
81.07059	36.0
83.04982	4.3
83.08603	15.0
85.06528	6.4
91.04951	3.7
91.05485	39.5
92.65293	2.1
93.07043	81.0
95.04965	7.3
95.08603	37.9
97.06525	6.9
97.10173	2.8
99.08091	5.2
101.06039	2.1
105.07033	29.8
107.08597	57.2
109.06516	4.3
109.10153	15.9
111.08055	3.8
113.05976	2.3
117.07021	7.8
119.08591	33.2
121.06499	2.6
121.10140	43.8
123.08093	5.9
125.09680	2.6
127.07552	2.1
129.07030	4.3
131.08549	11.7
133.10138	29.7
135.08080	7.5
135.11694	35.6
137.05946	3.4
137.09665	11.6
143.08569	6.0
145.10130	7.7
147.08015	3.3
147.11696	20.9
149.09612	4.4
149.13274	9.1
150.69168	2.2
151.11168	2.8
153.09087	2.8
157.10146	6.6
159.11717	12.4
161.09625	6.5
161.13264	5.0
167.10654	3.7
171.11653	7.6
173.13248	3.3
175.11165	7.0
175.14839	4.5
177.12801	4.5
179.10558	2.9
185.13240	6.9
189.12714	6.0
189.16437	8.8
193.12296	6.7
203.14337	5.6
203.17978	3.5
207.13725	5.5
213.12683	2.6
213.16420	12.2
231.13870	11.6
231.17427	13.2
249.07286	12.2
249.14742	6.7
249.18509	100.0
250.21545	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	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
50.55962	1.0
52.17395	1.0
53.03951	6.3
55.01865	2.0
55.05261	1.7
55.05514	22.7
57.07069	3.3
65.03945	1.5
67.05506	27.5
69.03410	1.6
69.07074	21.1
69.62644	7.2
71.04987	5.6
73.06553	2.0
77.03925	1.3
79.05496	81.9
81.06580	1.5
81.07063	31.8
83.04967	2.5
83.08624	8.5
85.06543	4.4
91.05486	36.3
93.07049	100.0
94.07376	1.2
95.04991	7.2
95.08607	29.3
97.06519	4.1
97.10165	2.2
99.04438	1.3
101.05975	1.3
103.05438	1.6
105.04533	1.7
105.07037	31.8
107.08599	56.5
109.06529	5.4
109.10169	9.8
111.08072	1.9
115.05470	1.1
117.07030	4.3
119.04884	1.3
119.07789	1.8
119.08592	25.3
121.06547	2.3
121.10149	52.5
123.08122	2.6
123.11704	2.4
127.07546	1.3
129.06995	4.5
131.08585	5.4
133.06465	1.4
133.10138	26.5
135.08051	3.0
135.11703	37.0
137.05978	3.2
137.09633	2.0
139.62767	0.9
142.07790	1.9
143.08575	5.8
145.10139	6.3
147.08093	2.3
147.11700	20.8
149.09587	4.1
149.13245	7.8
151.07509	1.3
153.09099	1.9
157.10211	6.1
159.11708	3.0
161.09653	5.8
161.13252	3.3
163.11217	2.1
166.05894	1.0
167.10675	2.3
171.11699	4.4
175.11200	5.0
179.10701	1.5
185.13255	6.2
187.14801	2.3
189.12761	4.0
189.16382	7.0
193.12238	4.0
201.27527	1.1
203.14330	3.8
203.17990	2.8
207.13771	3.7
213.12669	1.4
213.16316	5.4
227.36023	1.0
231.13844	10.9
231.17329	6.6
249.14700	4.0
249.18520	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
71.12438	56.8
71.12763	64.3
97.17187	55.4
98.31423	49.3
101.66504	47.2
103.35905	53.6
126.38364	58.1
129.28499	63.1
137.18694	45.2
141.36487	54.8
172.63004	53.3
217.53932	63.2
249.03868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0693
Annotation	4-Thiazolidinecarboxylic acid
Peak:m/z	Relative Intensity
51.12175	0.5
52.37768	0.5
53.28320	0.5
55.05499	0.9
57.87210	0.5
58.99590	17.0
64.88950	0.5
69.03410	2.0
69.91624	1.9
70.02934	0.9
71.04964	0.6
74.46520	0.6
81.03401	0.9
81.07050	0.8
83.04981	0.7
84.04533	0.5
84.08129	0.7
85.02924	2.5
86.00658	19.8
86.99059	6.8
87.00826	0.7
88.03993	6.6
91.05473	2.7
95.08579	0.6
97.02890	1.2
98.20881	0.8
99.04483	0.6
100.11244	1.3
105.00108	2.7
105.07021	1.2
107.08614	1.2
109.02845	1.0
117.05778	1.2
118.06547	56.3
119.08566	0.9
120.08117	1.3
127.03902	1.4
130.05571	1.1
130.06535	18.8
131.08562	0.5
132.01155	22.3
136.06174	2.0
136.07613	0.7
139.11145	0.5
142.06506	0.8
143.06244	0.8
143.07304	3.9
143.08467	1.0
144.06833	0.7
144.08043	1.4
145.07613	44.8
146.06010	2.1
155.07060	0.7
156.06807	4.6
157.07619	1.7
157.10130	0.7
158.08453	0.9
160.02170	25.3
161.09576	0.5
162.03741	20.5
163.04192	0.7
169.07634	4.6
170.08408	1.6
171.09244	1.2
176.05304	1.1
177.04790	1.0
185.13206	0.6
186.03769	3.6
203.04526	1.0
203.06381	17.7
203.14359	0.6
213.12729	0.8
231.13779	2.1
249.06944	100.0
249.14659	3.1
249.18726	1.1
250.06944	0.6
251.97171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1645
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
55.05499	0.4
55.61690	0.2
63.96251	0.2
78.24160	0.2
83.04980	1.3
84.05308	0.4
84.08112	0.3
91.05449	0.2
95.80715	0.2
114.78754	0.2
117.05753	0.3
118.05696	0.3
118.06541	5.8
119.07397	0.2
119.08551	0.3
120.08080	0.2
131.07294	0.2
132.08076	2.6
133.08833	0.6
134.09631	0.7
136.06201	0.3
144.08051	0.4
145.08975	0.2
146.09630	2.0
147.10345	0.2
159.10364	0.2
159.72466	0.2
160.11171	0.5
174.12782	1.0
176.14340	13.8
177.14746	0.2
178.78740	0.2
190.08632	11.7
191.09282	0.3
202.15907	2.4
203.16696	1.1
204.10196	6.1
205.10936	1.7
212.11563	0.4
218.11751	4.5
230.12514	1.4
232.13358	0.3
235.09189	0.2
248.16449	100.0
249.16788	0.9
269.21024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93010	0.3
55.05506	1.8
55.91915	0.4
57.03431	0.4
59.05001	1.6
66.63820	0.5
69.07070	8.1
69.77291	1.7
70.06594	0.5
71.05027	0.3
71.08201	0.4
73.06561	5.3
80.05004	0.6
83.04975	0.4
84.04489	1.4
87.04456	0.8
91.05478	0.9
92.04991	0.7
93.05778	0.7
97.06518	0.7
98.06065	0.9
98.21248	1.2
101.01713	1.5
106.06594	0.5
107.08556	0.6
115.05456	1.0
117.07037	1.7
118.06544	11.6
118.07343	0.8
119.07328	10.3
128.04959	0.5
130.04956	0.4
132.08070	0.8
132.47444	0.5
134.09656	96.5
135.09998	0.8
136.06197	1.4
146.06029	0.5
155.13728	0.4
162.03714	2.0
175.05327	0.4
184.06108	0.5
187.03223	0.9
230.10295	0.9
248.11386	2.4
248.16463	100.0
249.16805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96290	2.5
56.96568	50.4
59.93086	1.2
69.57417	5.0
69.57830	2.7
70.98093	1.6
71.95267	4.5
72.08128	1.7
72.96051	2.7
83.97631	2.1
84.08138	4.1
84.96042	1.9
85.99198	1.3
86.09698	7.5
87.10049	1.3
98.97588	100.0
112.00750	3.1
116.98622	58.0
119.01897	1.4
120.02055	2.3
130.01791	3.7
132.03317	1.5
134.01259	2.1
134.99663	20.0
137.92845	1.2
140.03809	1.8
146.99641	1.9
153.00734	2.2
158.04865	2.6
160.06456	3.9
165.00720	1.5
188.06024	2.2
189.04399	6.2
206.01559	6.4
206.07043	9.8
207.05476	3.3
216.00528	1.4
224.02681	14.1
224.06253	1.5
224.08055	7.8
230.07027	31.6
231.05406	2.0
248.08093	58.8
266.09302	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	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.96240	1.2
55.01865	3.6
55.05293	1.5
55.05515	16.8
56.05001	1.4
57.03425	4.0
59.05000	1.8
65.03941	2.4
67.05509	17.3
69.03425	5.3
69.07064	13.0
70.06589	3.2
71.04994	3.8
71.57249	1.3
79.05494	19.6
81.07052	21.0
83.04978	23.7
83.08588	1.9
84.08108	1.4
84.50096	1.2
85.06538	4.0
91.05479	44.3
93.07041	19.9
95.04984	6.3
95.08610	14.2
97.06535	3.0
98.21101	1.5
99.08052	1.9
101.06025	2.1
103.05482	2.1
105.07027	53.2
107.04934	2.9
107.08605	13.0
109.06525	4.1
109.10167	4.1
114.03706	2.0
115.05439	2.3
116.06239	2.3
117.07019	21.1
119.08586	43.5
121.02908	2.0
121.06491	6.2
121.10134	7.0
123.04445	1.8
123.08034	2.5
128.06197	2.6
129.07011	13.1
130.06543	4.9
130.07684	1.7
131.08571	35.1
131.55598	1.2
133.10136	28.4
135.08069	8.7
135.11673	3.4
137.05991	1.4
137.09599	1.6
139.03928	2.4
141.06990	4.5
142.07741	2.7
143.08560	11.3
144.09285	1.5
145.06485	6.1
145.09027	2.8
145.10126	45.2
147.08032	4.6
147.11688	20.2
149.09624	7.5
150.39404	1.4
155.08580	6.7
157.10133	15.6
159.08051	6.9
159.11711	19.0
161.09567	3.5
161.13255	2.2
163.11220	1.9
168.09344	3.9
169.10149	7.7
171.11731	2.7
172.08780	2.9
173.09587	8.5
173.13246	11.9
175.11192	14.9
183.11716	9.9
185.13211	11.3
186.10451	1.6
187.07483	2.0
187.11172	5.5
187.14835	18.3
188.03513	1.5
191.10675	4.3
191.14378	2.1
196.08917	3.2
201.12732	12.0
201.16391	9.6
203.10742	1.9
211.11197	5.8
211.14806	9.6
215.06741	2.3
229.12260	21.7
229.15855	21.2
247.05917	2.3
247.09183	4.3
247.13280	20.6
247.16940	100.0
247.24493	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
53.23074	0.6
53.69911	0.6
55.01875	6.6
55.05264	0.7
55.05513	14.1
55.51045	0.7
57.03429	1.9
61.01120	0.8
65.03926	2.3
66.39408	0.5
66.68919	0.6
67.05508	17.1
68.05009	1.5
69.03136	0.7
69.03433	8.3
69.07070	11.1
70.06590	1.0
70.27350	2.8
71.04997	4.2
73.06543	1.1
77.03906	0.8
79.05493	24.1
81.03410	1.5
81.07059	28.5
83.04982	35.8
83.08622	5.2
85.06533	1.8
85.83855	0.7
86.06047	1.2
86.09690	0.9
91.05483	34.4
93.06465	1.1
93.07044	19.8
95.04977	11.1
95.08046	1.0
95.08610	13.3
97.06525	7.8
97.10172	1.1
99.08068	2.8
103.05450	1.5
105.07032	41.5
107.04961	6.8
107.08593	17.7
109.06517	8.8
109.10139	3.9
111.04420	0.8
111.08086	1.5
114.03758	0.7
115.05439	1.6
117.07014	17.4
119.08578	29.3
120.04715	0.6
121.02905	1.0
121.06480	5.9
121.10148	8.2
121.97218	0.6
123.04391	1.5
123.08087	4.6
123.11716	1.0
125.09612	2.1
127.07627	0.8
128.06219	2.1
129.07022	6.4
130.07784	2.0
131.08571	27.2
133.06490	2.7
133.10129	23.7
135.08051	13.8
135.11668	1.7
137.09601	5.0
139.03889	3.2
139.07532	1.0
141.06975	5.8
142.07768	2.1
143.08568	9.2
144.09312	0.9
145.06479	6.6
145.10123	30.9
146.10950	0.6
147.08057	6.1
147.11700	8.4
149.07524	1.2
149.09615	19.4
151.07558	0.7
151.11169	3.4
153.06989	2.1
154.07762	1.2
155.08542	7.7
156.09315	0.7
157.10138	6.3
158.10953	1.2
159.04399	1.8
159.08073	7.5
159.11703	11.7
160.12518	0.9
161.09650	3.8
161.13229	1.6
163.11188	6.9
165.09105	3.1
166.30312	0.6
167.08467	1.5
168.09337	5.1
169.06299	0.9
169.10115	9.3
171.08084	1.3
171.11658	2.1
172.08862	1.8
173.05991	3.3
173.09570	4.2
173.11897	0.8
173.13278	6.6
175.11169	1.7
175.14879	0.8
177.09148	2.6
179.10588	0.8
181.06477	1.5
182.07278	1.8
182.10886	1.0
183.08035	1.6
183.11687	8.7
185.05879	0.7
185.09656	1.5
185.13246	6.3
186.10434	1.9
187.07610	1.4
187.11200	9.1
187.14824	12.7
189.12730	1.3
193.10153	1.6
195.08092	0.8
196.08838	6.4
199.11166	1.4
200.08289	1.6
201.09140	1.5
201.12753	9.8
201.16373	14.0
205.12183	1.4
205.15791	1.0
211.11168	8.3
211.14801	10.3
213.52904	0.6
214.09975	0.8
219.17407	3.6
229.12244	26.6
229.15822	25.8
239.05923	0.8
245.68369	0.7
247.05775	2.0
247.13266	16.0
247.16933	100.0
248.17281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03937	1.6
53.23074	0.6
53.69911	0.6
55.01875	6.6
55.05264	0.7
55.05513	14.1
55.51045	0.7
57.03429	1.9
61.01120	0.8
65.03926	2.3
66.39408	0.5
66.68919	0.6
67.05508	17.1
68.05009	1.5
69.03136	0.7
69.03433	8.3
69.07070	11.1
70.06590	1.0
70.27350	2.8
71.04997	4.2
73.06543	1.1
77.03906	0.8
79.05493	24.1
81.03410	1.5
81.07059	28.5
83.04982	35.8
83.08622	5.2
85.06533	1.8
85.83855	0.7
86.06047	1.2
86.09690	0.9
91.05483	34.4
93.06465	1.1
93.07044	19.8
95.04977	11.1
95.08046	1.0
95.08610	13.3
97.06525	7.8
97.10172	1.1
99.08068	2.8
103.05450	1.5
105.07032	41.5
107.04961	6.8
107.08593	17.7
109.06517	8.8
109.10139	3.9
111.04420	0.8
111.08086	1.5
114.03758	0.7
115.05439	1.6
117.07014	17.4
119.08578	29.3
120.04715	0.6
121.02905	1.0
121.06480	5.9
121.10148	8.2
121.97218	0.6
123.04391	1.5
123.08087	4.6
123.11716	1.0
125.09612	2.1
127.07627	0.8
128.06219	2.1
129.07022	6.4
130.07784	2.0
131.08571	27.2
133.06490	2.7
133.10129	23.7
135.08051	13.8
135.11668	1.7
137.09601	5.0
139.03889	3.2
139.07532	1.0
141.06975	5.8
142.07768	2.1
143.08568	9.2
144.09312	0.9
145.06479	6.6
145.10123	30.9
146.10950	0.6
147.08057	6.1
147.11700	8.4
149.07524	1.2
149.09615	19.4
151.07558	0.7
151.11169	3.4
153.06989	2.1
154.07762	1.2
155.08542	7.7
156.09315	0.7
157.10138	6.3
158.10953	1.2
159.04399	1.8
159.08073	7.5
159.11703	11.7
160.12518	0.9
161.09650	3.8
161.13229	1.6
163.11188	6.9
165.09105	3.1
166.30312	0.6
167.08467	1.5
168.09337	5.1
169.06299	0.9
169.10115	9.3
171.08084	1.3
171.11658	2.1
172.08862	1.8
173.05991	3.3
173.09570	4.2
173.11897	0.8
173.13278	6.6
175.11169	1.7
175.14879	0.8
177.09148	2.6
179.10588	0.8
181.06477	1.5
182.07278	1.8
182.10886	1.0
183.08035	1.6
183.11687	8.7
185.05879	0.7
185.09656	1.5
185.13246	6.3
186.10434	1.9
187.07610	1.4
187.11200	9.1
187.14824	12.7
189.12730	1.3
193.10153	1.6
195.08092	0.8
196.08838	6.4
199.11166	1.4
200.08289	1.6
201.09140	1.5
201.12753	9.8
201.16373	14.0
205.12183	1.4
205.15791	1.0
211.11168	8.3
211.14801	10.3
213.52904	0.6
214.09975	0.8
219.17407	3.6
229.12244	26.6
229.15822	25.8
239.05923	0.8
245.68369	0.7
247.05775	2.0
247.13266	16.0
247.16933	100.0
248.17281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03937	2.7
53.08418	0.7
55.01666	0.8
55.01871	8.6
55.05509	19.4
57.03426	3.2
59.04993	1.4
61.00872	0.9
61.01152	11.7
65.03925	2.3
66.23236	0.8
67.05170	1.3
67.05503	18.5
68.05016	1.5
69.03432	9.2
69.06730	0.7
69.07073	11.9
69.31212	0.7
69.55970	3.7
69.56388	1.8
71.05003	3.7
72.04503	1.4
72.08141	1.3
73.06539	1.4
73.62363	1.0
76.87687	0.8
77.03905	1.1
78.03783	2.7
79.05492	25.8
81.03429	0.9
81.07054	51.5
82.68827	0.7
83.04980	52.6
83.08605	5.3
84.08139	1.2
85.06538	2.1
86.05568	1.0
86.06068	13.6
87.02681	5.0
88.03941	0.8
91.05478	38.8
92.16795	0.8
93.07045	24.2
94.06508	0.8
95.04972	12.5
95.08605	14.0
97.06526	8.9
98.06049	1.1
99.04472	0.8
99.08094	4.2
102.03774	4.7
103.02177	2.0
103.05477	1.9
105.07033	46.3
107.04952	8.3
107.08591	16.0
109.06516	11.2
109.10159	3.8
111.08076	2.2
113.05980	0.8
114.03745	2.5
115.05671	2.3
115.08661	2.5
116.06231	1.3
117.07021	19.5
119.08583	35.7
120.04810	4.6
121.02824	1.4
121.06506	7.9
121.10145	8.5
123.04427	2.4
123.08078	5.0
128.06241	2.3
129.07005	6.7
130.07805	1.5
131.06409	1.8
131.08571	25.5
132.04813	1.5
133.06488	3.3
133.10136	24.1
135.08054	15.6
135.11661	1.5
137.09616	5.6
139.03943	5.0
139.07541	1.7
141.06987	6.4
142.07764	2.9
143.08566	8.4
144.09320	1.5
145.06503	7.7
145.10121	30.7
147.08032	8.0
147.11674	8.0
149.07460	13.9
149.09619	18.7
149.13173	1.0
151.11177	3.5
153.06918	2.1
153.09023	1.0
154.07741	1.7
155.08551	9.9
157.06476	1.0
157.10138	6.6
158.07324	1.2
158.09926	5.2
159.04417	2.7
159.08275	20.4
159.11665	13.0
161.09608	4.9
161.13210	2.1
163.07588	1.0
163.11169	6.4
165.09125	1.9
167.08595	1.9
168.09340	6.1
169.10126	9.1
171.08051	2.4
171.11696	2.6
172.08804	1.7
173.05957	4.8
173.09621	4.5
173.13257	7.3
175.11172	2.2
177.09106	3.1
177.12767	1.1
178.07678	0.9
179.10587	1.2
181.06468	1.9
182.07220	1.5
183.08020	1.0
183.11688	12.7
185.05957	1.0
185.09654	2.0
185.13275	6.4
186.10396	2.6
187.07535	2.5
187.11198	9.7
187.12659	1.1
187.12970	0.9
187.14809	13.5
189.12762	1.6
191.10689	1.3
193.10147	2.1
194.23721	0.9
195.07938	0.9
196.08833	5.7
199.07518	0.9
200.08362	0.8
201.09102	1.0
201.12776	12.4
201.16399	11.3
203.10547	1.1
203.14301	1.4
205.12288	2.7
211.11189	14.5
211.14774	11.5
219.17470	3.0
220.66277	0.9
229.12033	34.4
229.15671	23.6
230.12169	1.1
232.13269	1.0
247.05901	2.6
247.12985	20.0
247.16931	100.0
248.16869	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	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.45483	1.2
53.03939	2.9
55.01865	5.3
55.05510	15.1
57.03432	2.0
65.03921	2.0
67.05503	16.0
69.03431	4.9
69.07072	14.4
70.97533	3.4
71.05019	3.4
78.91457	1.3
79.05499	26.1
81.07059	37.4
83.04984	20.0
83.08605	4.1
85.06555	2.5
91.05485	36.2
93.07056	22.1
95.04951	9.7
95.08614	12.7
96.84959	1.5
97.06524	5.4
98.21186	1.7
99.08102	2.5
103.05470	2.6
105.07032	41.9
107.04965	5.8
107.08597	15.6
109.06529	14.9
109.10143	4.8
111.08108	3.7
115.05440	1.8
117.07034	13.0
119.08587	26.7
121.02905	2.6
121.06521	4.5
121.10130	7.4
123.08078	3.3
128.06212	1.7
128.22522	1.4
129.07021	5.6
130.06453	1.7
131.08582	26.0
133.10146	21.1
135.08051	15.5
135.11700	2.2
137.09627	3.8
139.03926	2.1
141.07001	3.9
142.07748	1.8
143.08549	6.5
145.06451	3.4
145.10129	32.7
147.08035	5.6
147.11679	9.6
149.09637	12.2
153.09180	1.8
155.08549	3.9
157.10130	3.0
159.08067	3.9
159.11705	11.1
161.09653	4.6
161.13205	2.0
163.11194	4.5
165.09090	3.6
168.09381	3.4
169.10126	4.4
171.11635	2.6
173.06039	2.3
173.09650	3.0
173.13278	2.6
175.04025	1.5
175.11160	2.2
177.09093	3.8
183.11681	6.8
185.13242	5.9
187.11192	7.5
187.14798	9.0
191.10666	2.2
196.08809	2.6
201.12776	5.7
201.16429	11.5
205.15883	2.5
211.11221	5.3
211.14809	9.2
219.17421	2.4
229.12286	14.1
229.15849	21.0
247.06039	1.7
247.13293	11.1
247.16956	100.0
247.24577	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	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03939	1.9
55.01862	3.3
55.05514	14.2
57.03419	3.4
57.07063	2.8
59.04992	1.1
65.03922	1.5
67.05170	1.2
67.05504	15.3
69.03427	7.3
69.07072	7.7
70.06580	3.0
70.10126	4.3
71.04983	4.5
77.03947	0.9
79.05492	16.1
81.03402	1.3
81.07063	19.6
83.04980	37.0
83.08604	2.4
85.06525	3.5
87.04464	1.2
88.07603	3.8
91.05480	38.6
93.07040	15.7
95.04968	4.5
95.08601	12.7
96.21733	0.8
97.06500	3.0
99.08080	1.0
101.06004	1.5
103.05473	1.9
103.51930	0.8
104.06262	1.0
104.12617	0.8
105.07030	45.0
106.08663	1.7
106.74100	0.9
107.04941	2.6
107.08581	9.8
109.06505	7.0
109.10152	3.2
111.08093	2.0
115.05426	3.1
116.06283	1.1
117.07017	23.6
119.08582	41.0
121.02898	1.6
121.06548	7.1
121.10146	4.9
123.04407	2.4
123.08047	2.2
128.06230	2.0
129.06995	12.1
130.07779	1.7
131.08568	28.2
132.09317	1.6
133.06483	2.7
133.10135	20.5
135.04375	1.5
135.08018	5.9
135.11716	1.9
135.55333	0.9
137.09596	1.2
139.03879	3.5
139.07515	1.5
141.07025	6.3
142.07773	3.3
143.08557	8.0
144.09277	1.1
145.06506	4.4
145.10127	35.1
147.08023	7.2
147.10597	1.6
147.11684	13.8
149.09586	5.1
153.06950	2.4
154.07748	1.5
155.08565	9.6
157.10120	12.7
158.10832	1.8
159.04430	1.0
159.08127	6.2
159.09193	0.9
159.11696	14.9
160.35867	1.0
161.09590	3.3
161.13240	2.0
163.11160	3.2
165.09102	1.2
167.08540	1.0
168.09317	4.1
169.10117	8.6
171.07997	1.3
171.11670	2.6
172.08862	2.2
172.12509	0.9
173.06064	2.1
173.09592	5.5
173.13242	10.6
175.11168	10.7
177.09108	2.6
177.14674	3.4
178.19824	0.8
179.10664	1.0
181.10190	1.2
182.07254	1.7
182.10815	1.3
183.08063	0.8
183.11700	12.7
183.13257	1.5
185.09587	2.2
185.13268	10.8
186.10416	1.1
187.07536	1.3
187.11215	8.3
187.14801	11.1
191.10696	1.8
193.10075	1.4
196.08818	5.4
199.11102	1.4
201.00713	0.9
201.12747	11.2
201.16379	8.2
205.12186	1.9
211.11179	7.2
211.14780	13.5
214.09900	1.1
219.13828	1.0
229.12268	29.0
229.15837	22.6
229.23587	2.1
247.06081	2.1
247.13280	21.4
247.16919	100.0
247.22430	3.9
247.24615	32.7
248.17166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03942	2.1
53.95285	1.3
55.01870	2.9
55.05514	24.9
57.07071	1.9
65.03950	3.2
67.05509	23.0
69.03436	18.6
69.07068	8.7
69.81248	7.7
70.09165	1.2
71.04998	3.5
72.23795	1.4
79.05132	0.9
79.05495	40.7
81.07060	33.2
83.04987	92.3
83.08614	4.7
85.06541	2.2
91.05486	46.2
92.59888	1.3
93.07050	38.3
95.04974	11.0
95.08608	14.8
97.06561	5.4
103.05479	2.6
105.07038	40.7
107.04967	6.6
107.08598	24.6
109.06548	8.9
109.10168	7.4
111.08076	2.5
115.05447	3.9
117.07024	29.3
119.04945	1.4
119.08588	39.0
119.65050	1.4
121.02898	3.3
121.06533	9.9
121.10159	12.1
123.04438	4.9
123.08075	3.7
123.11768	1.7
128.06207	2.5
129.07013	9.5
130.07814	1.6
131.08583	67.6
133.06471	4.3
133.10136	29.1
133.11081	2.7
135.04416	1.7
135.08060	4.7
135.11679	2.9
139.03903	8.3
139.07608	2.4
141.07011	7.2
142.07796	5.0
143.08545	11.4
144.09343	2.9
145.06497	11.6
145.10135	46.4
147.08057	11.8
147.11673	7.7
149.09634	24.9
151.07523	2.2
151.11195	1.5
153.07010	5.6
154.07803	1.7
154.50063	1.5
155.08557	11.8
157.06427	1.4
157.10129	13.0
158.10887	2.2
159.04442	3.5
159.08060	16.0
159.11699	35.7
161.09639	3.9
161.13297	1.9
163.07626	1.5
165.09058	1.9
167.08630	2.5
168.09360	12.6
169.10135	6.2
171.08092	3.8
171.11685	3.4
172.08833	5.0
172.12558	1.6
173.05983	10.4
173.09604	7.3
173.13272	24.9
173.14699	2.5
175.03926	1.6
175.11327	1.6
177.09062	3.6
178.07799	1.5
181.06483	2.7
182.07333	1.4
182.10918	1.8
183.08089	3.9
183.11682	21.0
185.09615	5.2
185.13232	14.2
186.10419	4.3
187.11212	11.3
187.14821	6.2
191.10735	4.1
193.10130	3.9
196.08852	13.2
199.07593	2.4
200.08405	2.8
201.12762	21.0
201.16397	100.0
205.12329	4.6
211.11200	30.6
211.14690	10.0
214.09984	2.6
219.09558	2.0
219.13901	1.5
220.10359	2.2
229.12273	78.6
229.15819	36.4
247.06023	4.9
247.11407	4.0
247.13350	45.4
247.16983	88.4
247.24310	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
50.49111	1.4
51.68816	1.3
53.03948	4.3
55.01877	3.3
55.05517	10.4
57.03447	2.4
57.07048	2.6
62.41466	1.4
65.03930	6.5
67.05502	8.3
69.03430	25.6
69.07065	4.1
69.75804	1.3
70.06618	1.6
71.04974	1.6
71.06593	2.5
72.08148	2.0
79.05498	14.0
81.03423	1.7
81.07056	13.4
83.04987	33.6
83.08617	2.1
84.08137	2.2
85.02901	2.1
87.02644	1.5
91.05479	21.0
93.03416	3.7
93.07044	18.9
95.04967	9.1
95.08613	5.4
96.22165	1.4
97.02887	9.0
97.06534	3.0
98.21064	2.2
99.04475	1.5
100.16723	1.3
105.07031	24.7
107.04968	4.9
107.08606	21.0
109.02878	12.4
109.06542	12.8
109.10157	3.9
111.04440	5.1
111.08105	1.8
114.03775	1.6
115.05443	4.6
117.07016	16.2
119.08595	23.1
120.08110	1.7
121.02870	5.8
121.06500	17.1
121.10155	8.9
123.08083	4.3
125.06026	1.3
128.06252	3.1
129.06996	8.5
130.07809	2.4
131.08559	24.4
132.05707	3.0
133.06509	3.3
133.10133	13.9
135.08054	35.5
137.06006	5.3
137.09644	3.9
139.03897	3.4
141.07021	2.9
142.07758	3.4
143.08569	15.4
144.09334	10.7
145.06476	15.2
145.10135	19.8
146.07240	1.4
147.08116	6.9
147.11710	3.6
149.06013	2.2
149.09619	27.2
150.10396	3.2
151.11214	3.1
153.07018	3.4
154.07787	1.9
155.08569	7.9
156.09361	2.4
157.10143	5.7
158.07234	4.5
158.10939	9.9
159.08066	15.6
159.11697	31.7
160.08899	3.7
161.09642	5.1
163.07541	20.9
163.11188	4.9
165.09074	2.4
167.08577	2.9
168.09364	6.0
169.10103	4.1
170.10925	6.2
171.08011	6.8
171.11778	2.5
172.08824	17.5
173.05978	5.1
173.09631	35.3
173.13274	32.1
175.07588	1.9
181.06488	3.8
182.07190	1.5
183.11719	13.2
185.09679	3.0
185.13283	5.0
186.10413	24.6
187.11192	100.0
189.09132	3.5
191.07042	38.8
193.10199	1.8
196.08809	6.6
199.07603	3.6
201.09233	2.8
201.12749	63.4
201.16396	2.3
203.14313	1.9
205.08646	1.6
205.12297	7.8
211.11215	15.9
211.14706	1.5
214.09882	2.8
219.13800	6.2
224.03679	1.7
229.12247	82.6
229.15584	7.4
247.05875	2.9
247.13318	93.5
247.16957	19.8
247.20471	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52346	1.2
64.80334	1.1
70.02120	1.0
70.77548	3.5
102.58486	1.0
157.02718	1.0
215.00748	1.2
216.60808	1.2
220.40590	1.1
229.03206	26.0
247.04262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70243	0.5
55.05514	1.6
56.05050	1.3
56.96568	61.3
57.03443	0.9
57.07074	0.9
60.04510	0.5
61.02926	1.8
67.05508	1.5
69.03432	1.1
69.07075	1.7
69.83796	2.6
70.06612	3.1
70.98124	51.7
71.95277	1.4
72.08155	4.5
74.02449	2.8
74.97614	6.8
75.65654	0.6
79.05466	0.6
80.22216	0.5
82.02943	1.0
82.06580	1.7
83.04980	4.9
84.04516	6.1
84.08148	26.4
84.96043	1.4
85.02895	0.8
85.06561	2.3
85.08499	1.3
86.09709	24.9
86.97617	1.4
88.03996	5.9
88.99165	42.7
90.03787	1.8
91.05497	0.9
92.98663	1.5
93.07066	0.6
97.99181	1.2
98.20998	1.7
98.97586	22.5
100.07627	1.3
100.99139	0.6
101.00904	0.8
102.09190	4.2
103.00659	0.6
106.99541	1.0
107.00213	9.3
109.06504	1.2
110.02417	1.1
110.06037	0.7
110.97584	1.2
111.08046	0.6
113.10767	1.6
115.00661	1.2
116.07079	0.8
116.98631	16.4
118.03278	1.0
118.05055	0.9
118.08675	1.0
119.01932	3.6
119.04949	0.6
120.02019	0.7
120.42274	0.6
121.01684	2.4
123.08144	0.5
125.01249	0.9
128.98598	22.7
129.07001	0.6
129.10265	0.9
130.05019	1.7
130.08723	0.8
131.00159	1.1
131.01926	1.0
132.10196	5.3
133.01680	1.5
133.03473	0.8
134.99667	8.1
136.06133	0.6
138.09187	0.7
139.02773	0.7
141.01263	0.8
141.02275	1.1
141.06929	0.6
141.10248	2.2
144.98083	1.1
145.01733	1.3
145.06506	0.8
145.10127	0.8
146.04155	0.5
146.99658	83.1
147.04407	1.9
147.08022	0.8
149.01205	1.0
150.01787	0.8
153.00679	0.8
155.08553	0.7
156.98076	0.9
158.99626	1.4
159.03195	3.5
159.08075	0.8
161.01205	1.8
161.02950	1.6
161.09604	0.5
162.99158	1.6
163.02747	2.4
165.00728	100.0
166.08649	2.0
170.01271	2.0
173.04674	0.7
174.99152	4.2
175.02841	1.6
177.00732	2.1
177.04341	4.9
179.02289	2.3
183.00035	1.1
183.01772	11.5
183.11526	1.8
184.09767	0.9
185.06544	0.7
186.99135	3.2
187.02649	1.1
187.10846	1.6
188.02275	3.0
188.06694	0.6
190.98581	0.8
193.00221	3.8
193.03636	0.9
196.08803	0.7
197.03346	0.9
200.05919	0.6
201.00731	1.0
201.02478	2.0
201.12386	4.9
202.10680	0.6
203.02286	2.7
205.00212	46.2
205.03798	2.1
207.01889	0.7
211.11090	1.4
212.09215	1.8
219.01756	0.9
221.03108	14.7
223.01247	44.1
224.03954	0.7
224.05925	0.8
228.01768	2.0
229.12207	5.8
230.04968	0.6
230.10245	1.7
239.04149	1.6
241.02168	1.0
242.06786	1.0
246.02872	1.2
247.01244	1.6
247.04546	6.7
247.07056	1.1
247.13167	5.8
247.15945	1.2
247.18427	1.2
265.02249	0.8
265.05838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1489
Annotation	(+)-Sattazolin
Peak:m/z	Relative Intensity
70.83041	0.3
71.12636	0.1
84.08154	0.2
86.09678	0.2
98.21468	0.2
102.08545	0.1
115.05463	0.2
117.05779	0.2
117.07077	0.2
118.06532	0.5
126.55824	0.2
129.06990	0.4
130.06563	0.8
131.08536	0.3
132.08110	0.6
134.14375	0.1
142.06519	1.0
144.08107	0.9
146.05998	0.8
156.08095	0.5
158.09660	0.6
159.09203	1.2
169.55452	0.1
170.06010	0.3
170.09676	0.3
172.11200	0.3
187.06268	0.3
188.07076	26.8
189.07584	0.7
200.07071	0.5
200.14330	0.2
201.10229	0.5
202.08633	11.8
202.15944	0.4
203.09389	2.3
204.10159	1.0
204.38437	0.2
216.10210	7.6
217.10887	0.3
230.11694	0.8
246.14903	100.0
247.15225	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
53.19506	0.3
56.05035	0.3
69.07066	1.5
70.06563	0.2
70.25105	1.1
80.05027	0.3
82.06120	0.3
82.06561	0.5
84.08152	3.0
86.09705	100.0
86.68874	0.3
98.21194	0.5
100.36227	0.3
129.10255	2.1
132.10214	3.0
141.93793	0.3
142.03214	1.1
199.18016	1.5
225.09894	0.3
226.11905	0.8
244.13058	0.4
245.08411	0.4
245.18594	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	246.145
Annotation	H-Leu-Asn-OH
Peak:m/z	Relative Intensity
54.12685	1.8
55.05505	4.0
56.05019	3.1
56.53750	2.0
56.96570	16.2
66.77180	1.8
67.05506	3.0
68.05003	2.8
69.03411	4.7
69.07069	57.2
70.02953	20.9
70.03833	1.8
70.06596	19.5
71.57650	2.7
72.08163	14.7
73.02927	2.9
73.06532	6.1
81.07041	3.0
82.02941	2.6
83.04984	13.8
84.04517	14.0
84.08149	56.8
85.02892	2.8
85.04035	19.5
86.09711	81.6
87.05069	4.2
87.05595	83.6
88.03989	4.6
88.07618	2.4
93.07005	2.4
95.04974	2.2
96.04481	4.7
96.08131	6.0
97.06505	4.2
98.02422	25.1
98.97541	3.7
100.30612	2.0
101.95029	3.7
102.96854	7.1
108.08117	2.1
109.06561	2.9
109.51200	11.2
110.02406	72.4
110.09673	3.9
113.10019	3.0
113.10776	52.1
113.11555	3.8
114.05546	4.3
114.06601	2.4
114.77799	1.8
116.05313	2.4
116.07043	2.4
116.98593	3.0
118.51705	13.4
120.08127	3.1
120.97906	5.8
123.04426	3.5
124.03965	16.1
124.07539	2.4
129.10242	9.6
130.04988	3.2
130.08640	5.6
131.05302	2.2
132.10220	20.9
138.09125	7.2
138.98994	2.2
141.10240	96.7
142.04990	5.8
143.11758	10.9
144.04771	4.0
144.50536	8.8
147.11330	11.1
149.03181	3.3
155.11777	10.0
156.10258	5.2
156.13820	7.4
157.52306	2.2
163.02139	14.2
163.52307	2.9
164.51434	2.3
165.00604	2.4
166.08643	93.3
169.09746	10.1
171.11272	2.3
172.02640	5.7
174.03842	2.6
175.11960	3.9
183.11328	14.4
184.09709	5.1
185.10063	2.5
187.10789	70.0
200.12044	2.8
200.13960	28.9
201.12503	5.6
202.10777	24.5
202.12535	3.3
202.14261	2.4
211.10756	11.2
212.09195	100.0
228.13329	4.7
229.11871	55.2
229.15396	4.4
241.05861	2.4
246.00861	5.8
246.11972	4.8
246.15425	9.7
246.18137	13.1
247.13264	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	245.1537
Annotation	CHEBI:67919
Peak:m/z	Relative Intensity
53.03944	2.0
55.01872	13.0
55.05507	5.1
57.03435	1.1
65.03941	1.6
67.05501	11.3
69.03458	1.0
69.06718	1.7
69.07068	24.7
69.32799	1.9
69.33193	8.4
70.06580	1.2
78.45884	0.9
79.05491	17.3
81.07059	17.4
83.04975	2.5
83.08601	1.3
84.08124	1.5
86.09693	2.7
91.05482	35.6
93.07039	15.6
95.04958	3.8
95.08618	7.3
97.06522	12.7
97.10184	1.1
98.21267	4.2
103.08248	1.0
105.07026	20.8
107.04949	3.8
107.08598	6.3
109.06516	3.1
109.10144	1.2
111.08092	1.1
115.05437	4.8
117.05728	1.2
117.07030	12.7
119.08580	62.4
121.06454	2.4
121.10139	4.1
123.04408	4.8
123.08054	1.7
123.09361	0.9
128.06204	6.7
129.07001	17.4
131.08554	20.4
133.06476	5.1
133.10117	9.9
135.08046	6.0
141.06985	2.6
142.07774	6.1
143.08565	22.6
144.09373	1.2
145.06543	1.6
145.10110	9.9
147.06911	1.8
147.08041	22.9
147.11673	3.6
149.09624	7.2
155.08554	4.5
156.09344	3.4
157.06511	1.8
157.10132	22.2
159.08057	3.9
159.11681	2.7
161.05931	1.4
161.09615	10.1
161.13258	2.2
163.07402	1.4
165.06947	1.1
165.09123	1.0
166.07697	1.3
167.08548	1.9
169.10126	1.9
170.10858	2.0
171.08041	2.3
171.11668	11.0
173.09595	1.9
173.13240	2.2
175.07567	8.4
175.11095	2.2
177.09097	9.9
179.07037	13.8
181.10132	2.7
183.11732	3.2
184.08914	1.3
184.12486	1.8
185.09634	3.8
185.13245	2.3
187.11145	1.1
187.14873	1.5
189.05408	2.2
189.09132	7.0
189.12733	2.1
189.16345	2.1
199.11177	6.5
199.14822	43.8
201.09065	1.1
201.12746	2.8
201.16339	1.0
203.10657	2.5
203.14214	1.6
209.13232	4.8
212.08354	1.2
212.11977	1.0
215.14307	2.2
217.08888	2.7
217.12276	2.3
217.15862	10.1
218.09636	3.8
227.10634	4.0
227.14305	30.3
245.11684	12.9
245.15366	100.0
245.26643	5.6
246.15709	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
57.07075	5.2
58.06602	6.1
61.84600	0.4
62.06086	4.1
67.05487	0.6
71.08640	2.7
71.58198	0.8
72.08160	1.2
76.04008	0.6
76.07652	2.9
76.98736	0.5
79.05500	2.0
79.50090	0.4
81.07062	8.1
84.08141	0.6
85.10188	1.1
86.09705	0.9
91.05489	0.6
95.04950	0.5
101.93708	0.5
106.06573	0.6
109.06511	3.3
118.06543	1.3
121.45238	0.5
129.07005	0.9
130.06534	100.0
131.07378	3.7
144.08105	0.6
155.07320	0.8
156.08113	2.7
168.08063	1.7
169.08838	2.8
170.06009	0.6
170.09642	1.4
184.07570	0.7
184.11232	1.7
196.11185	0.9
198.12791	21.7
198.22139	1.1
208.11290	0.7
209.10344	0.6
226.12262	7.0
226.25366	0.9
244.10641	1.0
244.13359	13.3
244.22681	2.0
244.26384	39.0
259.79785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98671	0.2
58.99852	0.3
60.95856	0.4
67.05490	0.4
68.98314	0.4
69.03421	0.5
71.04973	0.3
71.38984	0.2
71.39314	0.3
82.99849	0.6
85.01412	0.3
86.99310	0.4
91.05486	0.3
92.85284	0.2
93.07034	0.2
95.04967	0.6
98.97572	0.6
101.00262	0.5
101.00888	5.7
102.00944	0.4
102.96858	1.8
103.00648	1.1
103.02443	0.4
105.00352	0.4
105.07044	0.4
106.44254	0.2
113.00870	0.6
115.02439	0.8
116.98552	0.5
119.01921	17.7
119.08536	0.3
120.02020	1.3
120.97903	1.7
121.00839	0.5
121.01669	6.2
121.02354	0.2
123.04456	2.3
127.02322	0.3
127.03893	0.5
129.00320	0.3
129.03955	0.3
131.01894	3.1
133.03484	1.7
134.99622	0.3
135.08008	0.4
136.99651	0.7
137.02954	3.5
138.03076	0.4
138.98914	0.9
139.02711	1.3
142.03447	0.4
142.98607	0.3
143.01897	6.2
143.08531	0.5
145.03468	2.0
145.10083	0.3
147.01407	1.3
147.05092	0.3
149.02934	0.6
149.06549	0.5
151.04546	0.3
155.00691	0.4
155.01865	0.8
157.03473	4.7
157.10178	0.3
159.08138	0.4
160.99629	1.5
161.02957	21.2
162.03036	0.4
163.04517	0.4
167.01909	0.3
169.03526	0.3
171.11627	0.4
173.02977	3.8
173.09637	0.3
175.03140	0.4
175.04532	4.8
175.07553	0.4
177.00932	1.3
177.02467	0.5
177.09752	0.4
178.01047	1.1
179.00702	23.5
179.03943	1.5
180.00899	0.4
184.04613	0.5
184.99600	0.4
185.02959	7.5
187.04503	1.4
189.05917	0.3
189.09082	0.5
189.12750	0.6
191.04031	1.4
193.02258	0.3
195.03934	0.4
197.01439	0.3
197.03020	0.6
199.04512	0.7
199.11179	1.1
202.02277	0.4
203.00943	1.3
203.03999	9.7
209.02866	0.3
212.08385	0.4
215.03955	1.6
217.01807	0.2
217.05559	0.7
217.12222	0.5
219.01950	1.5
219.03893	3.1
220.02170	0.8
221.01781	26.1
221.05165	1.2
221.99614	0.3
222.01866	1.3
227.00658	2.0
227.04037	1.4
227.10619	0.8
233.05121	1.4
235.03279	0.3
239.98480	0.3
244.03177	0.5
245.01814	9.5
245.05051	7.2
245.11884	4.1
261.03030	0.6
263.02869	100.0
264.03018	1.9
265.03049	0.5
268.03262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87201	0.5
53.03949	2.6
55.01871	1.5
55.05510	7.7
55.67630	0.6
57.03440	0.7
65.03948	1.2
67.05508	80.4
69.03434	1.0
69.07069	1.8
69.24400	3.4
69.24825	2.8
72.08174	0.8
76.69632	0.5
77.46080	0.6
77.68786	0.6
79.05486	1.2
81.07086	3.4
83.08631	3.3
84.08114	0.9
86.09710	0.8
91.05486	11.3
93.07050	45.2
94.05567	0.6
95.04980	4.0
97.06531	0.9
98.20721	1.5
98.21405	1.9
103.95714	0.7
105.04496	0.7
106.06564	10.3
111.08085	100.0
118.06544	3.9
120.08131	0.9
128.04968	3.1
129.06998	0.8
130.06516	3.0
132.04433	4.9
132.08105	1.5
133.05217	1.3
134.06024	36.3
143.07333	1.1
144.08083	0.8
146.06017	62.4
146.09612	1.2
156.08093	4.9
158.06027	2.0
159.11716	0.7
160.07613	0.8
168.08018	0.6
169.08922	0.6
171.05753	0.6
174.09143	0.9
183.06836	0.9
184.07568	1.7
198.09247	1.3
198.12817	4.4
202.08560	1.7
216.13860	1.2
226.12256	2.4
226.21826	0.9
244.09692	1.2
244.13368	19.2
244.22758	0.9
245.11613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
53.03946	1.9
55.01860	4.4
55.05515	19.0
57.03440	41.9
57.07061	2.2
60.41737	1.0
65.03938	5.2
67.05506	99.2
69.03413	5.1
69.07072	18.4
70.13442	3.8
71.04995	39.9
79.05497	41.6
81.07059	100.0
83.04996	9.5
83.08630	8.5
85.06066	1.7
85.06544	25.6
85.52558	1.3
86.09718	1.4
87.04450	4.0
91.05483	70.8
93.07048	21.0
95.04986	5.3
95.08611	13.1
97.01141	1.7
97.06529	7.3
105.07033	47.0
107.08598	32.4
109.06544	10.0
109.10157	44.2
112.02162	5.1
113.05993	2.0
115.07569	1.2
121.10145	3.5
123.08073	1.4
123.11712	12.0
127.07584	2.2
129.04837	4.8
131.08565	3.5
133.10133	55.0
139.11179	3.6
141.04773	1.3
151.11191	29.9
169.12259	3.5
180.08406	2.9
197.09389	1.9
197.11084	26.7
225.14799	1.5
228.07681	1.5
243.11948	23.3
243.15909	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	242.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.6
55.03957	0.4
56.05036	0.9
56.96567	4.2
57.03436	0.7
58.06591	0.7
58.99835	0.8
59.06918	0.5
61.02936	2.6
67.05484	0.6
69.03407	0.9
70.06594	2.7
71.57175	0.7
72.08139	1.4
73.02921	1.1
77.00897	0.4
83.06107	21.7
84.04488	1.3
84.07693	0.5
84.08154	7.2
84.96022	0.6
85.02882	1.5
85.06524	0.7
86.09715	3.6
93.04534	0.6
94.59430	0.4
97.02892	3.1
97.63656	0.4
97.90960	0.5
98.97576	3.2
99.04450	0.7
100.02485	1.4
101.00879	3.5
103.02451	0.9
109.99142	0.7
110.07175	5.9
111.02914	0.6
112.03728	6.8
112.07608	0.5
115.03151	0.5
116.98614	2.2
118.03545	1.0
119.01921	13.0
119.03652	0.5
120.02017	0.6
121.01636	0.5
121.03442	0.5
127.03917	0.7
128.00192	1.3
128.98575	1.1
129.09364	0.6
129.10251	9.5
131.01898	4.0
132.02122	0.5
133.01585	0.6
133.03473	4.7
134.06589	0.5
134.99635	1.0
135.03217	0.7
137.02954	3.4
139.04192	1.5
141.91307	0.6
142.03474	1.6
143.01883	1.0
144.99811	1.3
145.03419	0.8
146.01239	1.8
146.99654	1.2
147.01407	0.7
147.05032	0.5
148.04738	4.2
148.54851	0.6
149.02946	1.0
151.04536	1.7
152.08177	0.8
153.05238	6.5
155.01256	0.5
156.07668	1.8
158.99655	0.7
159.55507	0.8
160.04541	1.7
160.06166	0.5
161.01219	0.6
161.02951	2.2
161.05632	0.6
162.01822	0.8
164.02274	0.5
165.00710	0.4
165.07469	0.6
168.01369	0.5
170.99771	0.5
171.06255	0.7
172.99330	1.7
173.03110	2.7
174.08017	0.6
175.04485	0.9
177.00775	0.9
177.02397	0.7
187.00861	0.8
188.05826	0.9
189.00687	0.9
191.00375	1.3
191.04001	1.9
196.00957	3.4
196.04573	1.7
196.14458	2.9
197.04735	0.6
201.00706	0.5
201.02435	7.8
201.05643	0.5
205.02016	0.6
209.01102	0.5
212.05504	0.5
214.02002	1.7
214.05600	0.9
216.09085	0.5
219.03502	12.1
223.02907	0.5
224.06912	0.6
224.08951	6.9
228.03540	1.1
237.00661	1.9
237.02730	0.8
237.04187	1.2
242.10002	100.0
242.15208	10.4
242.18478	1.5
243.04715	0.5
243.10477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0811
Annotation	Clausine E
Peak:m/z	Relative Intensity
55.05515	0.5
57.03444	0.4
67.05500	0.6
68.21440	0.3
69.07059	0.5
69.95290	0.6
69.95683	0.6
70.06590	0.7
79.05494	0.4
79.23940	0.3
81.07064	0.5
84.08118	0.4
91.05484	7.1
95.04969	0.6
95.08674	0.3
100.11285	0.4
101.11609	0.3
103.05418	0.4
105.07038	0.4
108.08918	0.3
117.05782	0.7
118.09154	0.3
121.10159	0.5
127.05511	0.3
128.04971	1.0
128.06236	0.5
129.05768	0.5
129.06970	1.0
129.10298	0.5
130.06534	1.5
131.38074	0.3
136.48831	0.3
143.07373	0.4
143.08578	0.6
144.04471	0.8
145.06534	0.6
146.06036	2.1
153.05733	0.4
154.06514	85.7
155.06055	0.4
155.07285	5.7
156.08099	1.1
160.07477	0.5
166.06526	0.3
167.07300	0.6
168.08069	1.0
170.06017	0.6
170.09618	0.7
171.06749	0.6
179.32649	0.3
181.05232	2.5
182.06015	100.0
183.06798	5.7
184.07562	1.3
186.09201	1.1
196.07771	1.2
197.08369	0.4
198.05580	0.7
198.09146	1.1
199.06299	1.9
200.06953	0.6
210.05496	20.7
214.08612	6.6
224.07205	0.8
228.06488	0.8
242.08110	34.8
242.15346	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75665	0.9
53.03932	3.7
55.01867	1.7
55.05513	18.8
57.03438	100.0
57.07075	1.4
65.03957	1.1
67.05507	31.3
69.03425	2.0
69.07071	8.8
69.43033	7.9
71.01353	10.2
71.04984	4.9
73.34302	0.9
79.05496	67.6
80.09166	1.0
81.03408	4.0
81.07052	18.6
83.04984	12.1
83.08624	28.6
85.02888	2.2
85.06528	1.8
91.05475	13.7
93.07047	81.2
94.07373	1.1
95.04954	4.2
95.08606	22.7
97.06522	2.8
97.10185	1.7
99.08080	1.5
103.03941	1.3
105.07032	6.3
107.04964	2.8
107.08604	10.3
109.10129	1.4
116.06213	1.1
117.07017	0.9
118.06524	1.1
119.08548	2.9
121.06466	1.0
121.10147	81.0
123.08073	2.7
125.09667	1.5
129.06950	1.4
131.08592	10.4
139.11186	24.5
146.05974	1.1
149.09637	10.1
165.67526	1.1
167.07361	1.9
167.08548	1.5
167.10703	15.2
168.08116	1.8
177.07057	1.1
182.09644	3.2
184.05167	2.0
185.11723	1.2
195.08118	1.4
208.09904	4.6
213.09077	2.1
241.04674	1.5
241.08377	13.5
241.11882	1.7
241.14317	25.3
241.19601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01854	2.3
55.05515	21.7
57.03440	100.0
59.04985	1.4
61.01147	1.9
62.01498	1.4
63.02735	2.4
67.05170	2.0
67.05508	31.2
69.03417	2.4
69.07069	10.8
69.87341	6.6
71.01365	8.7
71.04998	5.7
76.02221	1.4
79.05497	72.6
81.03434	5.5
81.07064	16.5
83.04990	16.2
83.08619	29.0
84.04520	1.3
85.02899	2.5
85.06544	4.7
86.06884	3.3
91.02187	13.7
91.05486	16.6
92.02551	6.0
93.01760	6.8
93.07048	92.4
94.02077	3.4
95.04963	4.2
95.08610	23.5
97.06519	3.9
97.10172	1.5
98.20959	2.9
99.08100	1.4
103.03937	2.1
105.07041	8.9
107.04964	3.7
107.08612	10.7
109.10151	1.9
116.05323	1.6
119.08581	5.0
121.10149	86.1
123.08076	4.3
125.06013	1.7
125.09622	3.0
129.06996	1.4
131.08575	11.1
139.10104	1.5
139.11185	26.3
149.09628	12.4
152.06224	3.3
153.06941	1.1
158.00876	1.5
167.08531	3.7
167.10690	14.2
182.09976	1.6
185.09555	1.4
195.08038	5.3
198.06693	2.0
212.04623	1.3
213.05420	2.5
213.09067	1.7
217.93864	2.3
223.07559	2.8
226.06250	2.3
241.04768	1.7
241.08543	18.8
241.14359	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92344	1.5
51.15669	1.5
53.03936	2.8
55.01878	2.5
55.05264	1.8
55.05511	22.8
57.03437	97.7
57.07063	2.2
67.05168	2.5
67.05504	37.1
68.10564	1.4
68.63329	1.6
69.03406	4.3
69.07063	12.9
70.06603	2.0
71.01350	9.7
71.04977	5.9
71.57703	2.1
79.05496	83.5
81.03393	5.6
81.07059	23.9
83.04984	17.5
83.08619	27.9
85.02887	4.2
85.06550	2.1
91.05479	21.4
93.03738	1.9
93.07047	100.0
95.04937	5.4
95.08613	29.1
97.06522	5.4
97.10166	1.6
99.04427	2.3
103.03918	4.4
105.07034	10.6
107.04919	4.8
107.08588	18.3
107.16998	1.6
109.06493	1.5
109.10163	2.3
119.08578	4.8
119.99789	1.7
121.10144	97.4
123.08041	5.3
125.09599	3.8
129.06992	4.2
131.08580	19.7
133.10123	3.2
138.16898	1.5
139.11168	25.8
142.07855	2.1
145.10039	1.8
149.09622	19.3
157.10150	2.6
167.10687	17.9
171.11700	3.1
185.09680	3.2
185.11676	2.2
208.10016	3.1
213.09061	3.2
241.08607	10.5
241.14308	35.1
241.19566	8.6
242.28432	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	241.1435
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
52.39600	1.0
53.03942	2.6
55.01869	3.3
55.05513	20.5
57.03438	100.0
57.07062	1.6
63.27322	1.1
65.28438	1.0
67.05505	36.5
69.03411	2.0
69.07072	13.9
71.01357	8.8
71.04988	3.7
71.32065	3.1
79.05494	72.4
81.03433	6.1
81.07058	19.9
83.04990	17.0
83.08624	29.7
85.02899	1.6
85.05317	1.2
85.06544	2.1
91.05481	19.1
93.07047	95.5
95.04980	5.6
95.08607	26.1
97.06524	4.2
97.10172	1.3
99.08117	1.1
103.03924	2.3
105.07038	9.5
107.04959	4.3
107.08591	16.0
109.10128	2.4
111.08073	1.4
119.08577	3.2
121.10145	84.4
123.08070	3.7
125.09591	1.6
129.06996	2.7
131.08572	16.0
139.11192	23.4
143.08553	1.2
145.26273	1.2
149.09625	16.8
167.07343	7.3
167.10674	16.6
168.08131	2.1
180.08055	2.3
182.09621	7.6
185.09665	1.6
185.13356	1.5
195.08035	1.5
199.07530	1.7
207.09204	7.7
208.09964	20.4
212.05287	2.2
213.09056	2.7
223.04454	1.4
223.13327	2.1
224.05318	3.8
241.08000	31.4
241.11928	3.0
241.14279	27.2
241.16331	1.8
241.19470	3.7
241.21628	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80222	0.9
53.03938	3.0
55.01863	2.9
55.05507	12.2
57.03437	36.0
57.07072	2.1
65.03938	1.2
67.05505	30.4
69.03435	6.3
69.07071	10.2
70.06585	1.7
71.01337	3.2
71.04975	3.8
71.58806	1.6
72.08130	1.2
73.02942	1.0
79.05493	62.3
81.03396	3.8
81.07056	14.8
83.04978	12.9
83.08620	7.4
84.04512	0.9
84.08140	1.9
85.02895	3.8
85.06528	3.1
91.04951	1.4
91.05477	14.9
93.07043	65.2
95.04954	4.1
95.08047	1.5
95.08610	21.0
97.06509	3.2
99.08096	3.3
103.03941	13.8
103.05474	1.0
105.07033	11.4
107.04929	2.6
107.08605	21.8
109.10150	1.6
117.07027	0.8
119.08586	8.1
120.08113	1.0
121.06496	1.2
121.10143	100.0
123.08067	9.4
125.06038	0.9
125.09605	2.6
127.03294	1.0
128.06219	1.4
129.05528	1.2
129.07002	2.1
131.08572	23.8
133.10139	2.0
135.11664	1.2
137.09596	1.5
139.11174	9.7
141.07062	1.1
149.09622	34.9
151.11162	3.3
152.06221	1.9
153.07001	1.1
154.06516	18.9
155.07330	1.3
157.06462	0.9
159.06523	1.5
165.06953	1.9
167.08559	4.4
167.10674	11.9
181.06462	1.9
182.06012	22.0
183.06763	1.3
185.05916	1.2
185.09636	2.2
185.11710	1.1
195.06410	1.0
195.08008	3.6
197.05838	1.3
198.06798	2.1
205.12198	1.2
210.05542	5.1
212.04562	1.3
213.05420	2.4
213.09113	4.9
214.08586	1.5
223.13243	3.0
226.06244	2.5
240.04872	0.9
241.04822	1.7
241.08614	20.8
241.14330	54.6
242.08099	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	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
54.34603	0.8
55.01862	4.2
55.05303	1.0
55.05511	10.2
57.03436	29.2
65.03941	0.9
67.05507	30.6
69.03437	8.2
69.06728	0.9
69.07072	10.9
69.92959	1.6
69.93376	3.1
71.01363	1.3
71.04972	2.9
77.03934	1.2
79.05492	69.1
81.03390	3.9
81.07057	15.9
83.04981	14.1
83.08620	4.2
84.08105	1.0
85.02896	4.6
85.06522	1.7
91.04898	0.9
91.05476	18.1
93.07046	70.2
95.04948	3.8
95.08049	1.3
95.08606	17.8
97.06529	6.4
99.04459	1.0
99.08051	3.0
103.03944	12.5
105.07038	11.4
107.04931	2.6
107.08595	21.9
109.06506	1.1
109.10111	1.0
109.81631	0.8
111.08028	1.2
116.06257	1.8
117.06994	0.9
119.08585	7.0
121.06477	1.3
121.10143	100.0
122.10461	1.4
123.08084	11.9
125.09612	3.9
127.03236	1.4
129.05438	1.8
129.07005	2.2
131.08571	27.7
133.07469	0.9
133.10110	4.0
139.11180	5.3
149.09624	38.1
151.11136	3.4
152.06122	1.5
159.06516	1.5
163.17674	0.9
167.08638	1.0
167.10681	11.9
178.03926	1.0
185.11655	1.2
187.39323	0.9
197.05966	1.4
213.09042	0.9
213.69505	1.0
220.96664	1.0
223.13196	4.2
241.04892	1.5
241.08597	5.0
241.14322	49.5
242.14659	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.9954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.8
55.93525	11.1
56.94318	12.5
56.96548	8.7
57.07068	4.8
67.05489	2.7
68.94267	2.0
68.99728	1.9
69.03424	2.3
70.06580	2.4
70.63945	4.7
70.95517	3.6
70.95871	56.7
71.93001	3.6
72.93793	89.7
79.05496	1.8
81.07051	5.3
82.95843	6.9
84.16664	2.2
85.02869	1.8
88.96399	2.5
88.96910	35.2
90.94838	47.3
95.08594	3.2
98.21347	2.0
98.97581	7.0
100.96873	5.5
102.94814	3.5
104.96370	4.0
106.97939	7.3
108.95861	13.0
110.96357	2.1
111.98462	5.8
112.07513	2.1
113.96414	19.3
116.96354	5.3
116.97161	4.3
116.98601	3.6
121.30042	1.8
128.96353	25.2
129.99480	3.5
131.97417	9.0
132.95851	33.0
134.97412	9.6
134.99651	4.9
140.96399	1.9
142.97920	31.9
144.95840	11.7
144.98335	2.5
146.97363	15.5
150.96902	38.2
155.97388	7.5
156.95802	5.6
156.97681	2.5
158.97371	3.5
160.98972	18.5
162.96872	11.6
168.95830	2.9
169.99030	3.9
170.97414	76.6
172.95329	3.7
172.98978	2.1
173.98518	6.2
174.90070	3.0
174.96918	10.0
174.99072	2.3
175.97076	3.0
184.00591	3.0
184.95335	22.4
186.96889	8.8
188.98468	57.7
190.96501	3.2
192.91177	7.3
192.97972	8.5
193.91144	2.2
193.99022	6.0
197.98459	5.4
198.96922	43.1
198.98709	4.7
200.00517	4.1
202.96410	22.9
204.97948	7.9
207.96960	13.5
209.98509	35.5
210.92210	7.8
211.92131	3.1
212.00081	4.9
215.99428	2.8
216.97951	100.0
216.99692	3.7
221.98441	5.5
224.87904	2.4
225.98146	4.3
227.99590	10.8
234.92201	10.0
234.99028	79.7
239.99541	98.8
240.09225	29.9
240.12280	10.3
240.90962	3.3
241.00018	2.5
251.01131	4.2
252.93152	2.1
258.00577	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	239.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74432	0.5
53.00310	0.6
53.03952	0.6
54.78666	0.4
55.05513	22.2
57.03458	0.6
57.07078	100.0
60.14523	0.4
61.05872	0.4
65.03942	1.5
67.05507	49.9
69.07070	24.4
71.05003	0.8
71.08633	62.2
74.03770	0.4
79.05483	4.1
81.03425	1.0
81.07060	51.6
83.08622	26.1
83.09025	0.4
84.23942	0.4
85.06544	3.6
85.10185	29.6
86.74319	0.4
89.06035	1.8
91.05467	1.2
93.07053	2.8
95.08610	73.5
97.09533	0.7
97.10170	13.5
98.20853	1.5
98.21532	1.0
99.04456	2.7
99.08081	1.4
99.10902	0.4
99.11738	1.3
107.08644	0.6
109.10159	26.9
111.11752	2.0
114.65078	0.4
119.08553	0.7
119.54082	0.4
123.08086	0.4
123.11714	7.2
124.90835	0.4
129.21063	0.4
133.08669	0.5
137.09683	0.4
137.13245	2.5
139.14842	0.4
151.14796	1.2
165.16443	1.0
183.11780	0.5
196.67058	0.4
221.22632	0.7
239.08801	1.9
239.14409	0.7
239.18019	1.2
239.23668	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	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00312	0.7
53.03962	1.0
55.05514	23.0
57.03448	0.8
57.07079	100.0
65.42639	0.6
67.05508	50.3
69.07072	25.0
69.07452	0.9
71.04999	1.2
71.08636	62.5
71.58865	0.6
72.04516	2.0
75.52418	0.5
79.05489	4.7
81.03417	2.8
81.07063	52.6
81.64510	0.6
83.08625	27.1
84.89249	0.5
85.06541	3.9
85.10188	28.6
88.02223	1.5
89.06035	1.3
91.05486	1.3
93.07041	3.2
95.08613	71.6
97.10174	13.3
99.04474	2.3
99.08110	2.2
99.11755	0.8
107.08611	0.8
109.10167	26.4
111.11713	1.5
119.08603	1.0
123.08052	0.6
123.11718	8.4
129.07072	0.7
137.13274	2.5
155.08531	1.3
157.10196	0.6
169.10104	1.0
183.11691	0.8
197.13248	1.5
217.09669	0.6
221.22566	0.7
239.08890	2.5
239.12524	0.8
239.14532	0.8
239.18112	3.8
239.23689	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1438
Annotation	9-Angeloylretronecine
Peak:m/z	Relative Intensity
52.67882	1.5
55.05517	15.7
56.05054	4.0
57.03450	1.5
57.07074	1.8
67.05511	1.8
68.05038	1.5
69.02849	1.3
69.07067	3.5
70.06595	8.8
71.07346	1.6
71.57281	1.8
72.08153	15.8
73.06566	8.9
74.06078	1.7
79.05507	3.9
81.03424	8.9
81.07053	1.5
84.04507	3.3
84.08145	14.1
85.02910	1.5
86.09698	7.8
88.03997	2.2
91.05486	8.8
93.07052	2.7
95.05052	1.4
95.08614	1.9
103.05458	13.4
105.07042	11.7
106.06569	3.4
107.04955	4.9
110.07173	3.0
111.07428	1.8
117.05757	1.8
117.07020	11.9
118.06564	4.1
119.08601	1.8
120.08114	100.0
121.08482	2.7
129.07014	1.9
129.10280	5.6
130.06607	1.8
131.04964	6.8
134.09637	3.6
134.16125	1.5
136.06203	12.1
137.09656	1.5
142.07831	3.3
142.98041	2.8
144.08084	1.5
146.09656	2.7
150.09163	2.3
157.10170	2.4
161.08006	1.9
166.06912	8.7
166.08691	6.7
166.61501	1.5
168.27277	1.3
174.12801	78.7
182.06107	1.8
184.72498	1.6
192.06615	3.7
192.10208	4.0
192.13834	69.4
193.06944	2.1
194.10049	3.4
214.96581	3.0
216.65637	1.5
220.09808	3.5
220.11739	2.0
220.13420	25.0
232.97585	3.6
238.05168	8.6
238.08966	22.4
238.14476	62.4
238.22495	2.1
239.09058	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	238.1074
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
55.05504	1.2
56.05045	1.0
60.05355	0.8
67.05496	1.9
69.07078	1.2
69.53852	4.2
69.54262	1.8
70.06586	3.7
70.38878	0.8
72.08144	6.0
73.32030	0.8
79.05479	1.8
81.03419	1.5
84.04490	2.2
84.08138	9.2
86.09698	4.8
88.04014	1.3
89.05998	1.5
91.05483	3.9
96.62991	0.9
98.20800	1.9
103.05472	3.5
105.07026	20.8
106.06562	1.2
107.04958	2.3
115.05458	3.2
117.05750	7.3
119.07341	5.1
120.08128	1.0
129.10262	3.9
130.06520	8.5
130.08624	1.2
131.04980	1.4
132.08089	99.5
135.08061	6.2
135.65144	0.8
136.06204	9.9
142.05103	0.9
150.09171	1.0
159.67871	1.0
161.09889	1.0
171.55919	0.8
178.08624	5.1
192.06560	2.9
192.10190	100.0
210.94638	1.0
220.11922	1.5
238.08795	1.6
238.10744	5.8
238.13007	4.1
239.08763	2.1
250.07677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2213
Annotation	Bombykal
Peak:m/z	Relative Intensity
53.03918	2.6
55.01866	3.1
55.05513	81.4
56.89012	2.0
57.03422	6.3
57.06821	3.2
57.07079	41.5
65.03938	2.1
67.05505	79.6
68.02592	1.8
69.07068	93.9
69.48108	5.6
69.48529	7.3
71.04980	5.4
71.08643	15.2
79.05050	3.1
79.05495	50.2
81.07057	97.6
83.04990	9.2
83.08620	87.8
85.06538	7.8
85.10171	2.5
85.26235	1.6
87.30219	2.0
91.05468	10.8
93.07044	56.8
94.22430	1.9
95.04930	3.0
95.08607	74.4
97.06541	31.9
97.10170	43.2
99.04478	2.2
99.08077	4.0
105.07012	4.0
107.04945	2.3
107.08597	39.4
109.06512	2.3
109.10160	33.7
111.04442	5.4
111.08079	20.9
111.11738	9.3
113.09664	3.5
117.06976	3.4
119.08608	4.2
121.06470	2.6
121.10146	85.1
123.11713	25.6
123.88208	1.9
125.09609	7.9
127.11175	2.9
131.08574	4.4
133.10136	2.6
134.44754	1.7
135.08057	1.7
135.10669	3.8
135.11694	66.0
137.13258	22.6
139.11176	6.7
141.12749	5.5
145.10104	3.3
145.41690	1.7
148.07608	2.4
149.13263	27.0
151.14760	2.3
153.05460	2.7
153.12721	4.4
159.11687	3.0
160.13303	1.6
163.03963	2.4
163.07535	3.4
163.11211	2.3
163.14850	12.0
166.07683	2.0
177.12642	2.6
177.16422	5.0
179.08461	2.7
181.04985	4.9
191.10715	4.0
192.06570	17.1
194.10744	1.7
207.11752	3.1
209.11771	11.3
219.13800	5.9
219.21085	63.5
222.14021	2.1
237.09056	2.4
237.12749	4.1
237.14661	3.2
237.16559	6.1
237.22141	100.0
238.18175	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
52.43849	1.6
55.01858	7.8
55.05515	9.8
56.53290	1.9
57.03416	3.8
57.07063	5.7
65.03925	2.9
67.05210	1.9
67.05505	17.2
68.86733	1.5
69.03399	2.5
69.06730	2.0
69.07074	29.5
70.77662	4.7
71.04975	4.4
79.05499	22.8
81.03404	3.0
81.07062	21.0
83.04961	7.7
83.08601	5.2
85.06509	3.3
91.05489	19.2
93.07054	38.7
95.04988	11.4
95.08613	16.6
97.06509	6.2
98.20799	1.8
103.05430	2.3
105.07037	24.1
107.04964	14.9
107.08599	32.2
109.06516	17.5
109.10141	6.9
110.97359	1.6
111.04404	2.0
111.08053	4.1
113.06006	3.5
117.07030	23.0
118.06533	1.8
119.08601	20.0
121.02855	2.0
121.06514	27.4
121.10114	6.5
123.08060	11.9
123.11665	2.4
125.09664	2.1
129.07014	3.4
131.07677	2.5
131.08577	19.7
133.06490	2.8
133.10159	10.5
135.07106	2.7
135.08070	33.3
135.11673	5.8
136.08707	1.7
137.05951	4.4
137.09590	2.1
139.07498	5.0
141.06927	2.0
142.07712	2.0
143.08553	1.9
145.06480	8.8
145.10133	9.5
146.05937	1.9
147.08014	3.9
147.11632	3.4
149.02383	16.7
149.09612	11.6
149.13278	8.4
151.07552	15.8
153.09058	3.5
155.08609	4.0
157.10132	5.3
159.08041	5.5
159.11717	21.2
161.09604	5.3
163.07547	22.0
163.08801	2.6
163.11221	2.6
165.07054	2.0
169.08580	3.9
173.09612	1.9
173.13274	10.8
175.11169	6.1
177.09113	4.5
177.12769	14.1
179.10713	5.3
181.08632	20.3
181.10057	3.3
183.11745	10.4
191.14317	9.6
192.06583	9.0
193.05011	12.8
194.11028	1.6
195.10115	6.0
201.12769	18.0
219.13776	34.3
219.17186	1.7
237.07478	14.8
237.12961	3.9
237.14810	100.0
237.22110	5.5
237.93985	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	237.1485
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03946	5.6
55.01868	13.0
55.05511	19.3
57.03436	5.9
57.07075	8.4
65.03938	11.5
67.05502	40.2
67.25668	3.1
69.03419	7.6
69.07073	28.2
71.04995	55.0
71.57710	3.8
72.08147	3.0
79.05494	56.4
81.03397	7.0
81.06582	5.3
81.07062	100.0
83.04978	15.1
83.08617	10.6
85.02895	15.1
85.06532	10.5
91.05481	25.8
93.07040	39.7
95.04955	20.3
95.08609	33.3
97.02874	3.3
97.06546	15.9
99.04498	5.9
105.07026	18.2
107.04954	20.4
107.08613	49.9
109.06529	46.8
109.10142	19.2
111.04440	11.4
111.08085	9.1
112.66091	3.1
113.06003	35.7
117.07030	13.7
119.08575	20.0
121.02864	4.2
121.06512	20.2
121.10116	23.1
123.08079	14.4
123.11671	6.1
125.05990	12.0
131.08594	26.4
133.10147	10.0
135.08044	23.0
135.11702	14.5
137.05981	16.1
137.09563	7.3
139.03983	4.9
145.10155	12.7
146.05981	6.2
147.08113	4.7
148.07581	8.7
149.01144	6.5
149.02350	96.7
149.03447	9.7
149.05989	4.6
149.09589	7.8
149.13307	10.4
157.10106	8.2
159.06544	3.6
159.11722	15.1
161.09656	6.3
163.07555	9.8
165.09174	3.7
167.07077	5.8
173.13237	18.0
175.11159	7.6
177.09119	8.8
177.12743	18.2
179.10643	8.4
183.11644	6.2
189.41148	3.7
191.14255	16.7
192.06555	41.2
193.04951	62.0
195.47385	3.3
201.12767	17.9
219.13806	66.9
237.07498	71.7
237.12749	7.5
237.14764	61.4
237.18561	5.7
237.22169	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	237.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43171	0.9
54.58878	0.9
55.01869	1.5
55.05506	1.3
57.03435	8.8
57.07077	1.2
61.17904	0.9
67.05488	2.1
69.03419	1.0
69.07055	2.4
70.06580	2.1
70.49504	3.2
72.08122	1.1
75.04483	1.7
79.05486	3.5
81.03408	1.0
81.07062	2.4
83.04949	1.2
83.08643	1.1
84.08136	1.9
86.09708	3.6
88.02186	1.0
91.05486	5.5
93.07043	2.6
95.04937	2.3
95.08620	1.9
98.21241	1.7
102.04692	4.5
103.05473	33.4
103.99435	1.0
105.07052	7.3
107.04942	1.3
107.08550	1.4
109.06514	1.5
111.07987	0.9
115.05483	1.3
116.05307	2.9
117.07024	2.2
118.06555	1.1
119.04939	2.6
119.08556	1.5
120.08105	1.9
121.06524	2.0
122.05947	1.0
124.92793	0.9
129.06964	1.1
130.04166	16.4
131.04933	82.1
132.05695	0.9
133.06488	7.8
135.08017	1.7
137.05977	2.0
141.98737	0.8
145.06491	3.1
147.04411	4.0
147.06833	1.1
148.05196	100.0
149.05934	0.8
149.13280	1.0
151.07533	1.4
157.06508	1.1
160.05185	1.5
160.07613	4.4
161.05983	15.6
162.06763	9.2
163.07545	58.6
175.07568	1.8
179.87462	0.9
189.09114	1.3
191.10683	1.4
192.06578	3.2
201.09177	1.1
204.07870	1.1
219.10193	2.8
219.13751	1.1
219.21037	1.1
220.04570	1.7
237.07191	1.3
237.09198	1.8
237.11234	2.1
237.14835	1.6
237.22173	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01873	2.1
55.05508	1.6
57.03222	0.8
57.03437	8.6
57.07076	1.6
57.27195	0.8
67.05505	2.4
69.03432	1.5
69.07075	1.8
69.57053	5.8
70.06600	2.4
72.08123	1.0
75.04468	2.2
79.05485	3.3
81.07041	3.4
83.04953	2.2
84.08140	2.4
86.09709	4.9
91.05480	7.1
93.07032	3.5
95.04966	1.2
95.08601	1.6
97.06551	1.2
98.20764	1.6
98.21422	1.6
102.04675	4.8
103.05470	32.6
105.07047	7.3
107.04983	1.8
107.08585	2.5
109.06519	2.1
110.07147	1.3
115.05450	2.6
117.07007	1.9
119.04958	2.8
119.08587	1.4
120.08130	4.0
121.06522	2.4
121.10159	0.9
127.29153	0.8
129.10225	1.0
130.04149	14.6
130.06493	0.9
131.04932	79.1
131.08511	1.4
132.05290	1.4
133.06509	6.4
133.10135	0.9
135.08043	3.0
136.07533	0.9
137.05988	2.3
139.04948	0.9
145.06493	2.1
146.05968	1.4
147.04434	5.0
147.08047	1.6
148.05196	100.0
149.05928	1.4
149.09550	0.9
157.06506	1.2
159.08005	1.3
159.11761	1.1
160.05174	2.0
160.07570	1.7
161.05995	14.4
162.06740	8.8
163.07544	49.2
163.14734	0.7
172.61064	0.8
173.13191	1.1
175.07526	1.5
177.05409	1.0
179.07126	1.4
181.08710	0.9
189.09019	0.8
192.06554	5.0
194.24773	0.7
201.09067	1.2
204.07855	1.4
219.06207	1.1
219.10106	2.3
219.13879	1.5
237.00755	0.8
237.07292	1.0
237.11246	3.3
237.14789	2.6
237.22197	1.5
254.97772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00937	0.3
70.63166	0.5
71.99095	1.3
79.05485	0.5
80.87666	0.3
98.21113	0.5
103.05450	2.1
104.04989	0.6
105.07030	0.7
106.06552	0.5
117.05766	3.3
117.07034	0.4
117.29390	0.3
117.80991	0.3
118.06535	1.2
128.05031	0.5
130.06534	12.0
131.07294	0.3
132.04465	11.0
132.08098	9.7
133.05305	0.4
133.06488	0.5
134.06024	0.9
145.05235	8.7
145.39532	0.3
146.06035	2.3
147.06799	20.6
148.07567	3.8
157.05141	0.3
158.06007	0.5
158.07169	2.2
160.07587	100.0
161.08122	0.9
163.07561	0.4
164.01627	0.6
171.05537	3.9
171.06810	0.4
173.02959	1.8
179.04060	0.5
185.07140	1.1
186.07903	5.8
187.08665	0.4
188.01666	2.6
188.03981	0.5
189.02444	1.3
192.04802	1.0
193.70242	0.3
202.03149	0.5
203.03983	6.2
204.03049	0.6
204.04823	11.2
219.05920	0.7
220.06696	2.2
237.06949	2.8
237.14764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0871
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
55.05506	1.3
56.96564	1.8
58.73749	1.0
70.06591	1.2
71.47918	0.9
71.48302	1.1
73.82840	0.8
74.02450	7.5
86.09680	0.9
90.76514	0.7
91.05485	6.2
92.05009	1.0
93.51037	0.8
94.06570	41.5
95.04945	0.9
99.00822	13.0
103.05481	0.9
104.04988	9.0
113.97820	0.9
118.06548	50.8
120.04468	19.9
120.08114	8.4
122.06035	1.0
130.06560	1.8
132.04451	11.8
136.07578	73.4
146.06015	100.0
147.06435	1.1
148.03937	4.5
150.05513	22.7
156.04440	2.9
163.08691	2.9
164.07074	10.6
169.53609	0.8
171.25342	0.9
174.05515	56.5
181.84216	0.8
191.08202	2.5
192.06567	49.8
193.01959	0.9
202.05003	18.7
220.06056	16.0
237.08873	4.9
237.22321	1.1
255.01808	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	236.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97278	0.4
53.03946	0.5
55.05511	0.7
56.05038	1.0
57.07079	1.8
58.07399	0.6
63.42331	0.4
65.91267	0.4
69.07079	2.9
70.06599	9.0
71.07384	1.3
71.09946	0.6
72.08165	1.1
73.06559	0.4
79.05488	2.8
81.07076	0.5
84.04514	0.7
84.08141	1.6
86.06079	1.2
86.09705	2.1
87.02676	0.4
87.06855	6.0
88.07635	1.8
91.05485	11.7
93.07035	0.6
95.04958	1.0
98.06041	0.8
100.02184	0.4
103.05473	6.9
104.04984	0.4
105.07033	2.9
107.04946	2.5
110.07201	0.5
114.25499	0.4
115.05456	0.5
115.07616	0.7
117.07042	1.1
118.05785	0.7
118.06551	6.1
119.07331	55.5
120.08121	10.8
121.06493	1.2
123.04453	0.6
129.06979	0.6
129.10257	0.7
130.06532	2.2
131.04915	1.9
131.08580	3.5
132.08102	1.2
140.98480	1.0
144.08063	0.9
145.10168	1.0
147.04451	0.6
148.04738	0.5
148.11212	1.1
149.06050	0.7
152.05675	3.3
153.04030	0.6
156.08101	0.9
157.08893	3.0
160.07591	0.8
162.12769	2.1
172.11214	14.3
173.09656	1.1
176.07080	0.7
180.11017	1.4
186.99036	0.5
190.12280	100.0
191.12604	0.5
212.96913	0.9
218.08241	0.6
218.11858	1.6
218.15298	0.5
230.98038	1.1
235.97433	0.5
236.09073	0.9
236.12811	20.9
236.16660	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	236.1282
Annotation	Lophophorine
Peak:m/z	Relative Intensity
55.05519	0.8
56.05045	0.8
57.03434	0.7
57.07077	1.7
60.02707	0.3
60.04511	0.4
68.05021	0.4
68.31287	0.4
69.07074	0.8
70.06595	3.7
70.70685	0.4
71.57919	0.5
72.08150	0.7
79.05491	1.3
80.05006	0.7
80.77441	0.4
81.03420	0.5
81.07047	1.0
84.08142	5.5
86.09714	7.4
91.05482	5.5
93.07043	1.2
94.06522	0.4
95.04955	0.8
103.05490	1.7
104.05003	1.0
105.07055	1.2
106.06599	0.6
107.04951	0.7
107.07331	0.5
107.08617	1.1
110.07144	0.6
115.05457	0.4
116.07060	0.5
117.05762	2.7
117.07038	1.8
118.06541	4.3
119.04932	1.2
119.07340	1.2
119.08565	2.6
120.08100	6.4
121.06474	0.5
121.08511	0.4
129.07013	0.8
129.10240	3.8
130.06522	3.4
130.08600	0.5
131.04897	0.5
131.07320	3.8
131.08318	0.5
131.08513	0.5
132.04483	1.0
132.08090	1.4
133.08859	0.5
134.06007	0.9
134.09650	6.1
135.08063	0.6
143.11790	1.0
144.08015	0.9
146.09654	3.7
147.04427	4.6
147.10393	0.9
148.05254	0.6
148.11160	0.7
152.78468	0.4
158.09634	0.9
159.06841	0.7
174.09154	57.9
174.12648	4.2
175.09454	0.5
176.07068	11.6
177.07878	3.3
179.10689	0.5
180.11053	0.9
190.04980	0.6
190.08656	1.0
190.12294	1.2
192.10199	100.0
192.17508	1.8
193.10564	0.9
200.07036	0.5
208.38165	0.4
217.96516	0.5
218.08253	0.5
235.97639	1.2
236.12817	62.8
236.16855	5.5
236.20143	1.2
253.98215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81628	0.7
53.03922	1.7
55.01876	1.4
55.05517	14.1
57.03432	2.6
57.07077	30.2
58.06574	1.0
59.04987	1.2
59.92474	0.8
65.03938	2.2
67.05507	77.6
69.03432	3.3
69.06717	1.0
69.07069	16.4
69.48003	5.7
71.04993	6.6
71.08628	5.1
79.05495	24.9
81.07059	100.0
83.04974	3.2
83.08614	8.0
84.03307	0.7
85.06548	10.3
85.10188	4.1
86.09708	12.1
91.05482	26.0
93.07051	28.3
95.04981	6.5
95.08611	77.0
96.08954	0.8
97.06538	9.3
97.10146	4.2
98.20844	2.5
99.08090	11.8
99.12878	0.7
105.06377	1.4
105.07031	19.4
107.08601	18.5
109.06537	4.0
109.10159	31.2
111.08089	7.9
111.11707	0.9
113.09661	8.5
115.07521	1.0
117.07040	0.8
119.08587	25.9
121.06524	1.5
121.10146	24.9
123.04452	1.4
123.08081	6.7
123.11715	18.8
125.09639	1.6
127.11185	2.9
131.08592	4.9
133.10138	25.2
135.08057	1.9
135.11699	17.6
137.09622	6.5
137.13261	21.6
139.11177	5.2
143.08603	0.8
144.36806	0.8
145.10127	2.0
147.11694	19.5
149.09612	8.5
149.13284	5.6
151.07471	0.9
151.11217	2.3
151.14836	7.6
153.12772	2.3
159.11685	2.4
161.09578	2.0
161.13263	13.5
163.14795	1.6
165.09250	0.8
165.12784	5.3
173.13277	1.0
174.69769	0.8
175.11229	2.4
175.14815	7.6
177.12712	0.9
177.16389	1.4
179.10663	10.6
189.16368	5.0
191.14351	1.0
191.17979	1.5
199.14807	1.3
217.15929	4.5
217.19521	41.4
218.29829	0.8
220.12509	1.3
235.09531	1.1
235.13153	1.8
235.14973	1.9
235.16937	52.2
235.20573	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2057
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
51.24063	1.5
52.65946	1.4
53.03947	2.5
55.01869	1.7
55.05514	17.0
55.16414	1.6
57.03445	2.7
57.07077	52.4
65.03932	2.9
67.05506	81.7
67.71499	1.4
69.07069	19.2
71.04994	3.3
71.08620	5.7
71.57815	2.2
79.05493	31.8
81.03396	1.6
81.07058	100.0
83.04980	2.9
83.08618	8.8
85.06540	10.7
85.10182	4.8
86.07446	1.3
86.09699	20.8
91.04956	1.0
91.05476	30.4
91.06009	2.8
93.07050	36.5
93.98733	1.9
95.04965	6.4
95.08609	86.7
97.06555	8.2
97.10168	5.3
99.08096	11.9
105.07040	22.0
107.08595	21.8
109.06536	3.3
109.10159	29.0
111.08076	6.8
113.09671	8.3
119.08580	23.4
121.10152	25.4
123.04417	4.2
123.08077	8.2
123.11709	16.5
125.09623	3.1
128.06282	2.7
129.07010	2.3
131.08560	2.9
133.10136	31.0
135.08105	3.1
135.11705	19.8
136.08762	1.5
137.09633	5.8
137.13283	18.1
143.08545	2.4
147.11702	22.5
149.13306	7.2
151.11252	2.8
151.14815	7.5
159.11731	1.5
161.09587	1.9
161.13278	17.8
163.14864	2.0
175.14842	7.9
176.87007	1.5
177.16391	2.6
179.08533	1.6
179.09186	2.0
179.10675	22.2
189.12729	1.6
189.16408	3.2
191.17976	5.4
192.09335	2.6
193.10149	3.4
205.10130	4.6
206.10953	2.1
207.11705	2.8
217.12306	2.8
217.19519	55.2
220.12550	7.9
235.09454	4.2
235.14810	11.6
235.16954	88.5
235.20598	77.5
236.17117	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03929	2.2
55.01870	2.7
55.05259	1.2
55.05510	15.0
57.03432	3.0
57.07076	33.7
59.04996	0.9
65.03941	2.0
67.05503	71.3
69.03429	34.1
69.07066	13.6
69.56245	0.9
70.88909	1.7
70.89259	0.8
71.04990	3.2
71.08630	4.1
79.05494	35.6
80.66504	0.7
81.03386	1.4
81.07056	100.0
81.37520	0.7
83.04971	4.0
83.08616	8.4
85.06535	8.6
85.10180	2.5
86.09697	10.0
91.05482	32.4
93.07044	36.3
95.04966	6.6
95.08605	62.9
97.06532	10.2
97.10174	2.4
99.08084	8.6
105.07030	20.8
107.05002	1.3
107.08595	23.4
109.06517	13.4
109.10151	21.3
111.08105	5.3
113.09650	4.3
117.07021	1.2
119.08577	18.1
119.09341	1.3
121.06541	1.5
121.10145	21.0
123.04452	3.0
123.08076	11.5
123.11703	12.7
125.09632	1.8
127.11228	2.1
129.07007	0.9
131.08528	3.6
133.06558	1.0
133.10127	28.9
135.08078	2.2
135.11688	14.2
137.09622	5.1
137.13258	16.3
139.11089	1.2
143.08557	1.8
145.10147	1.0
147.08084	1.0
147.11684	14.2
149.09622	1.2
149.13232	4.1
151.07565	1.7
151.11188	2.6
151.14803	5.5
153.12769	2.1
157.10164	2.1
159.11658	1.0
161.09650	1.8
161.13260	11.0
163.07634	1.1
163.14803	0.9
165.09155	0.7
165.12778	1.0
170.69385	0.8
171.11748	1.2
171.29401	0.8
173.13312	1.2
175.11200	1.9
175.14822	6.0
177.16371	1.1
179.07166	1.2
179.10692	12.5
189.12769	1.5
189.16396	5.9
191.17917	1.0
193.08582	0.8
193.12254	1.0
199.14862	2.5
207.17604	1.0
208.96204	0.7
211.96230	1.2
217.15974	3.8
217.19522	31.1
220.12502	1.5
235.13245	12.7
235.17000	61.5
235.20650	53.2
249.66010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03952	2.2
55.01876	2.0
55.05296	1.3
55.05521	13.4
57.03428	3.7
57.07076	31.5
65.03931	1.6
67.05507	86.1
67.79738	1.1
69.07066	16.6
71.04986	4.3
71.08621	6.9
79.05493	25.2
81.07059	100.0
83.04977	4.6
83.08623	8.5
85.06540	11.5
85.10173	3.6
86.09701	8.7
91.05480	23.4
93.07043	27.0
95.04970	3.0
95.08610	88.2
97.06535	10.7
97.10176	4.2
98.21137	6.0
99.08095	9.9
105.07035	13.1
107.08608	13.4
109.06528	2.5
109.10159	27.0
111.08100	6.5
113.09647	6.0
119.08582	22.2
121.10148	21.9
123.04447	1.6
123.08063	4.9
123.11715	18.2
125.09601	1.4
127.11182	2.4
133.10143	23.1
135.11697	20.9
137.09637	3.8
137.13268	24.0
139.11186	1.4
147.08054	1.3
147.11700	13.6
149.13255	7.1
151.11218	2.6
151.14828	10.7
153.12749	3.0
161.13292	10.8
163.14871	1.7
165.37129	1.0
175.14813	5.7
177.16418	1.9
179.10709	8.8
189.16386	3.9
191.17934	3.1
193.08592	2.3
204.78616	1.1
208.30257	1.2
216.57727	0.9
217.17421	2.4
217.19521	48.4
235.13225	3.1
235.16948	37.3
235.20592	78.4
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	Crispine A
Peak:m/z	Relative Intensity
54.65350	0.4
55.05510	2.7
57.03418	1.3
58.99587	0.5
59.04752	0.5
59.05006	6.2
70.90354	0.7
70.90704	0.5
73.06544	1.4
76.02235	0.5
79.05476	0.5
84.04491	0.7
84.08150	0.4
85.02836	0.4
91.05487	0.7
92.05027	0.4
93.05811	0.6
93.06981	0.4
105.07014	0.9
107.08615	0.7
110.46126	0.4
115.05462	0.9
117.07021	2.3
118.06552	11.5
119.07330	9.7
130.06517	0.4
132.08096	1.0
134.09665	92.9
136.06197	12.0
146.06073	0.4
162.12766	0.5
176.10983	0.3
190.08511	0.5
190.12241	0.4
202.39543	0.4
216.12483	0.8
234.14966	100.0
235.15216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1488
Annotation	Metolachlor morpholinone
Peak:m/z	Relative Intensity
62.42411	0.1
62.75761	0.1
69.27348	1.6
70.06583	0.1
72.92606	0.1
77.25678	0.1
91.05486	0.3
98.21136	0.9
99.42493	0.2
105.07037	0.2
108.41125	0.1
117.07003	0.2
118.06535	0.5
119.08556	0.2
120.08155	0.2
130.06517	0.6
131.07274	0.5
132.08084	0.7
144.08090	0.2
145.08875	0.2
146.09657	0.6
146.76187	0.2
160.11166	1.0
164.07053	0.3
165.07799	0.2
174.12706	0.2
175.06264	0.3
176.07066	26.9
177.07773	0.6
178.08542	0.2
188.07050	0.3
189.14989	0.8
190.08623	10.8
191.09422	2.5
192.10170	0.7
204.10204	8.6
205.10939	0.3
206.11777	0.2
216.13866	0.4
218.11717	0.6
234.14880	100.0
235.15144	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22116	1.1
56.96571	1.2
57.03432	1.4
61.02920	4.2
71.57890	1.4
72.08163	1.7
74.06087	2.3
84.08135	9.5
86.06064	2.0
94.92975	1.5
98.97581	1.5
101.00883	1.7
119.01891	5.1
126.09105	1.1
129.10260	1.9
129.14725	1.1
133.10518	1.2
137.02979	1.3
144.05042	1.3
158.11722	1.0
233.99304	3.2
234.06685	100.0
235.06839	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	234.1487
Annotation	Crispine A
Peak:m/z	Relative Intensity
55.05506	1.3
57.03426	2.4
57.07049	0.6
60.08158	1.4
61.08498	0.6
70.06587	1.3
70.88574	1.1
70.88916	0.6
71.17932	0.5
79.05495	1.2
81.07059	3.9
84.08121	1.1
91.05480	0.6
94.04054	0.7
101.04221	1.5
104.10728	4.9
105.11084	2.8
106.06607	0.6
113.52801	0.6
118.06519	4.8
119.03522	1.9
120.08169	1.1
124.11237	1.7
130.06502	1.6
131.06837	1.4
132.04433	0.8
132.07181	0.8
132.08089	10.2
133.08888	7.0
134.09712	1.1
136.06184	81.6
137.04579	2.0
144.08098	1.5
145.08444	1.7
146.06010	18.8
146.09660	0.9
147.06679	0.7
148.07549	0.8
157.08862	0.6
160.07561	2.6
161.08344	2.7
162.09151	4.0
162.12775	4.5
172.07545	0.6
172.11345	1.6
172.17052	0.6
174.09190	1.3
176.07089	0.7
176.10699	10.5
177.11485	10.9
190.08626	25.1
190.10719	1.0
190.12296	11.5
204.10191	1.6
205.11008	2.1
206.15396	0.7
216.14015	1.0
234.13020	15.5
234.15186	100.0
235.15396	0.8
245.86739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
52.32842	0.8
53.03939	2.9
55.01868	1.8
55.05265	1.1
55.05510	16.1
57.03429	2.4
57.07079	9.3
59.68631	0.8
60.43393	0.7
65.03944	2.0
67.05506	40.2
69.03425	1.2
69.07066	11.3
69.84216	5.1
71.04992	7.5
71.08620	1.1
79.05496	73.8
81.07059	50.3
83.04964	3.4
83.08626	10.1
85.06548	9.3
91.05483	37.0
91.06068	1.5
93.07047	82.5
95.04987	6.9
95.08611	33.1
96.01044	0.8
97.06537	9.2
97.10152	1.3
98.21519	0.9
99.08096	5.2
103.05473	0.9
105.04513	1.8
105.07036	28.2
107.04972	5.7
107.08598	48.3
109.06504	4.1
109.10152	15.2
111.08075	6.1
113.09617	1.7
115.61815	0.9
117.07018	12.7
119.08586	21.3
121.06502	2.8
121.10149	48.5
123.08038	3.5
123.11720	9.9
125.09626	2.6
129.06990	2.5
130.07761	0.9
131.08574	31.4
133.10127	26.3
135.08023	3.7
135.11699	53.8
137.09602	3.7
137.13268	2.1
139.11162	1.8
143.08549	1.3
144.09286	1.0
145.09032	1.8
145.10129	29.4
145.11275	1.6
147.11702	16.5
149.09624	8.9
149.13257	30.1
151.11179	5.2
157.10106	1.4
158.10869	1.9
159.08008	2.4
159.11700	22.1
161.13245	4.3
163.07509	1.4
163.11189	3.1
164.42140	0.8
165.12747	1.2
171.11725	1.3
172.12502	1.4
173.09570	1.4
173.11769	1.0
173.13275	20.4
175.11128	1.5
175.14809	4.1
177.05510	1.8
177.09172	1.5
177.12724	1.5
177.16293	0.9
178.06224	2.0
187.07527	2.4
187.11121	1.5
187.14799	7.7
189.16389	4.3
191.10577	1.1
191.14330	7.6
203.08464	1.1
205.19527	3.5
215.06998	2.0
215.10793	1.5
215.14363	4.4
215.17957	69.5
216.18440	1.1
218.10886	1.9
233.08134	2.5
233.11496	2.0
233.13329	3.2
233.15474	19.7
233.19000	100.0
234.19191	1.6
240.86278	0.9
250.38029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01857	2.0
55.05511	12.5
57.03424	3.3
57.07079	5.9
57.26036	0.7
65.03917	1.2
67.05508	34.0
67.70030	0.8
69.07069	9.4
71.05001	5.5
71.08617	1.2
78.04693	0.8
79.05497	58.6
81.07058	38.7
83.04984	1.8
83.08611	6.9
85.06545	7.1
85.47520	0.9
91.05481	32.2
93.07047	66.3
95.04981	5.6
95.08616	23.9
97.06525	7.5
97.10170	2.2
98.20765	1.6
98.21415	2.4
99.08082	4.6
105.04512	1.5
105.07033	21.0
107.04948	5.1
107.08601	39.1
109.06498	4.0
109.10176	11.2
110.32425	0.9
111.08101	6.8
113.09618	1.4
117.07028	11.3
119.08591	19.7
121.06533	1.0
121.10146	39.8
123.08051	3.3
123.11710	6.9
125.09639	2.1
129.07021	1.2
131.07567	1.5
131.08568	24.9
133.10139	25.2
135.08035	3.2
135.11699	48.0
136.86723	0.7
137.09622	4.3
137.13293	2.1
137.82826	0.8
139.11169	1.2
145.09023	1.6
145.10129	23.2
147.08110	0.9
147.11694	15.9
148.42783	0.8
149.09668	4.8
149.13261	24.1
151.11166	4.2
159.10426	1.6
159.11702	21.2
161.13264	4.6
163.11139	2.5
170.55159	0.8
173.13274	17.6
175.14833	2.2
177.12656	1.6
186.14174	0.8
187.14882	7.8
189.16385	3.5
191.14349	6.3
205.19609	2.2
215.06946	1.6
215.17964	65.0
233.08139	1.4
233.15602	10.0
233.19006	100.0
234.19434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1901
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
50.74228	0.6
51.02380	0.6
51.11464	0.6
53.03941	2.3
55.01857	1.3
55.05509	9.5
57.03442	3.7
57.07078	6.4
65.03926	2.0
67.05507	31.2
69.06474	0.8
69.07071	10.5
70.65752	1.9
71.04987	4.8
71.08619	1.7
79.05494	57.3
81.07058	35.0
83.04990	2.0
83.08620	6.4
85.06542	7.1
91.05481	28.0
93.07047	66.5
94.81083	0.7
95.04964	5.8
95.08610	24.6
97.06527	6.7
97.10149	1.7
99.08097	5.0
105.04527	0.6
105.07030	20.7
107.04978	1.2
107.08596	39.2
109.06531	3.4
109.10151	12.7
111.08087	7.4
113.09636	1.0
115.05395	0.9
117.07014	11.0
119.08583	19.3
121.10149	38.1
123.08070	2.7
123.11699	7.5
125.09627	1.8
129.06984	1.7
130.07758	0.8
131.08571	28.1
133.10133	19.4
135.08051	3.2
135.11694	49.9
137.09642	3.9
137.13272	1.9
139.11192	1.3
143.08533	1.0
145.09032	1.2
145.10129	24.1
147.11681	15.2
149.09630	5.6
149.13264	24.6
151.11205	3.8
159.11697	19.5
161.13248	4.5
163.11180	2.2
163.14827	1.4
165.12831	0.8
168.63330	0.6
171.11647	1.3
173.13268	17.3
175.14839	3.1
177.05460	1.8
177.12727	1.4
178.06317	1.2
187.14839	7.2
189.16356	4.3
191.06995	0.8
191.14262	1.3
205.19560	2.6
215.06972	1.6
215.17958	69.1
216.18269	1.1
227.37141	0.7
233.15271	3.9
233.19008	100.0
234.19391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
52.27772	0.8
53.03935	3.7
55.01860	1.7
55.05304	0.9
55.05513	9.8
57.03427	3.5
57.07071	7.8
65.03944	0.8
67.05502	36.7
69.07064	10.2
69.92012	1.8
69.92406	2.0
71.04987	5.7
71.08607	1.5
75.83110	0.7
77.03948	0.9
77.61525	0.7
79.05491	57.9
81.07056	41.8
83.04978	0.9
83.08625	7.6
85.06542	8.2
91.05482	29.3
93.07043	68.3
95.04989	4.4
95.08604	25.5
95.09230	1.0
97.06537	9.4
97.10159	2.0
98.20818	1.3
98.21382	1.6
99.08082	5.8
103.05441	0.9
105.07030	22.1
107.04956	0.9
107.08593	47.0
109.06510	4.7
109.10157	10.2
111.08081	8.2
113.09625	1.7
116.16296	0.7
117.07010	10.1
119.07781	1.3
119.08581	17.6
121.10140	41.3
121.37656	0.7
123.08055	3.0
123.11720	7.0
125.09620	3.0
129.06987	1.5
130.07768	1.5
131.08565	26.5
133.10124	22.4
135.08051	3.3
135.11694	45.5
137.09592	3.9
137.13266	1.8
139.11198	1.4
143.08549	0.8
145.09027	1.5
145.10123	23.2
147.11684	16.5
149.09627	5.1
149.13264	25.0
151.11125	4.1
159.11691	20.5
161.13229	4.9
163.11191	1.9
163.14723	0.9
164.85040	0.7
173.13255	16.7
175.14816	3.5
177.12720	1.3
187.14815	8.8
189.16386	4.6
191.14333	2.3
205.19507	3.6
215.17952	65.7
216.18295	1.5
233.15675	5.8
233.18994	100.0
234.19302	1.5
249.33202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03938	2.8
55.01867	1.4
55.05256	0.9
55.05509	11.6
57.03427	2.7
57.07077	6.8
65.03922	1.0
67.05505	35.1
67.38648	0.6
68.66235	0.6
69.06725	0.8
69.07071	11.0
70.02038	1.3
70.02406	2.0
71.04707	0.6
71.04999	6.3
71.08661	1.0
72.03222	0.6
77.61414	0.6
79.05494	59.8
81.07058	36.9
81.07491	0.4
81.07571	0.6
81.20491	0.6
83.04968	1.9
83.08617	7.6
85.06541	7.9
91.05480	31.0
93.07044	68.4
95.04974	5.0
95.08607	26.6
97.06530	6.8
97.10152	1.8
98.21061	1.5
99.08097	4.9
103.05455	0.8
105.04500	0.8
105.07032	21.0
105.07752	1.1
107.08595	42.5
109.06519	4.0
109.10165	10.9
111.08080	7.4
113.09619	1.9
117.07027	11.0
119.08581	20.5
121.06508	1.2
121.10141	38.5
122.10537	0.8
123.08017	3.3
123.11715	6.8
125.09607	2.0
129.06970	1.6
130.07779	1.0
131.08569	26.1
133.10133	22.5
135.08047	2.8
135.11693	48.6
137.09642	4.8
137.13234	1.9
139.11171	1.6
143.08565	0.9
144.09357	1.0
145.10127	22.3
147.11691	15.2
149.09615	5.6
149.13258	26.2
151.11189	4.8
157.10132	1.1
159.10426	1.2
159.11694	19.2
161.13258	4.2
163.11201	2.8
163.14809	0.9
165.12698	0.8
171.11761	0.8
173.13258	17.0
174.25629	0.6
175.14827	2.9
177.12730	2.2
187.14822	7.2
189.16344	5.3
191.14380	0.8
205.19513	2.5
215.14441	3.0
215.17957	63.8
225.08063	0.6
226.70836	0.8
228.04720	0.6
233.15245	2.6
233.19005	100.0
234.19351	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03937	2.2
53.58321	0.6
55.01857	2.3
55.05511	6.2
56.96556	1.1
57.03415	1.3
57.07075	4.1
59.04987	2.0
65.03926	2.0
66.61880	0.6
67.05502	9.5
69.03082	1.2
69.03432	16.6
69.07069	4.8
69.81870	3.9
70.06583	0.9
71.01340	1.0
71.04991	3.9
73.85352	0.7
76.02209	1.0
76.68295	0.6
77.03922	1.5
79.05493	35.8
81.03389	1.2
81.07060	9.2
83.04963	2.7
83.08613	3.8
85.02880	0.9
85.06540	5.3
88.07607	1.1
89.03886	2.4
91.05477	24.1
91.37477	0.6
93.07050	11.7
95.04971	23.3
95.08610	8.5
97.06509	1.3
98.21274	1.1
103.05463	2.2
104.06247	1.0
105.03376	1.8
105.04530	0.8
105.07030	21.0
107.04955	31.7
107.08599	18.1
109.02876	1.3
109.06522	7.5
109.10149	6.9
111.04433	3.0
111.08089	4.4
113.06011	3.7
115.05466	1.8
116.06214	1.3
117.03377	1.3
117.07005	7.6
119.08584	80.6
121.06503	7.4
121.09309	1.0
121.10149	14.0
122.07329	0.7
123.04417	0.8
123.08030	4.8
123.11733	3.7
123.62950	0.8
125.06070	1.0
125.09612	2.5
128.06200	2.2
129.06987	4.9
130.07779	2.3
131.04947	1.5
131.08577	19.8
133.02849	5.6
133.06505	6.8
133.09229	1.0
133.10136	12.9
135.08070	5.3
135.11696	2.3
137.09625	10.0
141.06998	2.4
142.07800	3.7
143.08548	5.0
144.05696	0.9
144.09367	1.5
145.02821	1.4
145.06490	3.2
145.10129	28.6
146.10890	1.2
147.04404	1.2
147.08051	35.7
147.10619	1.1
147.11687	12.5
149.09610	13.6
149.13264	3.6
150.10410	0.7
151.03928	2.1
151.07489	0.8
151.11162	1.8
153.09131	1.2
155.08517	2.7
156.09349	4.8
157.06432	0.8
157.10129	9.8
158.07297	0.9
158.10886	3.2
159.04445	2.3
159.08096	4.8
159.11681	5.7
160.08844	1.9
161.02330	2.5
161.09613	2.3
161.13268	3.6
163.07539	1.7
163.11206	6.0
163.14848	1.8
167.08502	3.4
169.10123	2.4
171.11668	5.6
172.12485	1.4
173.09650	7.0
173.13268	15.4
173.14677	1.2
175.09734	1.2
175.11195	17.7
177.05539	4.9
177.09143	4.1
179.03419	5.3
182.10934	5.4
185.05916	1.2
186.10396	0.9
187.07529	2.1
187.11185	2.7
187.14804	12.7
189.12740	7.8
189.16414	0.9
191.03395	80.9
191.10643	1.2
191.14304	39.2
192.03761	1.0
197.05911	0.8
197.13228	9.0
200.11984	1.6
204.04199	2.7
205.15819	2.3
209.96515	0.7
215.07109	3.6
215.10876	1.0
215.14314	19.0
215.17873	0.9
233.06084	0.9
233.08060	24.9
233.15366	100.0
233.19147	3.1
233.23021	8.2
234.15660	0.9
236.16524	0.6
243.44681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Oculatol
Peak:m/z	Relative Intensity
53.03937	0.8
55.01867	1.1
55.05499	2.5
57.03434	1.2
57.07061	2.0
59.05010	0.8
61.04021	0.6
65.03930	0.9
66.26974	0.6
67.05208	0.6
67.05508	6.0
69.03426	5.0
69.07066	1.9
69.35818	4.5
70.06577	0.8
71.04998	1.1
72.03778	0.6
76.02225	0.7
79.05495	6.4
81.03423	0.7
81.07048	4.8
83.04983	1.4
83.08617	0.9
84.08128	0.6
85.06537	1.5
85.38625	0.5
86.09686	1.7
88.03964	0.8
91.05487	9.0
93.07047	7.9
95.04974	6.8
95.08604	5.1
97.06523	1.1
98.21133	2.8
103.05482	1.6
105.06386	0.9
105.07036	12.5
107.04955	4.3
107.07353	0.8
107.08589	7.5
108.08107	2.5
109.02840	0.6
109.06531	4.6
109.10141	1.6
111.04462	0.8
111.08099	0.8
115.05440	2.5
116.06276	1.1
117.07010	3.8
118.06541	1.7
119.04928	1.8
119.08588	12.4
120.08116	1.2
121.06512	11.6
121.10149	5.0
123.04366	1.0
123.08055	2.1
125.06020	0.7
128.06223	2.0
129.06999	4.6
130.06517	2.0
130.07738	2.0
131.04936	2.1
131.08572	16.1
132.08134	0.7
133.06480	1.7
133.10130	5.6
135.08043	3.1
135.11668	1.5
136.06143	0.9
137.06017	1.4
137.09596	0.9
141.06996	2.8
143.08545	3.8
144.05672	0.7
144.08069	2.7
144.09180	1.4
145.06512	3.0
145.10130	17.2
146.06006	5.9
147.08061	1.9
147.11688	4.7
148.08815	0.7
149.05988	0.7
149.09628	9.0
149.13185	0.8
153.07037	0.9
154.06526	3.7
155.08568	2.5
156.09360	1.9
157.10139	5.8
158.05981	1.5
158.07234	1.3
158.10846	1.3
159.04442	1.6
159.06822	1.0
159.08052	11.5
159.09123	0.8
159.11685	6.1
160.07639	0.9
160.08827	0.7
161.05913	1.1
161.09529	0.8
161.13229	0.9
163.07602	1.5
163.11229	3.1
167.08566	2.9
169.06401	1.3
169.07631	3.4
169.10072	2.9
171.09238	3.3
171.11678	3.4
172.07578	0.8
172.12517	1.2
173.05959	1.1
173.09630	12.4
173.13257	8.0
175.11163	3.2
177.05568	0.7
177.09099	2.1
182.10944	5.5
185.09569	1.1
187.07347	4.6
187.08919	1.2
187.11157	4.5
187.14819	6.7
189.08873	0.7
189.10364	1.3
189.12810	4.0
191.03445	5.3
191.07008	1.0
191.10722	1.4
191.14311	3.2
197.05984	1.7
197.09671	1.4
197.13266	12.8
200.04778	1.7
200.12010	3.0
205.06465	1.1
205.08452	0.9
205.12073	0.7
209.27461	0.6
215.06998	11.9
215.10738	2.9
215.14316	31.7
215.17819	1.7
233.05934	2.4
233.08165	5.7
233.11880	3.3
233.15358	100.0
234.15573	1.2
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
53.03940	2.3
55.01867	0.7
55.05513	3.2
57.07073	0.5
67.05497	1.2
69.03433	4.7
69.07074	1.0
69.26661	0.8
69.27069	3.2
70.06583	0.4
71.04989	0.6
77.03933	0.4
79.05492	49.4
80.06255	0.4
81.07052	2.8
83.04986	0.7
83.08623	5.3
85.06545	0.5
87.04522	0.4
91.05476	3.2
93.07052	3.5
95.04967	4.9
95.08604	1.7
97.06523	0.8
98.21276	1.7
105.04492	0.6
105.07026	6.4
106.06499	0.5
107.04954	53.7
107.08590	7.7
109.06526	1.2
109.10164	0.4
111.04466	0.5
111.08077	5.0
115.05446	0.4
117.07017	1.2
119.08598	4.7
121.06490	2.1
121.10145	5.0
123.08040	1.3
125.09620	2.8
129.06987	1.0
131.08562	5.2
133.06538	0.5
133.10133	5.2
135.08058	1.5
135.11714	0.5
142.07779	1.0
143.08539	0.8
145.06488	0.4
145.10123	2.7
147.08035	0.6
147.11685	7.6
149.08545	0.7
149.09630	7.0
149.13258	2.6
153.09050	0.5
155.08568	0.5
157.10133	2.1
158.10858	1.8
159.08076	0.8
159.11684	1.0
160.08838	1.5
163.07504	0.6
163.11232	0.5
173.09596	1.0
173.13281	5.1
175.11183	9.3
182.10895	0.6
187.07533	1.4
187.11189	0.4
187.14801	0.8
189.12839	0.6
191.14305	60.7
192.14684	0.5
197.13289	1.1
215.06972	1.8
215.10748	0.4
215.14363	2.5
233.08031	1.5
233.11618	4.1
233.15356	100.0
234.15663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03941	2.2
55.01858	0.6
55.05513	3.2
57.03432	0.5
57.07067	1.7
59.05000	0.7
62.79163	0.5
65.03947	0.6
67.05513	3.5
69.03430	6.1
69.07062	1.6
70.34198	1.7
71.04987	1.8
77.03921	1.0
79.05495	40.9
80.06243	0.4
81.07056	3.7
83.04970	1.6
83.08624	4.2
85.02899	0.8
85.06541	3.9
91.05482	6.5
93.07057	6.0
95.04987	4.9
95.08591	2.8
96.36907	0.5
97.06540	1.3
103.05466	0.5
105.04527	0.6
105.06381	0.8
105.07036	10.8
107.04958	46.2
107.08598	9.9
109.06509	2.2
109.10143	0.8
109.41367	0.4
109.96378	0.4
111.04372	0.6
111.08075	4.3
113.06007	1.4
115.05429	0.7
116.06219	0.8
117.07031	3.2
119.08587	13.9
121.06512	2.3
121.10152	5.1
123.08070	1.4
125.09628	2.5
128.06209	0.5
129.06982	2.2
130.07759	1.0
131.07640	0.4
131.08571	9.6
133.10136	9.0
135.08067	3.5
135.11708	0.9
137.09625	4.6
141.06998	0.8
142.07762	1.6
142.40843	0.5
143.08569	2.4
144.09364	0.9
145.06535	1.0
145.10129	12.1
146.10899	0.8
147.08051	15.9
147.11688	12.7
149.09625	7.0
149.13263	3.0
150.10385	0.7
156.09364	1.2
157.10136	5.6
158.10887	2.6
159.08054	2.1
159.11699	1.6
160.08853	1.7
161.09630	0.6
163.07520	1.1
163.11182	4.5
167.08560	0.7
169.10118	0.8
171.11659	1.8
172.12502	1.3
173.09604	1.7
173.13284	9.4
175.11195	18.8
182.10896	1.3
187.07526	1.5
187.11186	0.8
187.14813	4.3
189.12755	6.3
191.14308	58.3
192.14639	1.1
197.13321	2.9
207.55936	0.5
215.07010	2.3
215.10880	0.7
215.14331	9.6
233.08047	1.8
233.15372	100.0
234.15610	0.6
249.27466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
56.05039	16.4
56.96568	4.8
57.03439	3.0
57.53716	0.4
58.06605	3.3
59.12709	0.4
66.09556	0.3
67.51742	0.5
68.95351	0.4
69.77222	0.7
69.77634	1.7
70.06594	1.3
72.08156	1.4
74.06085	100.0
75.04492	0.7
84.04514	3.6
84.08144	0.7
86.06077	0.5
86.09711	23.1
88.79828	0.4
98.21004	1.4
98.97594	0.5
100.99164	1.5
101.07162	1.5
110.07175	1.3
110.97561	0.6
116.98656	0.7
128.98618	0.6
129.30347	0.4
132.10217	18.7
134.08142	0.8
142.12329	1.1
143.11777	0.5
144.98152	1.0
146.99664	0.9
162.99187	0.8
165.00821	0.8
169.13443	1.6
187.07463	0.6
187.14436	10.9
190.98656	1.2
208.99710	2.8
215.13910	3.8
233.06163	0.9
233.15010	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	233.0809
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
55.05522	0.3
57.03427	0.2
57.03746	0.2
63.42751	0.2
70.01556	0.8
70.82253	0.2
79.05487	0.4
81.07063	0.4
91.05486	2.7
93.07038	0.5
95.08585	0.4
97.38972	0.2
103.05476	0.8
105.07025	1.2
107.04926	0.4
107.08591	0.4
109.10262	0.3
114.28763	0.3
115.05466	1.0
116.06250	2.6
117.07005	0.5
119.08585	0.7
121.06538	0.3
127.05507	0.3
128.06224	11.6
129.07007	20.2
131.04935	1.8
131.07695	0.5
131.08569	4.7
133.10085	0.3
137.50571	0.2
141.07008	1.1
144.05708	4.7
145.06474	1.5
145.10068	0.6
147.08052	3.6
155.04906	0.5
155.06035	1.6
156.05678	0.9
157.06476	2.7
157.07629	1.8
159.04422	0.4
159.08060	15.0
159.11658	0.4
161.05887	0.4
163.07547	0.4
169.06490	0.4
171.04404	1.0
172.05188	11.3
173.05995	2.2
173.13277	0.4
175.11269	0.3
177.08984	0.4
185.05954	1.8
187.03954	1.1
187.07549	52.6
188.07919	0.7
191.03380	2.7
191.14366	0.3
200.04692	15.9
205.04958	1.7
205.06917	0.3
205.08578	2.2
206.19093	0.3
215.07030	100.0
216.07393	1.1
218.05698	0.3
233.08095	59.2
233.15363	1.7
234.08467	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0807
Annotation	Salfredin B11
Peak:m/z	Relative Intensity
53.03952	0.6
53.08972	0.2
53.84632	0.2
55.01886	0.6
55.05516	1.8
57.03473	1.0
58.06613	0.3
65.03944	0.6
67.05505	2.0
68.99821	0.6
69.03458	0.4
69.07097	0.4
70.31218	0.2
71.05018	0.7
71.57892	0.2
75.20433	0.2
77.03960	0.8
79.05486	3.0
81.03493	0.3
81.07053	1.3
83.04988	0.4
89.03909	2.6
91.05478	5.3
91.05988	0.4
93.07018	1.2
95.04973	2.2
95.08651	0.8
95.78752	0.2
97.06573	0.3
102.04691	0.3
103.05471	1.4
105.03422	1.6
105.07020	1.7
107.04949	5.6
107.05596	0.4
107.08619	0.9
109.02856	0.3
109.06532	0.4
109.10171	0.3
111.08138	0.3
114.15923	0.3
115.05479	0.8
117.03377	1.7
117.07040	1.1
118.04243	0.3
119.04978	0.5
119.08572	1.3
120.17841	0.3
121.06522	1.0
121.10153	0.8
123.04459	1.0
123.08053	0.3
128.06255	0.4
129.07027	1.1
131.04935	2.0
131.08551	1.9
133.02849	6.4
133.03769	0.4
133.06470	0.4
133.10146	0.8
134.03667	0.3
135.04404	1.4
135.08099	0.6
135.11768	0.3
141.07027	0.9
144.05708	0.6
145.02850	2.1
145.06491	1.1
145.10162	1.5
147.04443	1.3
147.08060	0.4
147.11719	0.5
149.05936	0.5
149.09605	0.5
151.03903	2.8
157.06496	1.0
158.03712	0.4
159.04424	2.6
159.08057	1.5
159.11737	1.3
161.02347	2.6
163.03920	0.7
163.07564	0.5
169.06485	1.2
171.04428	0.4
173.02394	0.5
173.05936	0.5
173.09624	0.7
173.13275	0.6
175.11189	0.5
177.05482	5.9
177.07022	0.3
177.09079	0.4
179.03397	7.0
179.04898	0.2
185.05969	2.8
187.03876	0.5
187.07538	2.4
187.11182	0.5
187.14836	0.6
191.03392	100.0
191.14218	0.6
192.03728	0.9
197.06018	0.7
200.04701	0.9
203.07054	0.7
203.61316	0.2
204.04199	2.9
205.04898	0.9
208.99489	0.4
215.06999	4.4
215.10487	0.5
215.14348	0.6
215.17920	0.8
233.08052	25.2
233.11771	0.8
233.15335	3.9
233.18997	1.1
234.08371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05053	1.2
56.96559	3.8
69.48980	1.1
71.06891	2.1
74.06084	4.4
86.09711	3.5
94.93007	1.5
98.20992	1.2
103.02438	2.0
104.76698	1.3
119.01957	2.7
131.01978	1.6
133.03465	3.7
143.01894	2.0
151.04584	1.5
161.02946	2.2
173.80356	1.4
190.91283	2.0
191.04106	1.7
201.02534	1.5
208.99768	2.0
215.04016	2.0
233.06390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98528	1.1
67.84147	1.1
71.09406	2.8
71.48146	1.1
74.72559	1.0
78.95634	3.0
82.22865	1.4
90.93757	1.1
94.93044	2.7
99.55803	1.2
109.57698	1.2
111.02031	1.1
190.91141	1.9
232.92308	2.1
233.06328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.9
55.01879	3.1
55.05513	2.8
56.05042	4.4
56.96566	100.0
57.03443	2.9
58.06607	0.9
58.99600	0.9
58.99870	2.2
60.04525	1.0
60.95869	0.8
61.01142	0.9
61.02933	7.5
65.12441	0.7
66.82172	0.8
67.05512	0.7
68.05032	1.0
69.03429	1.5
69.07069	3.1
69.66756	3.4
69.67167	1.4
70.02934	0.8
70.06589	6.7
70.98122	15.9
70.98492	1.2
70.99876	1.2
71.95268	2.0
72.08159	13.0
72.96041	1.2
73.02921	8.3
74.06081	11.8
74.97610	3.9
74.99051	1.5
75.02701	0.8
76.06998	0.8
77.00947	0.9
82.06620	0.8
84.04496	8.8
84.08142	5.7
84.96048	5.7
85.01478	3.8
85.02913	1.7
86.06077	2.5
86.09708	21.6
87.00826	0.9
87.02692	1.2
88.03990	4.8
88.99157	8.6
90.03741	0.9
91.02481	1.0
91.05485	1.5
93.02217	0.8
95.01385	0.9
97.01508	0.7
97.07648	1.3
97.99136	0.9
98.06075	1.7
98.21190	2.5
98.97588	25.2
99.02680	0.7
99.09256	0.7
100.99147	14.6
101.00860	5.2
101.02392	1.2
101.95026	2.5
102.92704	0.7
102.96954	1.0
103.00650	4.7
103.01346	1.2
103.02450	25.6
104.10759	5.9
105.00198	0.8
107.00191	2.6
110.00636	2.3
110.02382	0.8
110.07183	2.5
110.97580	8.2
111.00228	1.1
112.99111	1.1
113.00888	2.5
113.02428	0.8
115.00740	0.8
115.02429	5.5
115.08694	16.2
116.02135	2.0
116.98620	23.6
117.01872	3.1
117.03707	7.5
117.04856	5.6
118.01056	0.7
118.08652	3.1
118.22924	0.8
119.00197	12.9
119.01907	16.9
119.96093	0.7
120.02007	2.2
120.06615	1.2
120.08135	1.2
120.86552	0.6
121.01675	10.8
121.02504	1.1
121.02683	1.1
121.03495	13.3
124.01926	1.2
125.02657	2.1
126.97044	1.7
127.01581	1.2
127.08681	3.2
128.98605	14.7
129.04802	0.9
129.10236	2.1
130.01917	1.3
130.05009	3.0
131.00171	2.1
131.01012	1.2
131.01903	14.1
132.10226	2.1
132.95842	3.7
133.01707	3.1
133.03470	64.9
134.03636	1.6
134.99654	13.3
135.03217	2.0
135.05032	0.9
137.01244	1.6
137.02953	3.0
138.01660	1.3
138.98889	1.0
139.02678	2.4
141.10199	1.1
142.04982	0.9
143.00192	1.1
143.01848	3.6
144.95792	0.9
144.98085	5.7
145.01675	2.4
145.03505	1.9
145.10059	0.8
146.03273	0.7
146.99652	19.1
147.01242	1.1
149.01212	4.5
149.02959	5.3
149.04803	1.0
150.07733	1.8
150.96902	6.7
150.99199	1.6
151.02774	3.3
151.04518	31.5
151.06332	1.5
151.07993	0.7
152.01321	1.1
152.07050	1.9
153.00697	2.6
154.94165	0.9
154.96507	1.3
156.01797	1.6
156.05162	1.2
157.03513	4.1
158.01245	1.1
158.99625	1.4
159.01349	1.6
159.03340	0.8
159.04991	1.5
159.07974	0.8
160.00316	1.6
160.02950	1.4
161.01173	4.2
161.02966	12.1
161.04826	1.6
162.96902	2.5
162.99152	11.2
163.02716	5.4
163.04533	1.6
164.99335	1.3
165.00729	20.6
165.02190	1.1
165.04257	1.3
166.02878	1.1
167.02362	0.8
167.04015	0.8
167.06403	6.6
169.03519	2.9
169.07971	1.6
170.01260	0.9
172.95274	1.1
172.97581	12.2
173.01306	3.4
173.02983	4.1
173.09439	1.1
174.99184	2.8
175.00897	6.7
175.02693	1.3
175.04532	3.3
177.00690	3.0
177.02457	5.1
179.00510	3.0
179.02205	2.5
181.00163	1.6
181.03700	1.8
182.02432	8.1
182.52580	1.3
183.01761	7.3
183.11349	0.7
185.01538	0.7
185.02951	4.0
186.96895	1.1
186.99176	1.4
187.00864	3.3
187.02762	3.2
187.04492	25.7
187.08981	1.8
187.10802	3.6
188.12816	1.1
189.00722	2.4
189.02492	2.6
189.04303	1.3
190.98642	47.7
191.00356	1.9
191.02299	13.2
191.04054	4.6
191.99043	0.8
193.00208	4.5
193.01942	1.8
193.03700	1.1
195.03456	2.2
197.02971	2.5
198.07535	1.8
199.00839	0.9
201.02527	2.2
203.02242	1.3
203.04007	6.7
204.03682	1.0
204.97911	2.5
205.00160	2.6
205.01956	2.5
205.03804	2.8
205.05524	1.4
207.01813	4.2
207.05370	1.5
208.99706	37.7
209.03360	2.3
209.95638	1.9
210.00102	0.9
210.02489	1.6
210.04428	1.6
210.06264	0.8
214.00305	2.2
215.04025	14.0
215.06790	3.4
215.14162	2.3
216.12262	2.5
217.01880	1.3
218.05475	0.9
218.98111	4.5
219.03468	2.0
220.99625	1.0
221.03253	1.8
221.05154	1.5
223.01280	1.9
227.00751	4.0
227.04306	0.8
232.97392	2.7
232.99710	5.2
233.05060	85.6
233.09502	11.9
233.15060	4.6
234.05151	2.2
236.99141	1.9
242.99977	1.6
247.06609	1.1
251.00523	3.6
251.04070	2.1
251.06334	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	232.9226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21885	1.4
56.96558	3.5
58.49834	1.3
58.91457	1.2
70.67000	4.1
78.95206	2.5
78.95634	37.7
82.59875	1.5
86.90939	1.7
94.93013	100.0
96.40226	1.5
98.21416	1.8
101.00842	1.8
119.01940	2.4
143.01936	3.4
161.02942	5.5
170.16579	1.5
170.20859	1.8
171.15486	1.4
190.91196	37.8
208.99713	2.5
232.92264	18.0
233.06316	50.9
240.91914	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
52.02543	0.2
53.03957	0.4
55.05513	10.8
56.05042	0.4
57.05811	1.0
62.65443	0.2
63.29715	0.2
70.86845	0.7
70.96894	0.2
72.08158	100.0
84.08189	0.2
86.09708	4.8
86.10226	0.3
98.20899	0.3
98.21436	0.2
129.10275	0.2
132.10201	3.4
185.16531	0.7
231.02866	0.2
231.13716	0.3
231.17041	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	232.013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05502	5.0
55.93520	1.7
56.05033	3.6
56.96570	100.0
57.03437	1.7
60.04519	5.2
60.05647	5.2
61.01141	2.2
61.02937	3.0
67.24510	1.4
69.03424	3.0
69.07066	5.3
70.06596	41.3
70.06990	5.1
70.07336	1.6
70.98122	2.8
71.05004	3.5
71.95279	1.7
72.08156	17.5
72.96047	1.4
73.02914	3.8
73.06567	1.6
73.08482	1.8
73.45209	1.2
74.06076	3.0
74.97625	2.2
81.04545	1.7
82.06557	2.2
83.01324	1.3
84.04501	5.4
84.08147	19.1
84.96031	7.7
85.02910	3.6
86.06067	2.2
86.09702	10.2
87.05597	1.8
87.10047	2.7
88.03992	2.3
90.94816	2.3
97.06535	2.0
97.07706	1.2
98.06052	1.8
98.20779	1.2
98.97597	13.6
100.03976	3.4
100.05115	5.2
100.99153	15.4
101.00894	1.7
101.02418	1.8
101.19125	1.3
106.01040	1.3
110.02406	1.6
110.07193	3.5
110.97575	10.2
111.04492	1.8
112.08748	4.5
114.09190	1.6
115.08718	6.8
116.00211	2.0
116.07088	10.2
116.97271	1.7
116.98612	9.5
118.01154	1.2
119.00198	13.9
119.01947	8.9
120.00748	1.5
120.01990	12.5
120.08075	1.6
121.01652	2.0
122.07133	2.6
124.07590	1.4
124.11250	2.9
126.00763	1.6
127.08677	2.9
128.07082	3.4
128.98605	18.4
129.10240	6.1
130.06551	2.2
130.08644	2.4
131.00124	1.3
132.05052	1.7
133.03552	1.8
134.01254	2.3
134.06003	2.5
134.99672	7.0
137.02925	3.5
138.03067	3.7
141.10315	1.6
142.01910	1.2
142.08675	3.3
142.12306	7.5
144.06482	1.8
144.98103	8.9
146.04515	2.2
146.99648	22.3
149.01228	5.1
149.97301	1.5
150.96928	1.9
151.04552	2.0
151.91492	1.6
158.09300	6.6
158.10406	1.4
160.02652	6.9
160.05174	5.1
161.01178	2.0
161.04721	1.6
162.03029	2.2
162.99162	17.0
165.00725	18.6
167.02324	2.8
172.01471	1.8
172.06059	2.4
172.10890	3.1
172.97552	7.3
173.09261	6.1
174.99120	2.8
175.11923	4.9
177.00783	3.0
178.03690	10.1
178.06290	1.5
181.00211	1.5
183.01822	6.7
185.02936	1.8
186.07724	2.5
188.04581	2.4
188.09259	6.8
188.12805	5.1
189.00806	1.6
190.02397	2.7
190.03717	6.9
190.98647	27.2
191.02293	4.6
193.00227	2.8
198.52176	1.9
204.05647	1.7
206.05760	5.2
208.01259	3.6
208.04898	6.4
208.99686	58.8
209.01559	3.2
209.04854	1.7
214.00157	2.5
214.03745	2.0
215.11430	6.0
227.00702	13.8
232.01289	4.8
232.04880	3.7
232.08162	2.7
232.09973	2.0
232.11827	9.6
232.13934	37.5
232.16643	2.4
232.99641	1.7
245.01903	7.0
250.06169	1.5
251.00696	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1017
Annotation	Mansorin C
Peak:m/z	Relative Intensity
53.03954	0.3
53.44896	0.2
55.01870	0.6
55.05513	6.4
57.02502	0.2
57.03435	0.5
60.68004	0.1
62.01635	0.2
67.05492	0.2
69.03429	1.4
70.18658	0.6
72.08147	0.5
79.05473	0.2
81.03417	0.7
81.07040	0.4
83.04994	0.2
83.86526	0.1
84.23775	0.1
85.02900	0.7
91.05493	1.6
93.07037	0.3
95.04993	0.2
95.08601	0.4
97.02868	0.3
97.06533	0.2
98.20836	0.3
98.21359	0.2
99.04440	0.3
102.04701	0.2
105.03368	0.4
105.07037	1.8
107.04965	0.3
107.08571	0.2
115.05457	9.4
117.07006	0.5
119.08599	0.6
121.06509	0.2
121.10163	0.2
127.03918	0.4
128.06206	0.3
129.07019	0.7
131.04915	0.7
131.08551	0.2
133.06491	1.7
135.04420	0.2
141.06989	0.2
142.07738	0.5
143.04929	19.2
143.08562	0.6
145.06503	0.2
145.10098	0.4
146.03708	0.2
147.04408	1.5
147.08026	0.3
148.05266	0.3
149.05977	0.4
157.06477	0.4
157.10135	1.1
160.05193	0.3
161.05984	24.5
165.07030	0.3
167.08549	0.6
170.10852	0.2
171.04424	0.9
171.11664	0.3
173.05925	0.3
173.09547	0.2
175.03906	0.9
175.07591	0.4
176.04700	4.5
177.05475	4.8
185.09621	0.5
185.13185	0.8
187.07339	0.2
189.05473	100.0
190.05789	0.8
195.08076	0.8
198.06685	0.2
201.05450	0.5
203.07021	0.3
203.10693	0.4
203.14365	0.2
213.09073	0.8
213.12755	0.5
213.16324	0.2
216.04146	0.3
231.06778	1.1
231.10162	15.8
231.13547	1.7
231.17418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0653
Annotation	Visnagin
Peak:m/z	Relative Intensity
55.05506	0.2
56.45570	0.2
69.03445	0.2
70.06561	0.3
70.10059	0.3
70.10440	0.4
74.92481	0.2
86.54980	0.2
88.78490	0.2
91.05486	0.5
97.02873	0.2
98.21049	0.5
102.43120	0.2
105.07014	0.3
115.05482	0.2
117.07032	0.2
119.08604	0.3
123.08046	0.2
128.06248	0.3
129.07022	0.3
131.04877	0.2
131.08572	0.2
143.08562	0.3
145.02817	1.3
156.02028	0.2
157.10207	0.3
159.04366	0.2
160.05161	0.4
161.05962	0.2
171.24792	0.2
173.02348	2.0
174.03128	6.0
175.07510	0.3
185.06023	0.2
185.13303	0.3
187.03920	2.9
188.04700	0.6
189.05386	0.2
198.03131	0.5
201.01837	2.3
203.06978	0.9
213.05498	0.7
213.12743	0.4
215.03415	0.3
216.04179	100.0
217.04518	1.4
231.06522	59.2
232.06880	0.9
247.02615	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03700	1.1
53.03947	18.9
55.01867	2.5
55.05511	2.4
55.57365	0.5
57.03435	6.6
61.02917	1.7
67.05502	1.4
68.99792	3.4
69.03428	100.0
69.07067	5.7
69.49252	4.9
70.06598	0.7
71.01332	0.6
71.04993	14.2
72.08150	1.3
74.06114	0.6
78.18053	0.6
79.05495	1.6
81.03417	47.2
81.07064	1.8
81.87848	0.6
83.01346	1.5
83.04990	1.3
84.08141	0.9
85.02905	46.5
86.09706	0.6
87.00296	1.1
87.00828	23.2
87.04493	0.7
90.27360	0.6
91.05483	1.7
93.07061	2.5
95.04983	0.8
95.08624	1.4
97.02894	14.3
97.06528	2.0
97.10177	1.3
98.20954	2.3
99.04453	33.4
103.05504	0.7
105.01872	4.1
105.07026	5.3
107.08643	0.7
109.02882	17.7
109.10152	1.4
115.05472	1.2
117.07047	1.6
119.08596	1.8
121.10117	1.0
122.63898	0.5
126.62025	0.5
127.03909	26.7
128.06268	1.8
129.01778	0.6
129.07016	2.3
131.04916	0.9
131.08607	1.2
133.06525	1.5
133.10165	0.9
139.11143	0.9
141.07008	1.3
142.07790	1.4
143.08582	4.4
145.04993	2.4
145.06480	1.2
145.10220	0.9
147.11676	0.7
153.07040	0.7
157.06529	0.6
157.10156	2.9
160.05165	0.9
161.06049	1.8
161.09682	1.0
167.08617	2.5
171.08018	1.3
173.09781	0.6
174.06715	0.6
175.07524	1.4
185.06073	1.0
185.09633	1.7
185.13278	2.0
189.05522	1.6
189.09151	1.1
195.08090	1.2
201.05530	1.1
203.10695	0.8
203.14427	0.8
213.03922	5.2
213.09065	3.4
213.12804	2.0
216.04185	0.8
231.04575	5.0
231.06972	3.2
231.10091	5.8
231.13728	5.5
231.15837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98630	0.3
56.96568	25.2
64.81411	0.2
68.64673	0.2
69.07053	0.5
70.70384	0.3
70.98114	0.3
71.02096	0.6
71.95261	3.3
72.96039	1.1
73.83620	0.3
74.97596	0.3
83.97648	1.6
84.96020	0.7
86.09698	3.1
98.97586	100.0
99.97913	0.3
109.99132	0.4
116.00208	2.1
116.98623	59.6
119.01923	0.5
120.02032	0.9
126.02277	0.5
127.00726	0.3
131.00154	1.0
134.01250	2.1
134.99661	21.5
140.00212	1.3
140.03839	1.3
142.05388	1.1
147.03244	0.4
149.01236	0.6
153.00716	2.6
158.01184	0.7
158.04909	2.1
160.06474	2.6
170.04851	1.0
170.08131	0.2
171.03304	0.9
176.05943	0.4
178.07550	0.5
188.05937	2.1
189.04353	5.7
202.07570	0.5
206.07018	5.8
207.05403	2.9
212.05962	0.4
213.04315	0.3
224.08061	5.8
230.05173	0.2
230.07002	9.9
231.05476	1.3
248.08073	14.2
249.06453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	11.6
57.03444	11.5
57.07068	3.0
66.98347	1.4
67.05508	29.3
68.05829	3.1
69.03419	3.6
69.07053	6.0
70.06567	2.3
71.05008	2.2
71.58378	1.4
79.05476	7.4
81.07054	16.9
82.07388	2.4
83.04982	9.4
83.08635	4.6
84.08176	1.4
84.08949	1.8
85.06526	3.0
91.05473	12.7
93.07043	6.1
95.04962	2.8
95.08607	11.0
96.08930	5.6
96.67108	1.4
97.06526	1.7
98.06049	2.6
98.97562	2.5
99.00816	3.5
105.07017	8.3
107.08594	4.1
109.06542	2.1
109.10158	21.1
110.10480	3.2
111.08070	1.6
115.05461	2.9
116.06189	1.8
117.07008	15.1
119.08572	9.0
123.04430	1.5
128.06279	4.6
129.07008	37.0
131.08572	22.3
133.06549	1.6
133.10123	5.6
135.08112	1.8
141.06940	13.5
142.07785	4.9
143.08562	8.2
145.06505	3.5
145.10123	36.9
147.08127	1.9
147.11690	2.5
153.07005	2.5
154.07864	1.4
155.08556	9.3
156.09319	2.5
157.10129	52.4
158.10779	1.7
159.08076	9.4
159.11705	16.6
161.09630	2.6
168.09344	4.7
169.10126	16.8
171.08008	2.6
171.11676	5.9
172.08864	2.6
173.06004	2.1
173.09641	6.6
173.11786	3.9
173.13277	12.4
176.15172	4.5
181.10155	2.6
182.11000	3.9
183.11705	16.9
185.09622	2.5
185.13254	30.1
186.10275	2.3
187.07588	1.7
187.11215	8.1
187.14822	3.2
194.16153	2.6
196.08881	2.3
196.12520	2.4
201.12753	7.7
201.16376	6.0
211.11270	6.8
211.14830	26.0
212.06593	3.4
229.08456	4.5
229.12416	24.7
229.15910	100.0
229.19672	4.5
229.23529	7.5
230.10246	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.03938	0.4
55.01857	0.9
55.05513	3.9
56.96571	0.5
57.03443	2.4
59.04992	1.1
62.00654	0.7
65.03931	0.4
67.05504	16.3
68.05013	2.5
69.03432	2.7
69.07063	1.3
69.32170	1.3
69.32590	2.5
70.06605	1.9
70.99561	0.5
71.04996	0.6
76.74852	0.4
79.05497	2.1
80.05010	0.6
81.07059	5.9
83.04980	9.4
83.08604	1.7
85.01138	1.9
85.02907	0.5
85.06535	0.9
86.09682	0.5
87.05215	0.4
91.05483	4.0
93.07037	1.9
95.04943	0.9
95.08614	2.3
97.06513	1.4
98.00623	1.1
99.00779	0.5
100.30931	0.4
104.86799	0.4
105.07040	3.9
106.06635	0.4
107.04961	0.4
107.08570	1.0
109.06493	0.9
109.10153	12.7
111.08077	0.8
112.02191	14.6
113.05943	0.4
115.05470	0.9
116.04944	2.0
117.05742	1.8
117.06989	1.0
118.06560	2.3
119.08587	3.9
121.06523	0.8
121.10131	1.0
121.28127	0.4
123.04408	0.9
123.11697	1.8
128.04959	0.7
128.06215	4.6
129.07039	2.5
129.10254	0.4
130.06532	30.1
131.04976	0.4
131.07397	2.2
131.08537	1.8
133.10088	1.4
137.09630	0.7
141.06964	1.3
142.06670	0.5
142.07777	1.6
143.06204	0.5
143.07343	1.1
143.08554	11.0
144.08098	2.3
144.09146	0.6
145.06483	2.2
145.07552	0.9
145.10097	1.1
146.05969	0.6
147.08051	0.4
147.11690	7.0
148.02162	8.4
148.54626	0.4
149.02963	3.4
152.06229	0.6
153.06975	2.4
154.06494	4.3
154.07664	0.8
155.06264	0.4
155.07312	11.3
155.08533	1.9
155.10620	0.8
156.08086	0.6
157.08862	1.2
157.10132	2.6
159.08087	2.1
159.11693	1.1
160.02161	2.9
162.03731	7.7
165.12787	3.2
167.07330	2.3
168.06801	1.3
168.08081	9.7
168.09366	1.7
169.07573	0.5
169.08844	1.2
169.10107	0.5
170.09656	40.7
171.08017	1.1
171.10065	0.8
172.08839	1.8
173.02930	0.6
173.05969	1.2
173.09590	1.1
173.11719	3.6
173.13159	0.8
175.11182	1.9
181.06326	0.6
181.07700	0.9
182.08449	1.0
183.07993	0.6
183.11722	3.0
185.05949	0.5
186.03723	1.8
186.10361	0.7
187.04521	0.8
187.07541	0.8
187.11169	1.3
193.10173	0.9
193.12239	0.7
195.09192	13.3
196.10056	13.5
197.10698	3.8
200.05374	2.1
201.04572	0.5
201.08987	0.8
201.12740	3.2
202.06830	1.1
211.11191	5.9
212.05269	2.3
214.05568	2.8
227.06470	0.9
228.06763	0.6
229.07954	100.0
229.12206	12.4
229.14351	10.6
229.23537	1.0
230.08252	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03943	4.8
55.01866	8.6
55.05506	26.3
57.03427	10.7
57.07051	4.8
67.05504	95.3
69.03417	8.8
69.07074	20.1
69.86541	12.7
69.86941	5.4
70.06586	3.2
71.04998	13.7
75.84735	2.1
79.05495	64.3
81.03411	5.0
81.07058	90.0
83.04978	41.3
83.08624	16.5
85.02923	3.7
85.06536	8.5
87.04496	15.1
91.05483	100.0
93.07043	46.7
95.04972	92.0
95.08601	40.0
97.06510	10.5
97.10143	5.3
98.21198	8.2
99.00827	3.7
99.04470	3.1
101.02384	3.4
103.51437	2.5
105.06374	4.4
105.07033	57.4
107.04951	23.2
107.08594	45.5
109.06519	23.7
109.10153	25.1
111.04443	11.5
111.08051	4.6
115.05418	5.2
116.06207	3.4
117.07009	22.8
119.08585	32.9
121.10144	17.5
123.08096	7.2
123.11707	12.5
125.09622	9.3
128.06194	6.3
129.07005	33.3
131.08568	40.5
133.06482	8.7
133.10133	58.7
135.08046	34.4
135.11661	5.4
137.09590	3.6
141.06989	9.0
142.07765	7.3
142.15910	4.9
143.08556	7.3
145.06470	3.5
145.10115	18.4
147.08017	3.4
147.11691	38.3
149.09633	25.2
151.11195	35.6
153.07077	3.2
155.08524	6.6
155.10655	3.2
157.10139	28.0
159.11676	4.9
165.09129	3.3
165.12740	23.7
169.10146	17.0
173.09587	5.8
173.11809	5.0
173.13179	6.7
175.11185	33.7
182.97086	2.7
183.11659	9.6
185.13255	9.4
187.11172	6.7
193.12239	42.0
196.08795	3.6
201.12726	6.0
201.16402	3.8
211.11382	6.3
211.13014	15.1
211.14861	11.8
229.12299	21.6
229.15941	39.4
229.19336	5.0
229.23566	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	229.1435
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
53.03954	6.4
54.36367	3.4
55.01869	9.6
55.05511	27.7
56.96556	3.6
57.03431	12.6
57.07082	5.2
64.72758	2.8
67.05164	5.8
67.05505	71.1
69.03433	16.4
69.07066	17.3
70.06587	12.0
71.04990	6.7
71.19098	4.8
79.05495	23.2
81.07056	85.6
83.04990	52.4
83.08627	9.4
85.06519	6.5
86.06126	4.4
91.05479	50.3
91.54318	3.1
93.07047	21.8
95.04968	15.0
95.08611	22.1
97.06544	14.1
99.00821	7.0
105.07026	52.4
107.08608	22.9
109.06528	11.4
109.10155	47.3
111.59337	3.2
113.96392	3.2
115.05454	6.2
117.07003	12.7
119.08578	53.8
119.09367	5.9
121.06537	6.6
121.10140	22.8
123.04441	9.1
123.08048	5.5
123.11713	31.8
128.06226	6.7
129.07007	29.3
130.07809	3.2
131.08580	34.4
133.06462	4.4
133.10146	12.2
135.08032	4.8
137.05992	4.2
141.06964	10.4
142.07788	14.7
143.08557	14.2
145.06532	10.2
145.10118	41.9
147.08054	5.0
147.11694	89.2
149.09637	7.6
152.06122	4.5
153.06966	9.0
154.07738	6.7
155.08562	24.3
156.09337	4.3
157.10147	57.9
158.07272	4.5
158.10898	5.7
159.08043	23.6
159.11737	14.5
165.12762	41.0
167.08598	4.2
168.09360	13.3
169.10095	18.5
171.08040	6.6
171.11659	9.5
172.08835	12.1
173.06003	6.2
173.09618	23.9
173.11845	6.1
173.13303	15.0
175.11189	22.0
181.10147	4.4
183.08145	8.7
183.11618	29.5
185.09659	4.0
185.13263	13.8
186.06790	8.8
186.10420	6.8
187.07454	3.8
187.11220	17.4
187.14870	6.3
193.10271	5.9
193.12294	12.0
196.08896	19.3
199.07489	4.7
199.11304	3.8
201.09109	13.5
201.12717	26.1
201.16391	7.5
211.11255	28.6
211.14862	13.7
214.09782	4.0
222.27225	3.5
229.05023	5.0
229.08675	49.8
229.12256	100.0
229.14354	77.6
229.15994	46.3
229.19618	10.1
229.23586	11.4
230.19130	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	229.1436
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
51.78178	1.9
53.03942	4.7
55.01862	8.7
55.05518	36.1
57.03439	12.1
57.07066	4.6
59.05002	4.4
65.03927	4.9
67.05508	100.0
68.05827	2.3
69.03441	17.4
69.07073	23.5
70.06590	4.4
71.04994	14.1
71.57610	3.6
79.05056	3.7
79.05495	62.0
81.03401	6.2
81.07061	82.1
82.07349	3.2
83.04982	56.8
83.08644	14.7
84.08149	3.1
85.02914	3.2
85.06521	6.1
85.60078	2.1
86.06039	3.3
86.09710	2.4
87.04465	14.6
91.05487	97.8
93.07050	42.9
95.04972	84.3
95.08620	38.3
97.06523	10.8
97.10150	5.6
98.06068	3.5
99.00840	5.4
99.04448	4.8
101.02382	5.8
105.07036	61.0
107.04964	21.6
107.08599	45.1
109.02882	2.8
109.06528	34.4
109.10160	35.0
111.04427	11.0
111.08018	4.1
115.05424	5.7
116.06224	2.7
117.07011	21.2
119.01904	2.3
119.08584	36.7
121.06517	5.5
121.10137	17.0
123.04414	5.8
123.08064	7.4
123.11691	9.7
125.09599	9.6
128.06241	5.5
129.07011	36.6
131.08582	48.6
133.06485	12.4
133.10127	47.1
133.97444	3.0
135.08054	25.6
135.11676	8.9
137.09656	4.5
141.06987	11.8
142.07788	8.9
142.15904	5.5
143.08545	15.9
145.06464	7.0
145.10135	21.9
146.07303	2.6
147.08032	8.2
147.11697	31.8
149.09625	20.4
151.11188	33.1
153.07013	6.2
155.08517	12.2
157.10144	28.1
159.08025	10.9
159.11696	6.6
161.09605	2.2
165.12769	17.8
167.08583	3.5
168.09392	8.3
169.10162	17.2
169.14186	3.4
170.10870	2.6
171.08031	5.7
171.11748	5.0
172.08817	5.3
173.05971	3.0
173.09618	12.9
173.11717	5.8
173.13123	11.7
175.11186	27.3
176.15163	2.7
181.06416	3.0
183.11673	17.9
185.09550	3.8
185.13301	11.0
186.10329	4.5
187.07545	3.7
187.11234	11.9
187.14836	3.3
193.12227	32.2
193.88618	2.3
196.08797	8.5
199.07436	3.0
201.09058	3.1
201.12741	17.6
201.16344	3.9
205.98730	3.0
211.11502	17.7
211.13239	9.4
211.14958	14.7
229.08508	10.0
229.12286	59.8
229.15955	54.8
229.19341	15.8
229.23500	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	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.03942	7.7
55.01875	5.5
55.05513	33.0
56.96570	5.9
57.03433	22.0
57.07056	8.8
59.04992	8.8
67.05501	100.0
69.03446	13.3
69.07076	14.5
69.47973	26.3
69.48380	11.0
70.06593	29.6
71.05002	13.8
72.08124	6.8
79.05492	25.6
81.03419	79.6
81.07056	45.1
83.04983	37.6
83.08640	29.6
85.02899	14.7
91.05469	38.8
93.07054	19.1
95.04971	34.5
95.08600	16.9
97.02877	5.5
97.63477	5.6
98.20932	18.2
99.00847	7.3
105.07047	36.6
107.04968	5.6
107.08611	10.9
109.06549	7.9
109.10150	82.2
111.08084	15.2
115.05396	5.8
117.07038	11.0
119.08585	28.9
121.10184	12.6
129.07024	19.2
130.06564	7.5
130.07788	5.2
130.13689	5.1
131.08521	27.3
133.10143	11.2
133.45242	5.2
137.09608	6.7
142.07773	6.1
143.08537	9.2
145.06491	7.2
145.10161	29.3
147.11707	21.5
149.09633	8.2
155.08563	11.8
155.10651	6.0
157.10143	27.8
159.08012	8.3
159.11693	14.1
168.09346	11.6
169.10124	11.4
173.09608	11.7
173.11714	18.1
173.13155	12.2
175.11208	17.6
183.11749	18.0
185.13280	5.9
186.26201	6.0
187.11243	12.7
193.12245	78.8
196.08800	6.5
201.05376	7.2
201.12781	8.0
211.07739	6.6
211.11246	8.2
211.13216	95.9
229.04922	12.2
229.08084	43.5
229.12285	64.0
229.14049	10.5
229.16153	36.9
229.19476	24.0
229.23518	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	229.1433
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
52.43670	0.7
55.05512	7.8
57.03439	17.7
57.07055	1.9
59.05005	5.0
65.03917	1.8
67.05505	100.0
67.39169	0.7
69.07047	2.2
69.83591	1.9
69.84012	3.3
70.06557	1.0
71.05005	4.9
76.29414	0.7
79.05474	1.7
81.07059	13.3
83.08633	6.0
83.22272	0.8
85.06553	2.3
91.05470	5.9
93.07019	3.0
95.08619	4.4
98.20799	1.9
98.21449	1.8
106.61144	0.8
107.08580	2.5
109.10159	84.8
110.10440	1.3
111.08048	2.7
119.08580	6.4
127.06585	0.8
137.09668	3.8
150.28481	0.7
155.10695	5.4
157.10214	1.3
172.35863	0.8
173.11745	24.6
183.11642	0.9
229.12131	2.1
229.14326	27.0
229.23506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
51.26577	1.6
53.03941	5.2
55.01875	13.9
55.05513	30.9
57.03180	2.8
57.03440	40.4
57.07066	3.3
59.04995	4.9
65.03928	3.5
67.05508	74.0
68.05012	1.8
69.03431	7.6
69.07066	18.4
69.83795	5.5
69.84208	4.7
70.06593	67.0
71.04996	46.7
71.05374	1.2
71.82188	1.8
72.08165	2.6
79.05495	24.6
81.03423	5.7
81.07058	41.6
83.04992	17.3
83.08620	27.5
84.04514	2.1
84.08136	4.8
85.02904	14.3
85.06554	6.4
86.09721	13.3
91.05482	24.2
93.07045	20.9
95.04987	8.8
95.08610	37.3
97.06532	23.3
98.21120	4.3
99.00831	3.6
99.04464	6.0
99.08106	3.6
105.07033	18.8
107.04966	8.2
107.08604	16.0
109.02869	2.6
109.06518	10.5
109.10156	55.0
111.04459	3.5
111.08083	15.3
111.08787	2.3
113.05965	2.6
115.05460	2.6
116.07095	4.7
117.07052	3.0
119.08580	17.9
121.06523	6.3
121.10162	6.0
123.04447	3.5
123.08064	7.3
123.11712	14.7
124.84743	1.6
125.05999	3.4
125.09633	8.8
127.03913	7.0
127.07586	1.9
129.05490	6.0
129.06996	3.9
129.09077	3.9
131.08557	5.1
133.06464	3.7
133.10127	18.5
134.72148	1.6
137.05989	4.8
137.09641	12.0
139.07448	1.8
145.10136	4.2
147.11685	17.2
151.11172	16.0
153.06992	1.9
155.07045	18.1
155.08427	4.3
155.10609	2.1
157.10143	4.6
159.08058	2.9
165.12802	6.3
168.05699	2.0
168.09375	3.3
169.06425	2.1
169.12245	100.0
173.05933	5.3
173.09596	3.1
173.11777	11.4
173.13258	2.9
175.11194	10.5
179.02831	2.9
183.08032	2.8
183.11681	5.1
185.13194	1.7
187.11136	1.9
193.12227	24.0
196.08945	2.2
201.05371	2.0
201.12595	2.8
211.07683	2.5
211.11314	4.8
211.13275	33.5
229.02794	2.8
229.04834	13.7
229.08633	6.5
229.12218	16.0
229.14424	16.5
229.23601	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	229.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06602	4.5
71.56863	4.9
76.04781	2.9
78.95638	3.5
100.02473	3.5
101.00917	12.9
106.15962	2.3
108.53172	2.8
118.03532	3.8
119.01924	31.4
131.01903	3.1
131.10527	2.6
133.03445	5.2
136.04555	3.6
137.02905	5.4
141.05109	3.9
142.03484	4.8
142.08624	2.9
159.06093	4.2
184.04567	11.1
187.00887	9.6
187.05659	9.7
205.06862	5.3
215.00316	4.2
228.86592	3.1
229.03215	100.0
229.06572	4.8
229.15527	9.7
236.45100	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	228.1383
Annotation	lycorenan
Peak:m/z	Relative Intensity
53.03953	1.8
55.01874	1.0
55.05513	4.5
60.08168	0.5
65.03942	0.5
67.05509	24.6
69.03434	0.8
70.41608	1.1
74.49760	0.3
79.05501	0.5
81.07054	1.8
83.04999	0.4
83.08634	0.7
91.05486	9.9
93.07049	11.5
95.04991	2.7
95.08642	0.3
98.21346	0.3
105.04536	0.8
105.74474	0.3
106.06586	0.3
111.08086	3.4
111.64196	0.3
117.05772	11.0
117.72587	0.3
118.06549	100.0
119.06890	0.5
125.33405	0.3
130.06535	13.3
144.08127	0.4
156.08115	0.5
158.09665	1.0
159.10374	0.3
164.32582	0.3
167.07346	0.9
168.06641	0.4
168.08087	6.0
180.08107	0.4
181.08867	1.8
182.09648	0.7
186.09206	0.4
203.58403	0.3
210.12776	6.2
220.55348	0.3
228.13850	27.9
228.23232	1.7
228.26854	2.6
229.14223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.05502	0.9
57.07077	2.2
60.08167	5.3
67.05503	1.0
69.94801	0.9
69.95193	0.7
71.08630	1.0
72.04495	0.7
72.49151	0.3
73.65301	0.3
79.05502	0.6
81.03422	1.5
81.07072	1.0
91.05494	0.5
93.07028	0.7
95.08595	0.9
97.10169	0.3
98.20953	0.8
103.05469	0.6
109.06503	2.4
109.10163	0.8
111.08077	0.8
116.10747	0.4
118.06547	1.0
120.08117	0.5
130.06531	100.0
131.06828	0.4
131.08553	0.4
134.32658	0.3
135.08038	0.6
146.06059	0.4
175.14798	0.6
180.08014	0.4
181.08789	0.5
182.08130	0.4
182.09621	0.8
184.11157	0.8
200.11075	0.4
210.12862	0.6
228.08424	0.5
228.10400	0.7
228.13939	2.5
228.23361	9.1
228.26859	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	10.3
57.87085	0.6
70.06606	1.1
71.02845	1.4
72.29940	0.7
74.97629	0.7
84.08139	1.0
90.05094	0.6
98.21275	0.7
98.97569	3.0
107.04974	0.7
112.07614	1.2
116.98618	1.1
138.02289	0.9
149.01265	0.7
156.03328	87.7
168.03323	19.3
174.04398	78.6
186.04393	100.0
192.05437	9.9
197.05977	0.8
200.06058	1.2
204.05452	75.3
209.05965	2.1
222.06543	3.4
227.06999	1.4
228.05438	17.4
246.06519	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03926	2.1
55.01875	8.8
55.05510	32.5
57.03435	7.4
57.07048	4.8
59.04988	1.9
66.77800	1.1
67.05504	28.3
69.03406	4.4
69.07069	46.9
69.90318	2.5
69.90732	4.7
70.06573	1.2
71.04994	87.8
71.08604	1.1
73.06541	2.1
79.05495	28.2
81.03395	2.4
81.07057	48.5
83.04996	9.5
83.08168	1.2
83.08609	8.5
84.08136	1.7
85.02882	1.4
85.06553	8.1
87.04445	5.1
91.03002	1.4
91.05474	9.7
93.07050	35.6
93.68923	1.2
95.04950	2.7
95.08607	33.6
97.06532	62.8
97.10168	25.1
98.20927	1.9
98.21478	1.5
99.08068	2.3
100.11231	9.8
101.05989	1.8
105.07045	8.1
107.04964	2.0
107.08591	21.2
109.06497	2.9
109.10123	5.4
111.08042	4.9
111.11676	4.2
113.06016	1.6
115.11230	1.3
117.06988	3.4
118.87838	1.1
119.08587	6.1
120.05649	1.4
121.06476	3.4
121.09326	2.0
121.10140	30.0
123.08018	4.5
123.11660	4.4
125.09631	7.4
128.06140	2.0
129.06970	2.5
131.07724	1.7
131.08577	16.0
131.97432	1.7
133.10117	1.9
135.08038	3.9
135.11667	1.2
139.11180	18.4
141.06937	2.2
142.03177	1.1
142.07788	2.4
143.08533	3.5
145.10080	5.6
147.11610	4.7
149.09566	5.2
149.13261	5.8
153.09065	2.1
155.08551	2.6
156.09261	2.1
157.10068	3.4
160.42291	1.3
163.11160	1.8
163.14803	2.1
167.08508	1.8
171.07991	2.2
171.11618	3.9
173.13255	13.2
181.10081	3.4
182.08134	2.7
183.11755	8.4
185.09685	2.2
185.13283	3.0
189.11252	1.1
191.10567	1.4
191.14273	7.2
194.10817	2.1
199.11140	2.5
199.14757	3.5
203.12700	5.3
209.13649	3.2
209.15335	67.7
212.08208	1.6
220.84038	1.3
223.52534	1.2
227.06969	3.0
227.10649	7.6
227.14323	12.4
227.16351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.03958	2.4
55.01873	5.4
55.05512	24.6
57.03438	100.0
67.05507	20.2
69.03421	4.0
69.07054	10.2
70.06608	3.5
70.38577	4.6
70.38943	4.7
71.04981	7.0
72.93775	3.1
78.13522	2.1
79.05493	84.8
81.03429	2.4
81.07054	43.3
83.04974	9.8
83.08622	11.2
85.06541	3.8
86.09719	4.6
91.05486	13.0
93.07033	21.4
95.04954	2.9
95.08601	7.1
97.06534	3.6
97.10163	8.4
98.06012	2.6
98.21301	4.2
100.11266	22.6
101.00603	4.2
103.03925	2.7
105.07043	8.6
107.04952	4.3
107.08597	38.5
109.06501	7.1
109.10136	2.6
111.08082	6.9
113.80437	2.0
113.96404	3.5
115.05462	2.7
117.07016	9.6
119.08552	4.8
121.06540	3.2
121.10139	4.7
123.08076	3.5
125.09641	29.3
128.06250	3.5
129.07010	4.4
130.06573	6.0
131.97403	3.8
133.10120	3.0
135.08067	24.1
135.11703	2.9
141.06966	2.7
142.07771	3.2
143.08510	4.1
145.10103	3.9
152.84366	2.0
153.09094	16.7
156.09338	3.7
157.10202	5.0
163.11223	7.7
165.07083	2.1
166.07718	2.1
167.07211	3.3
167.10756	2.4
168.08073	8.9
169.10118	2.4
171.07971	2.7
171.11661	8.9
179.02657	2.3
181.10095	4.5
181.12250	2.8
185.09642	4.3
185.13275	3.2
189.11304	3.5
191.10675	4.4
199.11192	4.1
209.11603	4.2
209.16615	3.4
212.08279	2.9
227.06760	8.5
227.10591	5.6
227.12447	16.9
227.14401	11.2
227.17865	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.03936	4.9
55.01868	5.4
55.05509	21.6
57.03421	6.8
67.05504	24.4
69.03431	1.9
69.07063	12.3
70.35841	5.2
71.04988	4.3
73.02888	1.6
73.16971	1.7
79.05061	2.3
79.05495	37.9
81.03397	2.9
81.07059	24.3
83.04968	4.5
83.08617	14.4
91.05481	11.2
93.07048	45.9
95.04976	8.7
95.08607	57.6
97.02858	3.9
97.06507	6.0
97.10160	3.6
98.20985	2.3
99.04436	7.7
100.11250	5.0
105.07037	12.3
107.04967	10.7
107.08604	36.6
109.06540	2.6
109.10122	3.3
116.06054	1.5
117.07011	10.2
119.08575	12.6
121.06530	8.5
121.10148	18.6
125.05972	5.1
130.07765	2.3
133.10152	3.0
135.08018	3.8
135.11690	66.6
139.07503	3.6
143.08591	2.8
145.10120	30.4
149.09587	3.6
153.12733	1.6
155.08578	2.3
157.10208	1.9
163.11179	81.4
177.09088	1.7
181.10629	2.3
181.12218	19.5
189.11320	1.5
209.11661	3.1
227.12758	100.0
227.17766	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01854	3.8
55.05301	1.0
55.05509	11.5
57.03435	100.0
59.93708	0.9
60.32047	1.0
65.03917	1.1
67.05501	11.5
69.03436	1.3
69.07067	5.8
69.95981	4.4
71.01336	1.7
71.04990	1.1
72.93771	1.3
79.05492	80.2
81.03408	1.1
81.07055	34.6
83.04549	1.2
83.04967	6.4
83.08590	4.0
84.29863	0.9
85.06551	1.2
91.05479	11.4
93.07031	12.4
95.04967	1.3
95.08585	3.8
97.06528	1.7
97.10162	4.2
98.21103	2.6
98.63260	0.9
100.11250	7.2
103.03921	2.9
105.07029	3.9
107.04974	1.3
107.08593	35.8
109.06507	3.9
111.08064	4.8
112.53173	0.9
113.96338	1.4
115.05438	1.0
116.82337	0.9
117.07010	8.3
122.67246	0.9
125.08739	1.9
125.09624	27.3
129.05452	1.4
135.08044	24.8
135.11697	1.2
143.08536	1.4
149.59023	0.9
153.09093	14.5
156.09349	1.1
167.10710	1.2
171.11636	1.6
199.11353	1.2
209.16536	1.1
212.08327	1.3
227.06429	1.3
227.10573	2.4
227.12642	16.2
227.17740	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	227.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
54.83968	0.8
55.01868	4.8
55.05512	11.3
57.03436	100.0
57.07068	1.0
59.04976	1.7
65.03939	1.1
67.05505	11.2
69.03425	1.3
69.07063	7.2
70.16639	1.8
70.17057	2.3
71.01343	0.8
71.04990	1.4
72.93792	0.9
79.05492	80.0
81.03421	1.3
81.07056	33.9
82.48063	0.8
83.04977	5.8
83.08600	2.2
85.06519	1.6
91.05479	10.3
93.07034	11.3
93.18369	0.7
95.04947	3.3
95.08595	3.6
96.33458	0.9
97.06498	1.8
97.10175	4.2
98.20949	1.6
100.11261	6.4
103.03932	2.7
103.25902	0.9
105.07036	3.7
107.04922	1.3
107.08591	36.4
109.06512	4.7
109.10142	1.8
111.08086	4.0
113.96384	1.0
115.05451	2.2
117.07005	8.2
121.10172	0.8
123.08070	0.9
125.09624	25.4
130.06476	1.0
135.08046	23.7
142.07811	1.1
143.08571	1.6
145.10147	1.2
153.09105	13.6
156.09367	1.3
157.10158	1.0
166.07811	1.0
171.10234	1.1
171.11668	1.8
172.83656	0.8
181.10167	0.9
184.08864	1.1
185.09656	1.1
199.11166	2.2
209.11746	1.0
212.08350	2.1
227.06342	7.0
227.10570	4.7
227.12741	13.8
227.17804	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.03943	1.4
53.61107	1.3
55.01868	32.1
55.05507	6.5
57.03436	2.7
57.07066	4.2
67.05510	11.4
69.03426	4.3
69.07066	16.8
70.63201	3.8
70.63558	1.9
71.04989	6.6
72.93742	1.3
79.05492	13.4
81.07054	13.4
83.04967	2.5
83.08614	2.8
85.06537	15.4
87.77055	1.4
91.05477	6.6
93.07047	15.6
94.32239	1.4
94.91273	1.4
95.04969	6.3
95.08614	21.3
97.06536	17.5
99.04449	6.6
100.11271	7.4
105.07024	15.2
107.05012	1.8
107.08591	32.1
109.06525	8.5
109.10112	1.9
111.04467	1.8
111.08095	3.5
113.05998	4.9
117.07019	2.1
119.08600	5.0
121.06522	7.3
121.10139	11.4
123.08069	13.4
125.05980	2.1
127.07517	1.5
128.06195	1.6
129.07039	2.4
133.06525	1.7
135.08058	2.5
135.11700	8.1
135.60545	1.5
139.11197	3.1
142.07788	2.4
143.08492	2.4
145.10100	12.5
147.53136	1.4
149.09637	4.0
151.07545	13.6
153.09103	1.7
155.08539	2.0
156.09459	2.1
163.11172	25.2
167.10660	6.1
169.08606	100.0
171.11664	3.4
181.10107	1.5
181.12231	9.9
185.13170	1.9
188.28276	1.7
191.10634	8.4
199.11176	2.6
209.11707	7.3
209.16431	1.8
218.50920	1.4
227.07062	4.4
227.10655	6.4
227.12759	11.3
227.14697	2.2
227.17824	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	227.0915
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
53.03939	1.6
55.01665	0.5
55.01881	5.5
55.05511	4.9
56.05031	0.7
57.03434	1.6
65.03947	7.8
67.03561	0.6
67.05222	0.5
67.05510	5.2
69.03395	1.3
69.07059	2.3
70.06581	1.9
71.04988	1.1
72.08153	1.3
73.02921	34.8
79.05486	2.5
81.03410	1.1
81.07047	1.9
82.00523	0.7
82.04193	2.2
82.06569	1.6
83.04975	0.7
83.08611	2.5
84.04504	0.8
84.08142	1.6
85.02905	4.9
85.06548	1.0
86.09708	6.4
91.03967	1.0
91.05489	3.0
93.03394	1.6
93.07035	2.4
95.04977	9.0
95.08587	0.9
97.02887	1.4
97.06540	3.9
97.10168	1.3
98.21030	0.6
100.11259	18.7
103.05473	0.9
105.07030	1.1
107.04945	1.7
107.08594	2.0
108.02091	1.6
109.06509	1.5
110.03668	4.4
110.07158	0.8
111.04416	2.2
111.08009	0.8
116.07112	0.7
118.80963	0.6
119.08564	0.8
120.05713	0.7
121.02835	1.4
121.06518	1.4
121.10117	0.9
122.03214	1.8
123.04449	9.4
123.08077	1.9
125.02317	2.8
125.06014	3.1
125.09659	1.1
128.06198	0.6
131.08568	0.9
135.08098	1.1
135.11658	0.6
138.03113	1.2
140.04689	50.7
142.02609	2.6
149.06010	1.4
149.09627	0.7
149.13170	0.8
153.05452	1.8
153.06839	0.6
153.09055	0.9
155.07037	59.1
156.09410	0.9
163.11227	1.0
165.12929	0.6
166.06364	0.8
167.07120	3.1
171.06575	5.5
171.07935	1.0
171.11760	1.1
173.08130	4.6
173.13280	0.6
179.07051	3.0
181.04964	100.0
181.08356	3.9
182.05299	1.3
182.15335	0.8
191.10686	1.3
199.07480	0.6
199.11208	1.6
209.08093	19.3
209.11816	0.7
209.16580	3.3
210.11284	1.6
210.14806	0.8
212.08330	1.1
222.14017	0.5
227.07040	1.1
227.09033	14.6
227.14253	1.0
227.17599	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	227.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01873	6.4
55.05512	4.5
55.87749	0.6
57.03436	1.2
57.07062	1.0
59.50507	0.7
65.03941	8.0
66.49095	0.8
67.05502	5.0
69.03412	1.6
69.07048	2.3
69.64075	2.4
69.64501	2.1
70.06593	3.7
71.04992	1.0
73.02917	37.0
78.26147	0.6
79.05490	3.9
81.07049	1.9
82.04192	3.3
82.06571	1.8
83.04964	0.8
83.08625	3.2
84.04511	1.2
84.08150	1.2
85.02906	5.2
85.06528	0.9
86.09702	7.0
91.03955	1.0
91.05473	2.5
93.03403	2.4
93.07043	3.1
95.04976	8.1
95.08596	1.7
97.06553	3.3
99.04433	0.9
100.11260	20.9
106.52051	0.7
107.04961	1.2
107.08580	2.4
108.02100	2.1
109.06527	1.6
109.10141	1.3
110.03688	4.2
110.07160	0.9
111.04397	3.1
116.07124	0.7
118.85982	0.6
121.02891	0.8
121.06480	2.1
121.10148	1.0
122.03226	1.2
123.04433	9.4
123.08067	2.1
125.02352	3.4
125.06010	3.6
125.09596	0.8
128.06291	1.0
131.08591	1.5
131.97336	0.7
138.03114	2.6
140.04686	57.1
141.07030	0.8
142.02657	3.2
143.08572	1.1
148.02722	0.6
149.02299	0.7
149.09660	0.8
153.05457	2.6
155.07033	62.7
156.07545	0.9
156.09337	1.4
165.06931	0.7
166.07805	1.0
167.06990	3.7
171.06607	6.0
171.11710	1.7
173.08119	4.8
179.07027	2.8
181.04961	100.0
182.05328	1.3
182.15479	1.0
184.08763	0.8
191.10693	1.0
199.07513	2.1
199.11142	2.1
209.08086	20.6
209.09731	1.1
209.11774	1.0
209.16486	2.6
210.11282	0.9
212.08340	2.6
212.93605	0.7
213.94150	0.8
227.07057	1.6
227.09120	12.8
227.10724	2.9
227.14037	0.9
227.17627	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	227.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.05512	0.9
56.96568	2.2
58.99846	1.3
59.79253	0.8
69.03416	2.1
71.51396	1.2
75.56561	0.7
76.62309	0.7
84.96053	1.0
89.88393	0.8
97.02876	2.7
98.97601	4.3
99.04490	4.5
101.00882	16.5
102.00971	1.7
103.00624	7.1
109.02886	1.8
109.10114	1.0
115.02471	1.7
116.98647	4.3
119.01929	66.5
120.02004	8.2
121.01672	38.3
127.02432	2.7
127.03918	9.8
129.03993	2.1
131.01976	1.8
133.03467	2.4
134.99648	2.6
136.99681	4.1
137.02968	20.5
138.03046	2.6
139.02702	13.9
142.03499	4.7
142.98553	1.7
143.01884	2.1
143.03612	1.9
144.03247	6.6
145.03471	22.6
149.00856	1.1
153.00677	1.1
155.00706	2.3
155.01909	3.6
157.02206	1.5
157.03481	26.8
159.05043	1.8
160.04436	1.0
160.99614	6.7
161.02951	2.3
161.04802	0.9
162.03027	0.9
162.04305	3.4
163.02682	1.9
163.04527	6.1
167.01915	4.8
169.03439	5.2
171.04999	3.1
173.02985	24.0
174.03096	1.1
175.04526	7.4
177.00960	4.5
177.02599	1.6
178.01053	4.2
179.00710	100.0
180.00873	2.5
181.00520	1.1
181.03558	7.3
185.02971	80.0
186.03012	2.1
187.04539	22.6
190.00836	1.2
191.04025	5.3
191.49428	0.8
191.99533	3.0
192.49362	0.9
195.03804	1.9
197.02992	3.4
199.04549	11.9
199.06310	0.7
199.11295	0.9
200.49919	2.5
200.99974	6.6
201.49925	3.5
201.99829	1.1
202.02365	1.0
203.00935	4.3
203.04010	33.8
204.05321	4.9
205.05603	1.5
208.04504	2.0
209.02985	1.8
212.50871	2.2
215.04016	26.2
217.05655	1.7
219.01941	2.3
219.03845	10.6
220.02115	2.1
221.01782	87.2
221.05147	5.6
222.01944	4.0
222.06143	3.8
227.00568	4.1
227.04016	22.1
227.06111	1.5
227.10797	1.6
233.05106	15.3
235.03516	1.0
236.00548	1.2
244.03438	2.4
245.01884	18.4
245.05072	27.9
246.05209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.1
56.96569	7.9
57.03443	21.9
58.99859	3.9
61.02929	100.0
69.03429	3.9
70.06587	2.9
70.69034	6.1
70.99855	2.8
72.25878	2.3
73.01398	2.3
73.02914	5.1
76.58684	1.9
77.00892	4.1
84.04501	2.7
84.08089	2.5
85.02911	8.9
87.00813	5.6
89.00879	2.5
91.02458	4.5
98.21041	3.0
98.97580	5.6
100.02503	5.4
101.00903	13.4
101.01516	3.0
109.03487	2.7
110.07188	6.9
113.00860	2.3
113.02400	6.3
115.02443	10.5
119.01932	34.2
126.98803	6.1
127.03902	4.5
129.03981	2.8
131.01891	6.4
133.02391	7.0
133.03488	16.0
137.02942	5.8
142.02913	16.3
143.01860	4.0
143.02843	2.9
144.99820	35.0
145.03461	4.3
146.00006	2.7
147.01385	3.5
148.02939	10.8
149.02844	5.0
153.02161	3.4
156.07651	2.2
157.03496	4.2
159.01390	9.5
161.02972	5.7
162.02676	4.8
163.00928	5.4
163.04523	3.4
167.01923	17.8
167.04088	3.2
167.52040	2.9
168.99908	2.8
171.01353	5.0
172.99332	12.2
173.02959	6.0
174.02650	4.3
175.00931	2.9
176.02385	12.2
177.02472	16.7
183.03223	5.0
185.03000	6.8
187.00858	14.3
188.02519	5.3
189.02502	6.8
191.00359	5.4
191.04007	4.8
195.03467	2.5
196.00967	5.1
197.03056	5.0
199.01018	3.3
201.02448	5.4
203.04062	5.4
205.02034	15.9
209.03091	2.1
212.98801	5.6
214.02031	3.3
215.00406	5.8
217.02037	6.5
219.03510	9.1
220.49168	2.2
223.03024	6.1
223.67784	2.1
227.00339	4.6
227.03876	3.2
229.02002	4.3
230.99933	4.7
240.26234	2.5
245.01471	10.6
247.03046	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	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.85267	0.9
55.05503	5.1
57.07069	1.8
59.05001	1.1
61.61079	0.9
67.05491	2.8
69.03432	0.9
69.07056	3.4
70.19431	4.5
71.01326	1.2
71.04998	36.9
73.36914	1.1
79.05477	3.8
80.95088	1.1
81.03410	2.7
81.07072	8.7
83.04981	2.7
83.08604	6.9
85.02901	2.2
91.05480	4.5
93.07050	3.2
95.08595	8.4
97.06531	9.1
99.04459	100.0
99.08083	1.7
105.07029	3.9
107.08600	32.4
109.06528	22.1
109.10146	2.7
111.11726	2.0
113.09656	3.5
113.91957	1.1
114.69152	1.0
119.08594	4.1
121.06517	1.1
121.10140	13.4
123.08076	16.5
123.11708	14.5
125.09661	6.3
131.08568	1.6
133.10129	1.5
137.09634	3.2
137.13264	2.0
139.11192	3.6
141.09163	1.2
141.12755	1.5
147.11659	5.7
149.09631	13.4
155.10620	1.4
161.09717	1.1
165.09108	2.9
165.12744	12.9
167.10692	24.5
179.14330	3.1
183.13814	33.4
189.12772	3.6
207.13818	7.9
225.09090	1.4
225.14890	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	225.1485
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03925	1.2
53.27465	0.8
54.20335	0.7
55.01875	1.7
55.05511	10.4
57.03426	1.4
57.07055	3.1
59.05006	1.1
65.03929	1.3
67.05503	13.2
69.03086	1.9
69.03431	24.6
69.07068	84.2
71.04987	8.2
71.58638	1.5
73.06172	1.0
73.06557	12.8
75.20872	0.8
79.05497	6.5
81.07058	27.5
83.04974	4.9
83.08611	4.7
84.08137	0.9
85.02908	1.4
85.06529	1.9
91.05484	8.5
93.07047	17.3
95.04968	14.0
95.08601	25.2
97.06529	41.9
99.04465	13.5
99.08076	1.3
105.03369	1.9
105.07027	15.2
105.70789	0.9
107.04962	1.1
107.08591	30.9
109.06519	21.7
109.10191	6.1
111.08079	100.0
113.05991	0.9
115.07567	27.9
116.98597	0.8
119.07786	1.2
119.08582	17.9
121.06455	1.7
121.10143	22.1
123.08075	20.7
123.11708	25.6
125.05966	1.2
125.09599	2.3
127.07571	2.5
130.06543	1.3
131.08611	1.1
133.06491	1.7
133.10123	5.4
135.08006	4.2
135.11684	3.8
137.05940	2.5
137.09634	6.1
137.13222	6.3
139.07486	2.0
141.06949	1.8
141.09161	0.9
147.08063	1.1
147.11687	24.7
149.09624	9.3
151.07536	3.6
151.11136	1.0
153.07155	0.8
153.12735	1.3
154.07750	1.1
161.09567	1.6
161.13278	6.1
163.11186	2.4
165.09071	2.7
165.12752	66.0
167.07184	1.4
167.10645	2.6
168.08044	0.9
169.08798	1.3
169.10130	2.9
171.11555	1.4
179.10689	1.2
179.14317	2.3
180.08096	0.9
182.07220	0.9
183.13800	4.6
189.12727	3.4
195.09128	0.8
197.10986	5.2
201.96120	1.0
207.10153	1.0
207.13786	11.5
225.05255	0.9
225.10495	13.8
225.14836	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.00286	1.3
53.03946	1.4
55.01865	2.4
55.05515	7.9
57.03435	3.5
57.07068	3.1
67.05511	13.4
68.99805	2.0
69.03425	4.3
69.07066	19.2
70.06594	31.0
70.11829	1.8
70.12234	3.3
70.98737	1.2
71.01350	1.3
71.04994	14.5
75.33418	1.5
76.75747	1.2
79.05499	10.0
81.03425	2.1
81.07059	25.8
83.01354	4.0
83.04974	8.1
83.08614	3.1
84.08119	3.2
85.01134	4.4
85.02916	2.3
85.06554	3.6
86.00655	3.8
86.09711	10.5
87.02723	2.2
88.20774	1.2
91.05482	8.5
93.07063	10.7
94.06583	1.4
95.04993	6.0
95.08607	23.2
96.04494	8.9
97.06509	6.8
98.21235	2.5
99.04469	13.5
99.08091	3.0
101.95059	2.6
105.03402	3.8
105.07038	15.4
107.04977	2.5
107.08591	14.9
109.06531	11.3
109.10167	20.1
111.04463	2.7
111.08089	5.2
111.09242	1.8
112.02200	23.6
113.06016	2.1
113.09618	4.5
117.07036	1.9
119.08590	13.7
119.96105	1.4
121.06491	4.6
121.10158	13.3
122.07236	1.5
123.08069	15.0
123.11664	6.7
125.05996	5.8
125.09634	4.5
128.05310	2.2
129.04810	20.8
129.05678	2.1
129.06996	1.5
130.06523	2.9
131.08598	2.3
133.06487	1.8
133.10146	13.1
135.08081	4.2
135.11679	3.9
137.05986	4.6
137.09618	41.6
137.13263	4.8
138.12756	1.6
139.11192	3.6
140.67268	1.3
141.04819	2.8
141.06976	1.9
143.08554	1.9
145.10127	2.9
147.08011	1.6
147.11699	5.1
149.09612	15.8
151.07536	8.0
151.11261	7.1
151.14838	1.5
153.09122	3.9
154.07808	1.8
155.08624	1.2
155.10675	4.1
156.08130	1.4
156.09361	1.7
161.09641	8.7
161.13277	8.8
163.11221	5.5
165.09131	55.2
165.12752	26.8
167.07301	6.9
167.10684	25.4
168.08060	3.9
169.08798	1.9
169.10176	1.5
174.10394	1.9
179.10678	30.0
179.14249	7.0
180.08075	6.7
181.12245	5.0
182.09703	6.9
183.13815	3.7
189.12778	9.7
190.03613	2.0
197.11079	100.0
207.10164	2.6
207.13794	18.6
225.10530	82.0
225.14728	25.0
225.19630	3.0
233.79144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03949	1.8
55.01863	2.4
55.05513	12.4
57.03416	1.6
57.07068	1.9
59.04998	1.1
67.05504	11.5
69.03081	1.8
69.03432	26.8
69.07068	80.9
69.92397	5.5
71.04982	2.5
73.06554	13.1
77.03936	1.0
79.05503	7.9
81.07061	29.6
83.04976	3.8
83.08604	3.6
85.06525	2.1
91.05487	5.9
93.06482	1.1
93.07045	16.6
95.04970	13.1
95.08611	22.7
97.05902	2.0
97.06533	41.4
98.20829	2.0
98.21395	1.8
99.04436	4.1
101.05986	1.5
101.52599	1.0
105.07030	13.8
107.04913	1.0
107.08596	22.7
109.06518	14.3
109.10157	5.6
111.04476	1.0
111.08082	100.0
113.05970	1.0
115.07572	28.4
119.08578	14.4
121.10143	18.5
123.08074	19.5
123.11704	21.8
124.08837	1.7
125.06055	1.1
125.09660	1.6
127.07576	2.7
132.59346	1.1
133.06499	2.3
133.10106	3.6
135.08057	4.2
135.11690	4.4
137.05945	2.3
137.09636	4.0
137.13229	6.7
147.07999	2.0
147.11697	21.9
148.42255	1.1
149.09596	7.2
151.07521	2.9
153.09120	1.2
161.13242	5.4
163.11169	2.7
165.12753	65.9
167.93480	1.1
169.10008	1.4
171.11693	1.1
179.14273	1.5
189.12715	3.8
197.07944	1.0
207.13795	9.1
225.14851	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03931	1.9
55.05510	7.1
55.80548	1.1
57.03435	1.4
57.07066	5.1
58.62806	1.1
59.04993	5.2
67.05507	21.3
69.03389	1.7
69.07047	3.5
70.40553	1.0
70.94006	3.6
71.04980	3.8
79.05491	4.6
81.07051	7.0
83.04986	7.9
83.08605	1.9
85.02918	1.2
85.06544	8.3
91.05487	7.5
93.07038	7.2
95.04959	3.9
95.08606	100.0
97.06504	4.9
97.10176	2.5
99.04454	7.4
105.03380	3.0
105.07040	14.0
107.04971	1.7
107.08595	10.8
109.06513	5.8
109.10136	3.5
111.04440	1.2
111.08094	1.7
113.06012	7.2
119.04879	2.2
119.08583	11.0
120.08094	2.0
121.08417	4.4
121.10149	7.7
123.08067	35.9
123.11694	2.1
125.06021	3.0
133.06445	2.5
133.10127	2.7
135.11710	8.0
137.09633	2.0
139.07591	2.1
140.07213	1.3
141.09084	6.8
145.10103	1.5
147.04401	1.8
147.08022	2.1
147.11685	3.9
149.09618	16.0
151.07500	4.2
151.14859	2.8
161.13295	6.8
163.11229	6.2
164.44328	1.2
165.09157	2.4
165.12741	3.5
167.10724	1.7
168.10199	1.6
169.08658	1.8
171.11661	1.3
175.03905	3.2
179.14291	3.6
181.12193	1.6
189.12756	5.0
207.06465	4.1
207.13803	11.3
225.07024	2.5
225.09093	5.5
225.11133	2.9
225.14828	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06664	0.7
55.01866	9.3
55.05506	3.2
56.28649	0.8
65.03937	4.4
67.05511	1.9
69.07066	1.0
69.35709	8.1
70.06568	2.1
71.04979	2.2
72.04510	2.0
77.03912	2.0
79.05485	2.6
81.07052	3.1
83.04977	1.2
83.08600	2.3
84.04504	6.7
89.03915	2.3
91.05481	53.4
93.07033	1.8
94.54905	0.8
94.68664	0.8
95.04961	3.4
95.08613	2.6
97.06502	1.0
99.04428	3.3
100.11253	19.6
103.05492	1.5
105.03385	2.0
105.07019	2.8
107.04973	1.7
107.08579	2.0
109.06524	2.0
109.10130	1.9
118.04158	5.8
119.04941	55.4
119.08579	1.8
121.02908	1.5
121.06494	1.2
121.10164	4.0
123.04469	1.0
123.08043	3.0
123.11702	1.0
125.98620	0.8
129.03426	0.9
129.04457	0.9
129.08348	0.8
132.02072	3.8
133.02817	1.9
133.10109	1.1
135.04417	2.7
137.09615	2.5
140.07034	0.9
141.06967	1.0
145.02858	2.1
146.03642	1.8
147.04408	45.8
147.11674	2.0
149.02345	6.6
149.09621	6.0
154.12270	10.7
157.03954	5.5
161.11699	0.8
161.13181	1.6
163.03990	1.2
163.11183	1.1
164.04678	6.6
171.14917	3.0
174.03162	1.2
175.03905	77.8
177.01801	3.2
179.01608	1.2
179.06978	5.2
179.10565	1.1
183.06470	1.3
185.64728	0.8
189.12700	1.9
191.27414	0.8
192.02419	1.4
192.04184	27.2
206.56825	0.8
207.06522	100.0
207.13835	2.7
225.07253	1.5
225.09163	3.1
225.16273	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	223.9725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65810	11.5
61.82524	10.3
69.74248	11.1
70.57810	31.8
72.06286	10.9
76.37875	10.9
94.93011	31.3
113.20856	10.8
120.45631	14.5
124.86443	10.9
144.55653	11.0
151.78362	12.1
161.88678	11.6
223.01613	11.5
223.97174	100.0
223.99008	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	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.6
62.13876	1.2
69.94151	6.6
82.99888	1.8
84.96014	1.2
91.81629	1.1
98.21078	3.6
98.97579	1.7
101.00880	22.9
105.03396	1.1
108.89265	1.1
116.98852	1.1
119.01920	79.4
120.02022	1.5
134.99794	3.1
137.02963	20.0
140.98808	1.9
142.03499	14.4
158.90834	1.2
158.99863	9.4
160.04559	5.0
161.02975	7.2
177.00960	100.0
178.01082	4.4
178.94257	1.9
179.01157	1.4
179.03995	12.5
181.47888	1.8
182.99835	2.1
184.04541	4.8
191.02629	2.1
193.04137	1.7
195.02031	1.6
200.02545	1.6
201.00859	7.9
201.02544	2.7
202.05608	2.7
207.23186	1.4
217.04111	12.3
219.02005	93.2
219.94458	3.7
220.02040	7.6
221.01743	1.2
225.00899	3.8
225.04361	1.4
237.95488	1.9
243.01991	14.8
249.38420	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.01872	7.6
55.05497	3.1
65.03926	3.4
67.05488	2.4
69.07066	1.5
69.34748	4.3
69.35153	1.8
70.06595	2.2
71.04988	2.0
72.04503	1.1
76.03164	0.8
77.03914	1.2
79.05492	2.1
80.06263	1.1
81.07044	3.5
83.04992	1.1
83.08608	2.6
84.04517	6.2
84.08099	0.8
85.02837	0.8
85.06504	0.7
86.09703	1.3
89.03909	2.7
90.04675	1.0
91.05483	55.5
93.07043	1.9
95.04961	2.6
95.08584	2.4
97.06564	1.0
98.21143	3.6
99.04430	2.5
100.10661	1.4
100.11259	14.8
102.92170	0.7
103.05470	1.2
105.03381	2.7
105.07037	1.6
107.04934	1.8
107.08584	2.4
109.06496	2.1
109.10142	1.6
111.04464	0.8
117.03413	1.1
118.04153	6.4
119.04946	60.5
119.08571	1.6
121.02843	1.9
121.06518	1.7
121.10149	3.3
123.04437	1.0
123.08096	3.7
123.11692	1.6
132.02055	4.6
133.02823	1.5
133.10135	1.2
135.04413	1.8
135.79573	0.8
136.05196	1.6
137.05937	0.9
137.09596	2.1
140.07039	1.6
141.05313	0.7
145.02817	1.3
146.03543	1.2
147.04411	48.1
147.11720	1.8
149.02353	8.3
149.09590	5.3
150.75780	0.8
151.03943	0.8
153.05498	1.1
154.12259	8.8
157.03951	4.8
161.13231	1.1
163.03999	0.8
163.11182	0.9
164.04694	5.9
165.12764	0.8
171.15047	1.8
174.03082	1.5
175.03909	76.3
177.01816	2.8
179.01654	1.4
179.07056	4.4
179.10530	1.2
181.12187	1.0
183.73087	0.8
185.12367	0.7
192.02440	1.5
192.04178	26.4
199.40395	0.8
207.06529	100.0
207.13577	1.6
225.04076	1.4
225.09149	1.8
225.15982	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	223.1329
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03954	3.5
55.01883	2.9
55.05257	0.7
55.05511	9.2
56.98293	0.6
57.03421	1.1
57.07061	1.2
59.05019	0.8
59.91167	0.5
62.50656	0.5
65.03931	1.8
67.05170	0.8
67.05508	13.8
68.58353	0.5
69.03426	1.3
69.07072	6.6
70.06575	2.0
70.28440	1.9
71.04983	1.5
73.04777	0.6
79.05497	11.4
81.02973	1.0
81.03420	13.5
81.07059	15.9
83.04984	6.2
83.08616	4.4
85.02905	3.4
85.06534	1.5
91.05486	9.2
93.07048	10.8
94.04189	4.1
95.04975	24.9
95.08614	7.8
97.02896	1.4
97.06537	3.3
97.10180	0.6
98.21281	1.1
98.98479	0.7
99.08087	0.7
103.05438	1.1
105.07034	5.7
107.04960	7.7
107.08602	4.8
109.06535	2.7
109.10165	2.9
111.04440	1.3
111.08049	1.6
113.06013	0.7
117.07024	6.4
119.08564	2.2
120.08124	1.1
121.02867	0.6
121.06493	2.9
121.10129	2.6
123.04434	0.5
123.08058	2.1
125.05984	1.6
127.07513	0.6
129.07016	0.9
131.08560	5.1
133.10138	3.1
135.08073	1.3
135.11673	1.8
141.07014	1.5
143.08562	1.0
144.09306	0.7
145.06468	1.3
145.10132	3.8
149.02333	7.9
149.09625	1.3
149.13245	1.3
153.12785	1.0
154.07727	1.0
159.11691	5.7
161.09613	0.9
163.11192	2.8
169.10147	1.2
177.00748	1.2
177.12784	4.1
187.11169	2.5
193.10103	1.1
205.12227	7.0
223.13298	100.0
224.13692	1.1
225.04337	1.9
227.02213	1.5
231.17561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03950	48.4
55.01853	10.1
55.05518	14.4
57.03424	3.1
57.07078	4.5
60.05632	3.1
65.03927	6.8
67.05504	66.7
69.03428	5.3
69.07081	15.7
69.44569	21.1
70.06591	9.6
71.01358	3.3
71.04983	6.7
72.08175	2.5
75.97551	2.1
79.05498	40.4
81.03420	100.0
81.07060	70.0
83.04990	13.5
83.08607	6.4
84.96024	2.2
85.06538	4.4
89.50897	2.2
91.05474	29.9
93.07050	50.6
95.04973	40.5
95.08605	44.9
96.05305	2.7
97.06523	8.9
98.20810	7.0
98.21501	5.1
98.98466	2.7
99.08125	2.4
103.05504	3.6
105.07040	20.8
105.32330	2.5
107.04969	26.1
107.08617	20.2
109.06506	9.9
109.10149	9.1
111.08060	5.8
117.07018	18.4
119.08591	4.6
121.02825	2.8
121.06499	17.3
121.10124	10.7
123.04456	4.4
123.08066	26.7
125.05970	3.7
129.06999	4.0
131.04889	2.8
131.08568	14.6
133.06496	4.6
133.10127	7.8
135.08032	6.6
135.11703	19.8
137.09550	3.5
139.07510	3.5
141.06990	9.9
143.08609	3.9
145.06505	17.2
145.10100	11.7
149.02350	27.1
149.13249	9.0
153.12781	2.8
154.07658	2.3
159.08054	7.1
159.11710	24.0
161.09636	4.0
163.11205	7.7
165.07138	2.3
165.08983	3.1
167.07045	2.9
167.08545	3.7
169.10101	5.3
177.00677	4.0
177.12784	10.5
180.09309	2.8
181.10139	3.1
181.12193	2.6
187.11205	16.3
205.12215	9.5
223.05939	5.2
223.11234	10.8
223.13292	34.2
223.14821	4.2
223.16891	7.6
223.20601	4.2
225.04297	15.1
227.02174	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	223.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79529	1.7
53.24938	1.8
55.05497	2.2
56.96565	9.4
57.03411	2.4
58.99857	4.2
60.05650	11.7
69.07095	2.4
70.06596	50.1
70.92859	5.3
71.04983	4.1
71.06917	2.1
72.08147	7.9
73.02917	3.4
75.66290	1.8
82.01434	8.6
84.04527	2.5
84.08133	14.2
86.09715	12.8
88.99149	1.8
91.02465	2.3
98.97584	4.9
100.02494	24.9
101.00908	6.1
104.42846	2.0
105.04515	2.1
110.07195	2.8
112.08725	4.3
113.00876	9.0
116.07047	2.4
116.98607	4.4
118.03532	9.9
119.01952	19.2
120.08118	10.5
123.95492	2.3
126.98754	2.4
129.10269	9.2
131.01910	74.6
133.03500	7.2
134.27187	1.8
136.02415	3.5
137.02989	4.4
139.07542	2.4
142.03510	9.4
144.99837	6.2
147.11267	2.0
149.02994	24.5
154.03506	62.9
156.05054	10.0
157.10910	2.0
158.09265	3.1
158.99637	2.1
159.01405	6.5
164.07014	4.8
168.01396	8.6
172.04573	19.6
174.06094	2.6
175.11935	6.6
177.00916	3.8
177.02461	41.4
178.70311	2.2
182.01413	3.7
182.02980	33.6
183.14836	2.0
184.94939	1.7
193.12965	2.7
195.03494	10.3
195.14964	2.0
199.05649	2.3
200.04054	100.0
201.02441	3.3
201.04211	3.6
214.05656	2.6
214.14267	2.5
218.05119	24.1
219.03632	2.6
222.65546	5.6
223.02644	3.6
223.05753	5.1
225.04298	4.9
241.06642	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	222.9884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64064	3.4
51.96732	4.1
56.96554	5.9
61.02946	3.5
62.98262	7.2
70.06586	5.3
71.57719	4.7
82.01442	3.7
94.93024	10.1
97.57700	3.1
97.80663	3.4
97.95006	3.9
98.97563	4.7
100.02482	8.9
116.98604	4.6
122.99052	6.4
131.01886	13.4
141.00079	17.3
144.98717	11.0
144.99866	10.5
149.02922	7.2
154.03465	18.4
159.01404	4.0
168.01445	10.4
172.04567	5.4
177.00818	4.0
177.02466	13.1
182.03021	4.4
195.03554	7.0
200.04042	24.1
204.97789	3.6
218.05087	6.0
222.94057	8.6
222.98839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.69281	1.5
51.29517	1.4
51.52654	1.4
53.00289	1.3
53.03936	2.6
55.01863	1.5
55.05513	10.9
56.96563	1.3
57.07063	6.3
59.05005	2.5
61.92966	1.3
65.03951	1.6
66.44461	1.4
67.05502	13.9
69.07066	10.9
69.91020	2.7
69.91422	7.7
71.04991	20.3
77.03890	1.3
79.05487	16.7
79.66474	1.5
81.07056	62.7
83.04971	1.3
83.08616	5.6
90.86597	1.4
91.05467	12.3
92.21392	1.4
93.07043	40.0
95.04967	4.6
95.08608	30.9
97.06544	2.7
97.10207	2.3
99.08087	4.2
105.07028	30.5
107.07859	2.5
107.08594	49.4
109.06516	5.9
109.10155	22.6
111.08070	4.1
113.09644	1.9
118.03227	2.2
119.08579	43.4
121.06541	2.9
121.10133	9.6
123.08109	3.1
123.11710	14.7
125.09615	2.2
127.11195	5.6
130.06558	5.8
131.08536	2.1
133.10136	24.1
135.11687	100.0
137.09630	4.0
137.13231	2.1
143.07373	1.8
145.10098	4.1
147.08022	1.7
147.11679	19.7
149.02309	8.8
149.13269	9.8
149.44890	1.6
151.11186	4.0
161.09618	3.5
161.13284	12.2
162.03777	6.9
163.07562	1.5
163.11235	1.8
163.14851	4.4
165.12737	2.2
175.14891	5.0
203.08566	6.1
203.10478	2.3
203.14336	1.5
203.17992	32.2
206.16273	2.7
221.09521	6.3
221.11694	3.3
221.15671	8.3
221.19023	47.1
221.22104	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	221.1537
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.03945	4.8
55.01859	2.7
55.05512	9.3
57.07055	1.0
65.03931	2.2
67.05507	14.6
69.07071	11.2
69.24648	2.0
69.25040	10.3
71.05003	4.6
73.06557	1.7
77.03883	1.5
77.41654	1.0
79.05496	63.0
81.03387	1.6
81.07061	38.8
83.04963	2.9
83.08633	5.3
85.06550	4.7
87.04499	1.0
91.05482	44.3
93.07050	100.0
94.07339	1.2
94.52353	0.8
95.04960	10.0
95.08612	18.3
97.06516	2.4
98.21301	4.1
101.06024	1.6
103.05484	1.2
105.04500	2.6
105.07038	32.2
107.04957	1.0
107.08599	73.3
109.06506	5.3
109.10143	2.5
111.08066	2.2
117.07003	4.3
119.06084	1.2
119.08587	35.9
121.06487	4.4
121.10136	16.0
123.08076	5.2
123.11712	1.0
127.07593	1.5
128.06268	1.2
129.06973	4.3
131.08568	5.8
132.34302	1.0
133.06477	1.1
133.10133	11.7
135.08049	2.4
135.11719	2.4
137.09599	1.1
139.07561	1.4
143.08589	8.8
145.10133	2.0
147.08005	2.9
147.11676	4.7
157.10118	4.7
159.11707	8.3
161.09613	4.1
161.11951	1.9
161.13271	29.1
165.09160	2.4
175.11176	7.2
175.14813	7.7
179.10716	1.4
185.13271	17.3
203.14308	12.6
206.16245	1.7
221.13550	1.3
221.15367	34.7
221.17732	1.2
221.18463	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.02386	0.6
55.01866	0.6
55.05503	1.1
56.05025	1.2
56.96569	9.2
57.07066	0.7
60.95855	0.6
61.02950	0.9
67.05502	1.2
69.03409	0.8
69.07053	1.3
69.60303	0.5
70.06593	4.2
70.77543	1.3
72.08160	3.2
74.02445	0.9
81.07065	0.8
82.02941	1.6
83.95285	0.7
84.04509	0.9
84.08142	4.0
85.02913	1.2
86.09718	1.0
90.05559	1.2
91.05464	2.0
93.07024	0.8
94.06573	4.0
95.01343	1.0
95.04972	1.0
95.08604	1.4
96.04470	0.8
97.99188	0.7
98.97594	6.8
101.05983	0.7
103.05428	0.8
105.06979	0.9
107.08637	1.0
109.10167	0.8
110.07166	3.5
111.08122	1.1
112.07605	0.8
113.03607	0.6
115.05481	0.9
116.07116	1.6
116.98632	4.5
117.03745	0.7
119.01885	1.1
119.04993	0.9
119.08647	0.8
120.08073	1.1
121.01644	1.0
121.06510	1.6
128.00232	0.7
128.98622	0.9
129.10239	2.1
130.06535	71.0
131.06825	0.6
131.17986	0.7
132.04460	40.1
133.10149	1.2
134.99667	2.6
136.06190	1.4
136.07567	7.7
137.09644	1.0
146.99646	1.5
147.09155	1.0
148.07570	2.3
149.04619	0.7
150.09195	0.8
156.07785	0.9
157.07619	37.0
158.06021	81.9
164.05136	1.1
174.99251	1.0
175.00940	0.8
175.02753	2.3
175.08681	100.0
176.07076	2.2
176.08955	1.0
179.00682	0.7
179.02342	0.8
185.07149	1.0
186.05557	2.3
193.00227	0.7
193.03772	1.3
193.09743	1.3
193.15924	1.2
203.02124	0.7
203.08163	12.8
204.06610	5.1
221.02963	13.6
221.09239	18.5
221.12454	0.9
221.15236	0.8
237.47841	0.6
239.02002	1.4
239.04001	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	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
53.45255	0.1
57.07081	0.2
68.76059	0.1
70.84907	0.2
77.24184	0.1
79.05486	0.2
84.04477	0.2
84.87280	0.1
90.05526	0.1
91.05487	0.3
93.07085	0.1
105.07051	0.2
106.06567	0.2
107.08579	0.1
116.73931	0.1
117.05776	0.1
118.06544	9.8
119.07290	0.4
119.08600	0.2
120.08108	0.2
121.10210	0.1
125.45264	0.1
130.06497	0.1
131.00061	0.1
131.07338	0.2
132.08083	3.1
132.08855	0.1
133.08884	1.3
133.09940	0.2
134.09625	0.9
134.10509	0.2
144.08093	0.4
146.09644	3.1
147.10426	0.3
160.11221	0.5
162.09140	5.7
175.00276	0.1
176.10770	4.4
176.14345	27.0
177.11490	1.4
177.14677	0.3
189.15154	0.2
190.09448	0.3
190.12254	3.3
191.13010	0.3
202.15860	0.9
204.14160	0.2
205.15955	0.8
206.78453	0.1
220.16959	100.0
221.15421	0.2
221.17308	1.5
233.33765	0.1
236.85495	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	220.1333
Annotation	Darlingine
Peak:m/z	Relative Intensity
55.01860	0.6
55.05505	1.0
56.05026	0.7
56.96543	0.5
57.03431	1.5
57.07063	1.5
58.99572	1.2
67.05494	0.7
69.03413	0.5
69.07071	0.6
70.06583	1.2
70.17922	0.9
70.18317	0.9
72.08149	1.0
74.06071	0.5
76.02214	1.0
79.05491	1.3
81.07067	5.2
84.04500	0.6
84.08137	1.3
85.01131	1.4
85.06533	0.9
86.00665	1.0
86.09735	2.0
86.99065	1.0
87.02686	1.2
87.04472	69.5
90.05585	1.0
91.05450	0.7
94.68272	0.5
97.25224	0.4
102.03766	1.4
105.00103	1.3
105.07027	0.9
107.08604	0.6
109.02956	0.4
110.07220	1.0
117.06995	0.9
118.06549	8.5
119.07327	7.9
119.08608	0.6
120.08105	1.0
121.08445	1.4
122.02753	1.9
131.01654	1.3
132.01129	1.0
132.08101	0.7
134.09660	100.0
135.10034	0.5
136.06194	21.1
137.04611	0.6
145.10081	0.5
148.04276	4.1
159.04803	1.1
160.03178	0.6
174.11324	0.6
177.12869	0.9
188.11737	0.5
192.06732	0.5
202.06003	0.5
202.08997	2.0
202.17976	0.6
204.14647	2.4
205.15880	8.6
212.73831	0.4
220.13452	66.5
220.17738	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	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01867	0.9
55.05510	1.4
55.37384	0.6
56.01387	0.9
56.96543	0.9
57.07078	6.3
59.05005	3.9
67.05506	5.4
69.07069	6.0
70.02962	6.8
71.04008	1.4
72.04516	14.5
72.08170	1.1
73.02920	2.8
74.02434	1.4
75.04454	0.7
81.07053	1.4
83.05000	1.4
85.06550	11.3
86.09712	2.0
87.04452	0.9
87.08107	2.2
87.08584	0.7
90.05559	100.0
95.04970	7.5
96.08132	2.3
98.02425	17.2
98.06062	2.7
100.03985	2.2
103.03942	0.9
103.07594	7.5
113.06009	2.7
116.03450	13.5
124.07601	18.1
131.07060	0.7
136.06131	0.8
140.10721	1.7
142.07539	0.9
142.08635	7.5
156.10164	0.9
158.11775	7.5
160.03336	1.1
160.09692	2.3
166.08644	2.3
174.11281	2.9
184.09688	20.0
197.23427	0.6
200.90433	0.6
202.10760	28.0
205.15904	3.6
218.40140	0.7
220.11813	28.8
220.17677	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	220.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
55.05511	0.8
57.07079	6.3
59.05002	4.7
61.02895	0.9
67.05502	5.7
68.81587	0.7
69.07071	5.2
70.02956	6.7
71.03864	1.6
72.04523	16.8
72.08141	1.1
73.02900	3.5
74.02431	1.4
75.04494	0.8
78.81715	0.8
81.07052	1.3
83.04970	1.5
85.06544	9.5
86.09683	1.8
87.04488	1.6
87.08083	1.8
90.05560	100.0
95.04975	7.7
96.08128	2.5
98.02417	15.1
98.06052	2.1
99.48557	0.8
100.03960	2.1
103.03969	0.7
103.07586	9.1
107.66736	0.8
112.07599	0.9
113.06001	3.2
116.02680	0.8
116.03466	14.9
124.07591	18.2
136.06189	1.1
137.07092	0.9
140.10695	1.4
142.08655	8.3
146.99692	0.8
156.10243	1.4
158.11745	6.6
160.03232	1.6
160.09677	3.5
166.08661	2.5
174.11240	2.7
184.09700	20.6
192.02927	2.3
198.85693	0.8
202.10753	31.5
205.15872	3.1
216.09547	0.8
220.11801	28.2
220.17888	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
52.89577	0.4
53.03934	0.8
54.67728	0.5
55.01861	1.4
55.05510	5.0
57.03428	1.4
57.07074	2.4
59.05004	2.3
60.07708	0.5
67.05507	7.9
69.03416	1.3
69.07069	25.9
70.18797	2.1
70.40883	0.5
71.04979	3.1
79.05496	4.6
81.03420	0.5
81.07063	11.7
83.04974	1.9
83.08617	4.4
85.06539	2.5
91.05490	6.4
93.06466	0.7
93.07048	13.7
94.15501	0.5
95.04967	3.0
95.08611	18.6
97.06506	1.8
97.10159	2.0
103.05491	0.5
105.07029	15.3
107.04945	0.7
107.08591	20.3
109.06528	4.7
109.10155	18.4
111.01141	0.4
111.08096	2.5
113.09666	0.9
117.07016	3.3
119.05992	0.6
119.08581	18.0
120.05679	0.5
121.06512	2.5
121.10148	18.8
123.08064	2.8
123.11724	5.5
125.09647	2.0
129.07008	0.9
130.07755	1.5
130.82530	0.5
131.08571	7.6
133.10132	9.0
135.08057	4.4
135.11693	13.9
137.09618	9.8
137.13283	2.1
143.08612	1.0
144.09305	1.2
145.10126	17.4
146.05994	1.0
147.08025	1.1
147.11691	5.6
149.09624	8.6
149.13257	3.4
151.11168	1.5
157.10175	0.9
158.10977	0.5
159.11707	8.3
160.12360	0.5
161.09642	1.1
161.13260	9.2
163.11197	13.0
163.14821	0.9
173.09540	0.9
173.13286	3.4
175.14850	6.4
177.12761	3.7
177.16425	2.3
186.14140	0.6
189.12743	1.1
191.14330	0.5
191.17990	6.8
201.16380	14.4
203.14314	7.5
219.17442	100.0
220.17813	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.02008	1.2
53.78267	1.1
55.05505	1.8
58.06596	1.3
60.04511	1.6
61.02906	1.2
65.19996	1.1
67.05517	2.8
69.03445	1.1
69.07096	1.3
69.77531	6.7
71.01351	1.5
72.08143	1.3
75.04466	1.9
76.31437	1.0
79.05486	3.6
81.07050	2.3
86.09702	4.6
87.04457	1.7
91.05476	13.5
93.07047	2.9
95.04984	1.2
95.08614	1.5
98.20737	1.9
103.03970	2.9
103.05472	3.1
105.07037	5.4
107.08606	3.3
109.06561	1.9
115.05471	10.3
116.06232	4.3
117.07011	3.9
119.04918	1.2
119.08595	3.4
120.08102	5.1
121.10136	3.7
128.06226	10.7
129.07011	43.9
130.04147	1.5
130.07744	2.1
131.04924	7.0
131.08572	39.7
132.05508	1.4
133.06531	1.4
133.10124	5.2
135.08043	4.1
136.06178	1.9
137.05962	5.2
141.06995	33.5
143.04866	2.1
143.08528	2.1
144.05699	5.2
145.06461	10.5
145.10117	2.3
146.06129	1.3
146.07251	5.1
147.04500	1.4
147.08105	1.5
147.11690	2.1
148.05194	1.5
155.08508	1.3
157.06493	23.4
158.07260	22.5
159.02873	3.5
159.04393	2.9
159.08051	27.5
159.11598	1.4
160.05205	6.9
161.05974	1.9
161.09639	5.8
161.13252	2.1
163.03880	1.9
163.07518	2.1
169.06497	15.9
169.07784	1.8
170.07274	7.3
171.04276	1.5
171.08080	2.4
173.05893	7.6
173.09558	2.8
173.13055	1.7
174.06769	74.6
175.07533	11.2
177.05524	1.4
185.06001	1.9
186.06686	16.9
187.07434	2.2
188.08286	4.4
189.09113	97.0
191.07021	1.8
191.10658	7.5
201.05424	4.6
201.09111	38.3
201.12733	1.7
203.14290	16.0
204.03546	1.3
219.06523	3.9
219.10159	100.0
219.13751	5.8
219.17435	55.4
236.98343	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1339
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
56.96555	1.0
60.04528	100.0
61.60226	0.5
64.44702	0.5
69.05379	0.6
70.02931	0.8
70.42398	2.2
75.04500	0.7
75.28700	0.6
86.09707	70.1
86.62158	0.5
87.05596	3.7
88.03997	0.5
98.97568	1.3
103.03980	0.9
116.49979	0.7
128.10754	2.0
132.10210	48.8
154.81548	0.6
159.03011	1.0
173.12862	25.8
201.12370	4.5
203.14316	1.3
219.13411	8.8
219.17444	4.0
237.00751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1341
Annotation	D-Lysopine
Peak:m/z	Relative Intensity
50.39273	0.6
55.01853	1.8
56.05029	1.2
57.07078	20.9
60.04516	3.0
61.02908	3.0
61.29199	0.7
65.45874	0.7
67.05494	1.3
68.18614	0.7
70.88078	1.5
71.01354	3.7
72.04530	4.9
72.08150	4.1
73.02901	2.5
74.02444	22.3
74.09719	67.9
75.04476	5.8
80.74389	0.7
81.04549	0.7
82.02943	28.4
83.01330	2.6
84.04517	1.5
86.09695	3.1
87.04459	2.2
89.02383	1.3
90.05553	5.3
90.26534	0.7
95.04919	0.9
98.02412	0.9
98.97566	1.3
99.05582	1.9
100.00242	0.8
100.03992	7.2
101.02373	2.1
102.52187	0.7
102.92047	0.8
103.03947	6.2
110.09669	1.0
112.04854	0.8
118.05024	7.3
120.08148	1.3
121.10137	1.2
124.07552	1.2
127.12324	5.7
128.03444	1.2
128.10727	1.2
128.98413	0.9
131.03389	1.3
132.10210	1.0
138.09125	1.3
146.04488	26.5
152.99495	0.8
155.11795	100.0
155.30504	0.8
156.10228	1.4
158.11697	0.8
159.02890	9.2
173.12837	4.7
184.09700	5.5
184.25345	0.8
201.12343	14.6
202.10745	64.0
203.14317	3.2
209.21185	0.9
219.10214	0.8
219.13408	13.9
219.17430	12.5
220.11873	1.5
237.00758	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01885	1.3
55.05507	2.6
57.03441	2.5
57.07079	2.3
60.04514	2.5
67.05495	3.5
69.07053	2.5
69.56998	10.5
70.14294	1.3
71.01350	2.4
72.08157	3.8
72.51215	1.4
79.05492	4.0
81.07041	5.2
84.08170	1.9
85.02894	1.8
86.09697	2.0
91.05486	16.6
93.07019	4.5
95.08604	3.4
98.21167	5.1
103.03960	3.1
103.05436	4.0
105.07034	8.5
107.04978	2.6
107.08575	4.4
109.06480	2.2
115.05455	11.9
116.06188	2.7
117.07002	6.9
119.04900	1.7
119.08572	7.5
120.08059	3.8
121.06486	1.7
121.10146	8.1
123.34094	1.6
128.06197	9.9
129.07014	42.6
130.06567	2.2
130.07730	3.2
131.04944	8.2
131.08580	40.5
133.06503	1.7
133.10135	9.7
135.08011	2.0
135.11650	2.1
137.05981	3.1
137.84128	1.5
141.06990	34.2
143.04916	2.4
143.08582	3.5
144.05707	5.3
145.06467	10.4
145.10152	7.3
146.06024	3.1
146.07230	4.7
147.04420	1.8
157.06509	21.4
158.07272	19.3
159.02914	3.3
159.04356	2.3
159.08067	30.7
159.11693	7.9
160.05190	5.3
161.09561	4.1
161.13268	5.1
163.03903	1.9
163.07521	4.0
169.06468	17.9
169.07719	1.3
170.07266	7.0
171.07994	2.5
172.05011	1.5
173.06001	8.4
173.09576	3.3
173.13133	3.8
174.06778	80.3
175.07500	9.6
175.11066	2.4
186.06752	19.2
187.07603	3.1
188.08420	1.9
189.09120	89.2
191.10611	7.5
201.05482	4.2
201.09109	40.0
201.12830	2.9
203.14330	33.6
205.74844	1.5
219.06685	3.2
219.08421	1.9
219.10156	96.6
219.13654	11.1
219.17441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.5
56.05033	2.1
56.96565	14.9
57.03442	2.6
59.04990	1.2
59.31453	1.2
60.04517	4.1
61.02921	7.3
68.99807	2.2
69.03416	2.5
69.07054	2.3
70.98119	5.4
71.01360	36.5
71.57887	2.0
72.08154	4.4
73.02907	4.8
74.06076	11.8
75.04472	11.5
77.00897	2.3
80.31380	1.3
82.99854	3.0
84.08121	2.3
85.02904	2.6
85.08453	2.0
86.09700	6.0
87.04440	1.7
88.99152	1.7
97.02921	1.5
98.97582	37.2
99.00793	1.6
100.02473	4.5
101.00888	23.9
101.02370	3.3
103.00609	3.1
103.03949	14.4
105.02191	1.7
105.07020	1.6
110.97581	2.7
111.00826	3.8
113.00871	3.5
116.98624	20.1
117.01854	8.2
118.01041	1.6
119.01925	95.4
120.01961	2.0
121.01672	11.0
125.04306	1.4
127.00303	5.2
127.01533	1.5
128.98619	2.9
129.01814	3.2
131.00244	1.8
131.01920	30.7
131.03400	29.2
132.10202	2.1
133.03491	4.3
133.10184	1.5
134.99666	5.8
135.03174	3.1
137.02960	20.2
138.00801	1.8
139.02716	2.3
140.03163	2.3
144.43628	1.7
145.01376	3.3
145.03464	3.4
145.04984	2.6
146.99709	2.3
147.01262	1.9
147.03204	3.7
149.01135	1.9
149.02892	8.4
151.01511	1.9
154.94225	1.6
155.00600	1.2
155.01840	2.6
157.04916	6.5
157.06932	2.6
158.99654	4.5
159.01474	2.4
159.02895	33.7
165.00688	1.7
172.95245	2.3
173.02974	15.9
173.06500	3.6
173.36760	1.3
173.57343	1.3
174.99155	1.3
175.00853	1.7
177.00711	14.7
177.02419	4.4
177.04105	1.6
183.01389	1.7
189.00648	1.8
189.03247	2.1
191.02187	3.4
191.04021	10.6
191.07658	2.4
193.00185	2.5
195.01767	5.0
195.05331	2.9
196.04623	2.6
196.08125	2.4
201.02452	80.4
202.02499	2.1
203.14365	4.6
214.09312	1.6
219.01941	4.7
219.03523	100.0
219.05122	3.9
219.13748	2.6
219.17413	15.1
220.03583	1.8
237.00711	1.9
237.02837	2.4
238.28557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28884	34.9
66.26095	32.1
68.31817	26.7
70.77962	77.2
79.37721	32.1
90.68204	31.8
96.74693	32.0
109.58424	31.8
114.18581	35.3
134.01993	27.8
197.96793	32.4
219.02702	100.0
222.95219	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	219.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
55.05493	2.3
56.05020	4.0
56.96567	65.1
57.03435	1.9
58.06595	1.9
58.99855	1.9
60.04521	13.5
60.95834	2.8
61.02912	5.0
67.05487	1.7
69.03424	2.9
69.07072	5.6
70.06573	4.1
70.98120	6.0
71.01354	7.0
71.04987	1.4
71.57165	1.0
71.95245	2.8
72.08160	7.1
73.02892	4.2
74.06081	18.7
74.97608	1.5
75.04463	5.2
77.00887	4.4
81.03391	1.5
81.07037	1.5
82.06568	4.7
83.04961	1.3
84.04501	1.7
84.08149	10.5
84.96036	2.8
85.02894	4.2
85.08457	4.1
86.06041	2.0
86.09204	2.0
86.09705	29.2
87.04459	1.7
87.08115	1.3
88.04782	1.6
88.99140	1.9
89.02441	1.3
91.05470	1.6
95.01959	1.2
95.04930	1.2
97.02877	1.7
98.97584	100.0
100.02470	9.2
100.99129	3.2
101.00877	9.2
101.02416	2.0
102.96833	1.3
103.00626	3.9
103.02439	1.7
103.03932	4.7
105.02161	1.8
105.07030	1.9
107.08641	1.6
109.99148	4.3
110.07183	1.4
110.97579	4.0
112.99136	1.5
113.00883	1.8
115.00698	5.9
115.02410	2.1
116.98621	65.9
117.01831	1.6
118.01057	2.0
118.03506	4.5
118.08630	3.5
119.01923	37.2
119.08591	3.2
120.02020	3.3
120.08121	1.4
121.01659	15.3
121.10165	1.5
125.48627	1.1
127.01503	1.4
127.03923	1.4
128.00224	9.7
128.98619	8.6
129.02187	2.8
129.10213	1.9
131.00146	4.3
131.01910	11.0
131.03392	4.7
132.10184	5.2
133.01712	9.4
133.03429	5.8
133.10155	2.7
134.99661	30.5
135.03262	1.6
136.06197	2.6
137.02965	12.1
139.02684	4.5
139.12350	1.2
140.00185	2.5
140.98567	1.5
143.01881	2.1
144.99832	2.1
145.01559	2.1
145.03471	2.2
146.01231	4.5
146.99664	5.8
147.03210	15.3
147.04947	1.9
149.01186	4.8
151.02716	3.6
153.00723	3.1
154.94141	1.4
155.01886	1.5
157.10486	1.7
158.99643	9.9
159.03017	8.2
161.02934	4.1
162.99246	1.4
163.02658	1.8
163.04477	1.5
165.00703	4.2
165.04231	5.7
172.95253	2.8
172.99376	2.3
173.01180	3.9
173.02948	9.0
173.06583	3.2
173.12823	7.1
174.00859	1.4
175.02756	2.1
175.04520	1.2
175.11528	1.8
177.00748	34.3
177.02383	3.0
177.04285	17.6
181.00105	1.2
184.02832	2.7
189.00763	3.2
191.00391	2.8
191.02190	4.2
191.03976	4.7
191.07625	3.9
193.00247	1.6
193.01831	1.4
193.03664	1.6
195.01811	17.4
195.03625	2.7
195.05382	22.6
196.00874	3.9
196.04614	6.2
196.08243	5.6
201.00684	1.3
201.02432	25.6
201.12529	2.3
202.03842	1.6
203.14294	10.1
205.02081	1.6
209.01274	2.9
209.03163	2.0
213.06396	2.8
214.02077	1.8
214.09247	4.1
219.01814	5.6
219.03459	26.6
219.05414	12.4
219.07117	4.5
219.13750	3.9
219.17439	34.0
237.00822	9.5
237.02820	3.5
237.06378	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	217.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19210	2.7
59.45217	2.6
62.98262	18.1
70.69634	10.2
71.52066	2.9
78.95202	6.3
78.95638	100.0
98.21029	5.9
101.00867	18.5
103.02446	9.7
103.61451	3.1
108.98749	3.0
119.01921	63.9
120.02013	4.8
121.03495	5.4
131.01897	7.4
131.53891	3.2
134.32668	4.2
137.02962	13.9
145.03465	52.2
147.01350	4.1
163.04535	25.5
173.02907	4.9
174.93803	53.9
189.02457	18.8
191.03970	4.0
207.03496	8.3
216.94865	15.8
235.03139	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	217.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19210	2.7
59.45217	2.6
62.98262	18.1
70.69634	10.2
71.52066	2.9
78.95202	6.3
78.95638	100.0
98.21029	5.9
101.00867	18.5
103.02446	9.7
103.61451	3.1
108.98749	3.0
119.01921	63.9
120.02013	4.8
121.03495	5.4
131.01897	7.4
131.53891	3.2
134.32668	4.2
137.02962	13.9
145.03465	52.2
147.01350	4.1
163.04535	25.5
173.02907	4.9
174.93803	53.9
189.02457	18.8
191.03970	4.0
207.03496	8.3
216.94865	15.8
235.03139	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	217.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14169	0.6
53.03956	0.5
55.01877	0.5
55.05259	0.8
55.05511	10.8
56.05032	0.6
56.96569	50.4
58.99843	0.7
59.04993	0.7
60.04517	1.4
67.05497	1.0
69.03407	0.8
69.94054	1.7
70.06588	3.0
70.98117	1.5
71.95255	0.5
72.08157	30.7
73.02925	0.8
74.06084	0.6
77.00900	0.8
82.99844	0.8
83.04982	9.7
84.04494	0.6
84.08147	6.8
84.75608	0.6
85.01414	0.8
85.06526	1.1
86.09713	1.5
87.04459	0.9
88.03979	0.8
89.02370	0.8
89.06035	2.0
98.20795	0.5
98.97002	0.9
98.97592	10.3
101.00881	10.7
101.06022	3.9
103.02448	4.5
110.96812	1.0
110.97574	18.5
111.04449	14.8
113.00894	1.1
113.06018	1.2
115.02381	0.7
116.98627	6.0
117.05399	0.6
118.08662	1.0
119.01925	32.9
121.01671	0.6
121.03501	2.9
127.02412	1.6
127.07570	1.5
128.98610	25.5
129.05467	3.6
129.10237	2.0
130.08620	0.8
131.00304	0.4
131.01903	4.4
133.01732	0.5
133.03467	4.2
134.03659	0.5
134.99672	3.5
135.05005	0.7
137.02956	9.0
142.03497	0.9
145.03470	25.3
146.99660	15.5
147.01427	1.9
149.02966	2.0
151.04526	0.8
155.07036	18.2
156.98099	10.2
157.03458	0.5
158.99654	1.3
160.97578	0.6
161.02934	0.8
163.04535	11.9
165.00720	2.2
168.05090	0.6
171.01404	3.2
171.02715	0.6
171.04976	0.7
172.97749	0.6
173.02951	1.9
173.08101	11.2
173.09497	1.0
174.99158	80.0
175.04507	1.8
175.99461	1.5
177.00768	2.3
189.00821	0.8
189.02393	7.7
189.03816	0.8
191.04053	2.6
193.00215	100.0
194.00623	2.0
198.00749	2.0
199.00938	0.9
199.09669	1.5
205.02010	0.5
207.01767	1.8
207.03532	3.6
211.01294	5.4
211.98473	0.5
216.01831	1.2
217.02028	2.6
217.05554	2.0
217.10712	10.0
217.12456	0.5
217.15363	1.0
218.17323	0.5
231.31293	0.5
235.01187	1.7
235.03110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73027	1.9
53.03932	3.3
55.01860	6.4
55.05512	94.6
57.03433	4.0
57.06826	2.3
57.07078	33.5
59.04987	3.9
67.05499	23.6
67.10016	2.0
69.03415	4.0
69.07070	81.2
69.63877	12.9
70.06586	11.4
71.04997	15.0
71.08627	15.6
72.04493	3.3
72.08149	5.7
73.06554	3.1
79.05493	19.9
81.07054	58.0
83.04986	25.0
83.08621	98.2
84.08119	3.7
85.06557	12.2
85.10181	6.1
86.06068	8.2
87.04451	2.6
89.06030	4.0
91.05443	5.1
93.07054	32.1
94.05151	2.1
95.08607	47.8
97.06537	29.6
97.10172	59.9
99.08070	3.3
100.07607	12.3
101.06007	8.3
105.07012	3.5
107.08595	49.1
109.10171	14.3
111.04448	24.0
111.08081	28.9
111.11713	3.8
114.09156	7.6
115.07582	5.0
121.10143	34.2
123.11732	12.6
125.09633	20.4
126.09166	19.5
127.07576	3.6
128.10710	5.4
129.05460	7.7
129.09097	4.9
132.08031	2.2
135.11679	8.7
139.01808	3.6
139.11171	9.0
139.14819	4.0
154.08633	2.3
155.07045	30.5
155.08215	4.2
156.17526	2.8
160.08435	2.8
160.11990	2.5
162.02609	3.3
163.14828	100.0
168.64758	2.2
173.08084	18.1
174.02693	8.5
174.10013	2.8
181.15877	44.1
188.11581	5.6
198.11307	29.3
198.18532	27.8
199.17038	2.7
216.07387	5.6
216.12436	44.2
216.19574	8.5
217.10710	11.7
217.12537	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	216.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.3
70.01453	2.3
71.16860	2.5
82.99393	1.0
82.99844	3.8
83.84315	1.0
84.02977	1.8
88.02471	2.8
98.97584	1.7
101.00883	35.7
102.04049	4.1
102.26344	0.9
112.02435	4.9
113.00848	3.2
116.98615	1.5
118.03491	1.5
119.01925	100.0
120.05061	1.5
126.04019	8.2
130.03517	26.2
131.01918	30.6
132.01363	1.0
137.02959	21.6
142.03490	1.2
144.05066	69.0
145.03471	5.9
148.04568	5.6
149.02957	11.4
154.03516	3.8
156.01431	10.6
162.06131	13.7
163.04564	3.4
170.02992	26.5
171.01425	1.4
172.04575	7.2
173.02925	4.3
174.02495	25.3
180.01414	1.2
180.50938	1.3
188.02347	1.8
188.04044	32.4
189.02412	1.9
190.05617	2.3
191.04018	6.7
192.03580	5.7
198.02597	1.1
199.00838	6.9
206.05054	4.8
207.03519	1.3
210.52562	1.1
211.02570	1.6
211.50040	2.3
216.03555	37.5
217.01927	12.0
221.61644	1.0
234.04646	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	215.143
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.03942	0.9
55.05494	2.3
57.03410	0.9
57.07039	0.9
59.04998	0.9
62.56896	0.6
67.05481	1.9
69.03421	1.5
69.07051	0.9
70.06580	1.1
70.18060	2.4
71.04996	4.1
72.93777	2.5
74.09705	2.4
79.05484	2.3
81.07028	3.7
83.08602	2.0
85.06549	0.9
90.94834	1.3
91.05499	5.1
93.07040	4.0
95.04962	2.7
95.08575	2.6
98.21178	1.9
98.98479	1.2
105.07031	7.4
107.08611	2.4
109.06499	2.4
115.05449	0.8
117.07018	3.8
119.08570	6.6
121.06513	2.0
121.10177	0.7
123.08067	1.3
128.06252	2.6
129.07007	7.1
130.06529	5.6
130.07756	2.5
131.08559	16.4
131.84212	0.8
132.95848	4.7
133.06764	1.0
133.10124	2.8
135.08041	2.0
139.01691	1.6
141.06973	4.3
142.07761	11.1
143.08551	11.9
144.09290	1.3
145.06467	2.3
145.09033	1.4
145.10126	19.5
150.96912	11.1
153.06937	1.4
154.07811	1.1
155.08595	5.6
156.08073	12.6
156.09348	10.5
157.10129	39.4
158.07310	1.3
158.10924	10.3
159.08083	6.5
159.11682	4.4
160.08878	1.0
167.08582	7.4
167.57304	0.7
167.97121	0.8
169.10100	8.0
171.08015	0.9
171.11694	7.6
172.08781	2.0
172.12456	8.4
173.09558	9.5
173.10803	2.7
173.13260	29.3
182.10918	20.5
185.09619	5.3
186.10350	2.9
187.11249	3.5
187.14810	8.9
191.97141	3.3
197.11446	1.4
197.13263	26.0
199.11241	0.8
200.11949	7.8
209.98187	1.3
215.03375	0.9
215.07066	2.2
215.14314	100.0
216.12256	1.8
216.14610	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70425	1.3
50.74155	1.1
51.01099	1.4
53.03947	2.9
55.01868	2.4
55.05512	48.0
56.05031	1.5
56.96291	1.7
56.96564	18.9
57.03419	4.0
57.07062	1.9
58.09030	1.5
67.05173	1.8
67.05506	27.8
69.03407	2.5
69.07069	45.6
70.06580	4.5
70.30699	1.6
71.04995	6.6
71.57096	2.6
72.08135	1.3
72.93785	4.0
73.06542	2.9
76.45058	1.4
79.05126	1.3
79.05502	13.5
81.07057	79.3
83.04975	4.9
83.08620	39.3
84.08173	3.1
85.06540	5.8
87.04479	1.7
90.63387	1.4
90.94814	4.5
91.05492	16.2
93.07046	20.7
94.06529	1.5
95.04963	3.2
95.08606	100.0
97.06531	12.9
97.10158	13.9
98.06042	2.1
99.08097	3.8
101.06017	3.5
105.06380	2.2
105.07031	18.0
107.08585	4.6
108.77405	1.4
109.06523	3.6
109.10148	9.8
110.07121	1.4
111.08080	4.3
113.05961	1.3
115.07569	3.5
116.06229	1.5
117.07030	3.0
119.08585	22.9
120.23822	1.4
121.10097	8.2
123.08067	7.2
127.07558	2.5
127.11176	1.8
127.54939	1.3
128.26259	1.4
128.98572	1.8
129.07106	1.3
130.06538	3.2
131.04900	2.0
131.08588	2.3
131.97362	1.3
132.95824	4.5
133.02826	1.7
133.10136	16.3
135.11711	12.4
137.09589	4.1
137.13243	16.9
141.00043	1.5
141.06958	7.5
141.09087	3.2
144.05750	1.6
144.98131	1.7
146.99681	3.7
149.96089	3.9
150.82785	1.4
150.96901	9.1
154.08640	1.9
158.02814	1.8
159.04399	4.9
159.08018	1.7
161.02353	4.0
161.13257	43.7
162.99086	2.5
165.00729	3.2
167.97197	3.7
168.04753	2.0
169.06487	5.5
172.97600	1.8
173.02354	7.3
179.14310	9.8
183.01791	1.9
185.05893	1.7
187.07539	4.3
190.98662	5.5
191.97081	2.1
196.16954	13.5
197.06026	4.6
200.04639	2.2
208.99722	4.8
214.05130	1.9
214.08974	2.0
214.12479	2.0
214.15988	3.4
214.18024	65.3
215.06990	19.4
215.46889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69635	0.4
56.96558	2.4
58.06599	1.5
69.07069	16.1
70.06590	1.0
70.29404	1.3
70.98077	0.5
74.39824	0.4
82.99830	2.1
84.08148	1.3
86.09706	52.5
97.06530	9.6
98.21278	0.8
98.97585	1.8
100.02484	1.8
100.05493	0.5
101.00877	25.2
109.10941	0.5
116.98623	0.5
118.02668	0.6
118.03525	11.3
119.01920	100.0
120.02009	1.2
130.03481	0.6
133.03458	1.2
136.04536	1.7
137.02954	29.1
142.03513	0.8
144.05016	0.7
144.08719	1.9
145.03413	0.7
151.04587	0.6
155.05516	0.8
158.06612	0.6
162.09756	2.0
168.08696	2.4
172.08128	0.6
173.06578	1.0
186.09763	27.7
190.03735	0.5
190.98534	0.5
196.08240	1.0
197.06593	2.9
204.10817	10.2
214.09232	18.4
215.07660	4.5
227.12056	0.4
232.10301	36.5
233.08670	2.8
233.10722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92775	0.7
55.05506	4.9
57.07074	4.5
67.05492	2.4
69.07079	7.7
71.04958	0.7
71.58070	1.2
74.77029	0.6
79.05493	5.8
81.07059	2.1
83.08617	3.3
88.07639	6.4
91.05489	6.5
93.07058	6.5
95.04972	1.2
95.08609	2.0
97.06541	0.9
103.05455	1.9
105.07033	52.2
107.08591	7.6
113.27197	0.8
115.05421	1.3
117.07003	3.2
119.08582	37.2
121.10130	7.9
128.06224	7.9
129.07016	7.2
131.08583	3.1
133.10136	4.9
141.06989	4.5
142.07782	15.2
143.08569	43.8
145.10126	4.2
148.97363	1.3
155.06021	1.0
155.08504	3.7
156.09366	13.2
157.10135	48.6
158.10902	1.1
159.11670	1.4
160.06784	0.8
165.06998	1.6
169.10190	3.4
170.10936	5.4
171.08156	1.6
171.11697	39.2
172.12373	1.0
177.09108	0.7
183.08011	1.3
183.11719	7.2
184.12518	3.2
185.13303	8.1
187.96915	0.8
195.06581	4.8
195.08139	1.1
195.11656	2.2
198.10382	2.4
198.14076	5.2
202.62535	0.8
213.09407	1.7
213.12778	9.9
213.16396	100.0
214.16643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03938	4.8
55.05522	20.4
56.05043	5.3
56.96568	9.6
57.03424	13.7
57.07070	7.6
65.03942	4.0
67.05511	81.4
69.07078	31.7
70.06595	9.2
71.04999	7.0
71.58488	3.4
79.05495	53.6
81.03424	4.6
81.07061	100.0
83.04984	8.9
83.08649	20.1
85.02947	3.8
85.06554	6.0
88.07643	25.4
91.05482	28.7
93.07049	71.9
95.04951	9.9
95.08620	28.8
97.06558	18.7
98.06043	4.3
99.08093	5.8
100.07627	3.2
105.07040	30.9
107.08591	35.6
109.06538	3.7
109.10171	5.9
111.08112	5.8
115.08755	3.2
117.07011	20.4
119.08597	20.6
121.10144	23.0
123.11727	4.4
126.05495	4.8
128.06203	7.5
129.06989	15.0
131.08566	15.1
133.10146	17.9
135.11714	12.4
137.05983	27.6
139.00342	3.4
141.87718	3.9
142.07784	12.3
143.08582	24.5
145.10112	24.0
148.97311	4.9
149.13258	35.7
156.09373	8.3
157.10138	39.3
159.11681	23.8
169.10011	6.2
170.10861	6.5
171.07744	7.2
171.11708	41.8
177.10475	3.3
177.12767	4.8
180.09172	3.9
181.58577	7.5
185.13255	7.6
190.59082	3.2
195.06535	14.4
195.13786	15.6
195.15561	5.0
200.58586	3.4
205.03732	3.6
213.05450	4.2
213.09106	7.4
213.12683	15.8
213.16406	66.8
213.18434	3.2
226.11188	7.1
226.99040	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	213.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02024	6.8
55.01870	6.6
55.05500	33.0
55.31290	5.7
55.60241	6.0
56.05042	7.7
56.96571	36.3
57.03420	9.9
57.07059	11.7
67.05177	6.8
67.05505	84.8
69.07063	33.2
70.06583	22.2
70.06942	6.6
71.04973	18.6
71.08584	8.2
71.16305	15.8
73.72326	6.0
78.77366	7.4
79.05484	41.6
81.03394	6.8
81.07056	100.0
83.04961	16.6
83.08611	26.8
85.06546	10.9
88.07621	47.8
91.05470	27.0
93.07050	95.9
95.08612	55.4
97.06538	34.9
97.10085	11.0
98.06089	8.8
99.08045	7.9
100.11221	8.2
103.05521	8.5
105.07018	20.1
107.08604	40.0
109.02829	6.7
110.07156	11.5
111.08070	18.3
116.05222	7.3
117.07014	28.0
119.08595	14.1
121.10138	17.9
125.09602	9.2
126.05518	11.2
127.03922	12.6
128.06172	13.1
128.98645	9.6
129.07001	17.0
131.08553	22.0
133.10124	19.4
135.04431	6.8
135.11685	31.7
138.61305	6.2
141.11497	16.5
142.07750	25.5
143.08490	19.8
145.50691	6.3
147.07715	7.0
148.97321	20.4
149.09619	7.5
149.13248	25.8
155.07198	6.6
155.08545	8.3
156.09367	8.1
157.06511	12.2
157.10135	39.3
159.11687	38.7
167.08598	13.9
169.10133	8.2
171.11668	23.6
177.09106	8.9
177.12778	24.1
181.06541	11.7
185.05942	12.3
185.09575	17.4
190.98572	9.2
195.06512	32.8
195.08162	11.2
195.11795	9.6
195.13791	37.1
198.06738	25.1
208.99835	8.3
209.39555	6.2
213.05492	40.1
213.07181	12.5
213.09065	77.5
213.12845	47.5
213.16422	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03931	2.0
55.01620	1.2
55.01867	15.3
55.05508	70.9
56.96554	3.6
57.03423	2.2
57.07064	1.1
59.04981	2.6
60.46509	0.7
61.65437	0.8
67.05503	24.5
69.03423	6.5
69.06719	1.2
69.07064	17.0
69.81810	4.0
70.06577	1.3
70.57941	0.8
71.04989	65.2
79.05489	22.7
81.03384	1.1
81.07055	32.4
81.63485	0.7
83.04976	6.7
83.08614	43.1
85.02895	1.0
85.06536	7.4
87.04467	10.3
90.34636	0.8
91.05477	6.4
93.07040	17.4
95.04945	1.2
95.08607	10.3
95.21573	0.7
97.06528	97.8
97.10165	64.0
98.20829	1.6
99.08048	1.0
101.05966	0.9
101.09636	2.2
105.07032	4.4
107.08589	21.3
109.06509	1.9
109.10144	14.5
111.08073	2.8
113.06078	0.8
115.05338	0.8
117.07005	4.4
121.06508	1.7
121.10123	1.9
125.09625	39.9
128.06206	1.2
129.06992	2.3
130.06516	7.0
131.08571	6.2
131.30969	0.9
133.10124	4.2
134.02444	0.7
135.08035	6.8
135.11659	6.0
142.07733	1.1
143.08504	1.0
143.10645	1.6
147.11664	1.7
149.13260	4.4
153.09071	1.5
154.07748	1.0
157.10088	2.3
157.14369	0.8
159.11681	6.8
167.08580	1.2
167.14296	1.0
177.12759	8.7
185.09558	1.5
189.11203	8.3
195.06427	1.0
195.08040	2.5
195.13805	44.0
213.05455	2.2
213.09206	3.8
213.12955	3.5
213.14827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.91137	2.7
53.03934	3.8
55.05508	20.7
56.96548	2.9
57.03426	8.3
57.07075	3.6
65.03941	3.2
67.05506	73.7
69.06759	2.6
69.07072	22.8
70.06612	4.1
70.48819	5.8
71.04977	6.7
79.05493	40.6
81.03410	4.2
81.07057	100.0
83.04969	8.5
83.08615	18.8
85.06521	4.0
88.07623	4.1
91.05486	24.2
93.07047	56.1
95.04967	5.9
95.08616	24.4
95.09174	4.1
97.06531	10.2
98.21040	6.0
99.08080	4.4
105.07003	9.0
106.07350	2.4
107.08598	34.1
109.10163	4.6
111.08054	8.3
115.05427	2.9
117.06995	17.0
119.08569	5.5
121.10145	15.1
123.11710	4.6
125.09604	3.3
129.07010	6.1
131.08601	12.7
133.10155	14.9
135.08034	3.7
135.11699	14.1
141.87112	2.2
142.07771	4.1
143.08582	5.4
145.10138	14.6
149.13254	34.4
157.10132	12.3
159.11679	17.1
171.11632	7.9
177.12770	5.4
185.09682	4.3
195.06497	6.9
195.13760	6.9
213.05464	5.7
213.09146	8.9
213.12843	6.7
213.16330	18.2
229.06441	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.13264	1.6
53.03934	4.9
55.01860	4.2
55.05508	23.0
56.96560	5.7
57.03446	11.8
57.07063	6.7
65.03925	2.2
67.05507	71.3
69.03419	1.9
69.06731	1.8
69.07076	29.6
70.06593	2.9
70.86430	3.2
70.86835	3.3
71.04979	6.3
71.08625	2.0
79.05054	3.4
79.05495	42.6
81.03425	3.4
81.07059	100.0
83.05014	10.4
83.08630	22.6
84.08121	2.1
85.06536	6.5
85.58464	1.8
88.07620	9.6
91.05476	25.9
93.07048	66.5
95.04973	8.0
95.08614	23.8
97.02889	1.8
97.06544	15.8
97.10169	3.3
99.08074	4.5
103.05391	1.9
105.07034	35.6
107.04941	2.2
107.07962	2.5
107.08604	32.0
108.81352	1.7
109.06548	2.5
109.10152	5.5
111.08086	8.8
113.05976	2.1
117.07025	14.4
119.08584	26.4
121.06518	3.5
121.10150	25.5
123.11700	5.8
125.09633	1.7
128.06192	7.5
129.07022	12.5
131.08589	15.6
133.10136	21.7
135.08022	3.9
135.11676	15.4
141.06975	5.1
142.07788	22.2
143.08575	18.6
145.06464	2.0
145.10098	11.9
148.97432	2.0
149.13266	35.7
154.07715	4.9
155.08496	2.7
156.09328	5.3
157.06458	2.4
157.10123	30.8
159.11705	19.0
167.08565	2.7
169.10144	4.2
170.10863	3.7
171.07851	2.3
171.11694	21.6
177.12758	7.5
180.09425	2.7
185.09601	9.9
185.13248	4.4
194.44321	1.7
195.06587	10.0
195.11526	1.7
195.13799	7.7
198.06775	2.8
213.05525	5.8
213.09120	43.4
213.12730	10.9
213.16371	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05362	1.7
53.03935	7.1
53.52235	1.7
55.01855	7.7
55.05262	3.2
55.05511	41.7
56.96567	2.3
57.03435	23.4
57.07069	3.5
58.61303	1.6
59.04982	4.1
65.03927	3.7
67.05169	2.9
67.05503	40.1
68.24712	2.0
69.03432	15.1
69.07067	23.2
69.51292	11.1
69.51706	4.3
71.04990	43.5
78.50288	1.7
79.05051	3.6
79.05487	47.9
81.03415	98.4
81.07056	60.1
83.04980	56.3
83.08613	42.1
84.08142	2.5
85.02894	2.4
85.06538	6.2
87.08086	2.9
91.05476	43.5
93.07040	30.0
95.04975	40.8
95.08602	39.3
96.04509	2.0
97.02903	5.1
97.06536	9.2
97.10129	8.6
99.04430	2.9
99.08082	5.9
103.05470	2.4
105.07029	61.6
107.04955	6.3
107.08591	100.0
109.02937	1.8
109.06520	14.1
109.10151	24.8
111.04408	2.1
111.08073	15.2
113.05988	2.6
115.05449	2.5
117.06996	5.0
119.07777	3.3
119.08579	41.9
121.06531	2.3
121.10142	18.8
123.08074	11.4
123.11704	9.6
125.09630	19.8
127.07539	3.6
129.07004	13.1
131.08554	14.3
133.06485	4.0
133.10135	26.4
135.08008	2.4
135.11687	33.1
137.09622	8.9
139.11157	8.3
141.12750	2.5
142.07832	2.8
145.10136	3.5
147.08063	2.9
147.11697	17.4
149.09593	12.1
149.13261	3.3
150.02156	2.1
151.02426	3.4
151.11142	5.5
153.12781	5.0
155.08466	4.5
157.10123	15.6
165.06969	2.3
165.09038	2.1
165.12791	5.2
167.08487	1.9
167.10674	6.9
168.09334	5.3
169.10091	4.7
175.11174	20.8
175.14818	30.6
181.06633	2.2
183.08032	2.5
183.11729	6.6
193.12215	39.3
193.15886	17.1
196.08849	6.7
205.98837	3.4
211.07584	6.3
211.09483	3.1
211.11166	19.9
211.13254	12.8
211.14850	8.1
211.16911	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	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03936	1.4
55.01851	0.6
55.05510	15.3
56.05840	1.2
57.03429	1.5
57.07077	4.5
59.04984	2.7
65.03949	0.9
67.05505	29.1
69.03426	9.4
69.07066	16.8
70.89686	1.2
70.90018	0.7
71.04987	4.3
71.08622	1.3
73.06526	0.8
77.52286	0.6
79.05494	5.6
81.03419	1.6
81.07055	28.2
83.04981	13.0
83.08624	11.4
85.06533	4.4
91.05473	5.1
93.07043	12.3
95.04961	3.5
95.08607	40.6
97.06511	1.4
97.10145	1.9
98.21123	0.9
99.07540	0.7
99.08092	3.4
100.11253	0.8
101.11604	0.8
105.07025	8.2
107.07865	1.1
107.08594	26.5
109.06525	11.3
109.10154	100.0
110.10474	1.2
111.04430	1.0
111.08062	4.2
113.09621	1.6
117.06997	1.0
119.08584	24.7
121.06479	0.8
121.10141	13.7
123.08072	15.6
123.11707	9.2
125.09622	1.4
127.11167	1.2
133.10135	20.8
135.11694	66.3
137.09618	15.2
139.11189	2.8
147.11679	1.7
149.13245	5.6
151.11191	9.9
151.14821	10.9
153.12749	3.2
165.12703	0.9
165.16420	2.2
175.14827	19.7
183.15756	5.3
193.15884	15.0
211.07549	0.9
211.15126	1.5
211.16959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
52.67094	0.8
53.03951	2.4
55.01868	2.5
55.05260	1.2
55.05513	16.9
56.96556	3.3
57.03436	9.3
57.07070	3.6
59.04997	2.7
59.17745	0.7
60.06136	0.7
61.02887	0.8
65.03936	1.4
67.05504	36.0
69.03429	11.6
69.07072	17.2
70.06572	1.1
71.04994	6.5
71.08642	0.9
71.58279	0.7
71.58659	0.8
71.59012	1.1
73.23232	0.7
79.05489	11.4
81.03413	14.0
81.06573	1.8
81.07058	37.6
83.04983	19.2
83.05456	1.7
83.08615	14.3
84.08138	1.0
85.02927	1.4
85.06549	4.5
86.09681	1.1
91.05481	13.2
93.07046	17.8
95.04977	10.9
95.08606	42.2
97.02887	2.0
97.06516	6.0
97.10152	3.8
99.04465	0.9
99.08086	4.3
103.05470	0.8
105.07037	13.0
107.04941	2.3
107.08593	26.5
109.06522	15.0
109.10153	100.0
111.04456	1.1
111.08095	5.8
113.09644	1.4
115.05492	1.2
117.07017	1.2
118.38947	0.8
119.08579	29.6
120.08124	0.9
121.06540	1.0
121.10143	14.4
123.08070	18.0
123.11697	11.8
125.09604	5.3
127.11231	0.9
129.06969	1.8
131.08559	2.6
133.06516	1.1
133.10126	22.2
135.11691	58.9
136.11984	1.2
137.09616	16.3
137.13304	1.2
138.10222	0.9
139.03987	1.0
139.11209	5.3
141.06979	1.1
147.08081	1.4
147.11696	5.3
149.09615	4.1
149.13271	5.8
151.03838	0.9
151.07611	1.3
151.11180	11.2
151.14830	13.1
153.12732	3.6
155.03365	1.3
155.08559	1.9
157.10117	3.5
163.97722	1.6
165.05574	1.0
165.07024	1.0
165.12837	2.2
165.16405	2.5
167.10721	3.5
168.05824	0.9
169.10091	1.7
175.11261	3.6
175.14827	19.6
179.06454	2.3
183.08043	1.0
193.08571	1.1
193.10457	1.0
193.12262	6.8
193.14090	1.3
193.15874	14.9
199.34691	1.0
201.11885	0.8
205.98792	1.1
211.07506	3.1
211.09232	3.4
211.11197	2.3
211.13206	2.0
211.14818	3.5
211.16873	1.8
211.18819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03935	7.1
55.01871	6.3
55.05288	2.8
55.05517	25.6
56.96572	19.3
57.03430	5.1
65.03929	3.0
67.05169	4.5
67.05507	68.0
69.03419	8.8
69.07070	20.5
71.04998	16.0
71.32754	4.5
73.59101	2.7
78.64957	2.4
79.05497	63.9
81.03419	13.7
81.07062	68.1
83.04980	25.2
83.08647	13.6
84.08048	2.4
84.96034	3.0
85.02898	7.2
85.06544	5.3
87.04461	7.5
88.85349	2.6
91.05482	74.9
93.07049	40.0
95.04971	100.0
95.08608	31.7
97.02875	3.7
97.06528	18.9
97.10127	2.9
97.99219	6.5
98.20875	3.0
99.04434	4.3
99.08099	2.9
101.02381	4.3
105.07034	52.7
107.04961	17.5
107.08586	37.1
109.06527	25.3
109.10153	7.9
110.02405	2.4
111.04449	16.1
111.08092	5.1
113.06007	3.4
115.11826	2.6
116.00241	2.6
117.07021	8.7
119.08569	25.3
121.10142	9.2
123.08041	6.7
123.11701	9.1
125.09631	4.5
129.07013	24.8
130.06554	6.5
131.08574	15.6
133.06487	7.7
133.10123	36.7
135.08046	26.3
135.11682	8.0
137.09647	5.4
141.06953	4.9
142.07782	4.6
145.96614	3.4
147.11710	30.7
149.09680	13.8
149.20082	2.5
151.07568	4.2
151.11191	25.1
155.08578	11.6
157.10165	14.3
163.97726	3.1
165.12801	13.4
169.10141	11.1
175.11189	21.9
181.10175	6.6
183.11731	6.0
193.12238	21.0
196.12445	4.1
204.94269	2.8
205.98755	5.8
211.07635	5.6
211.11069	10.7
211.13226	17.1
211.15007	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	211.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01865	1.2
55.05513	4.5
56.96550	2.2
57.03440	1.1
57.07061	2.9
59.04996	1.9
60.53518	0.7
61.26982	0.9
67.05505	13.3
68.99791	8.3
69.03410	2.3
69.07070	11.9
70.06559	0.8
71.04971	3.3
71.07676	1.9
71.08639	1.4
73.06540	3.3
75.04485	12.4
78.43956	0.9
79.05511	5.6
81.03419	4.0
81.07059	29.9
83.04967	3.4
83.08601	2.1
85.04808	0.8
85.06539	11.1
91.05470	6.5
93.07043	7.8
95.04972	78.0
95.08610	29.0
97.06533	2.1
99.04451	2.5
105.07050	4.7
107.08604	8.6
109.06532	5.5
109.09458	1.2
109.10162	20.0
111.04405	2.3
111.08068	0.9
115.05476	1.1
116.00237	1.2
119.08596	5.4
121.06526	5.4
121.10137	1.8
122.76998	0.9
123.04424	3.0
123.08080	1.7
123.11713	100.0
124.12004	0.9
127.07520	1.4
129.06920	1.2
133.10132	9.0
135.11748	1.4
137.09621	31.7
139.07542	14.5
143.08594	1.4
147.11670	2.1
148.72159	0.8
151.07556	1.7
151.11191	14.2
153.06966	1.4
153.09106	1.1
155.08569	2.9
157.10201	1.1
161.09608	4.5
163.97826	1.3
165.12701	1.1
166.08720	0.8
168.09325	1.5
169.10114	2.8
169.12218	3.7
175.11194	1.1
175.14880	1.0
179.06410	1.8
179.10681	49.6
181.06519	1.1
182.07341	1.2
183.08084	1.1
183.11684	2.9
183.13785	2.6
193.08557	1.8
193.10187	1.4
193.12262	2.4
196.08862	3.5
205.98706	1.4
211.07521	2.9
211.11255	6.8
211.13194	2.7
211.15067	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	211.1328
Annotation	1S-Acetoxy-3-myodesertene
Peak:m/z	Relative Intensity
53.03945	0.9
55.01862	1.7
55.05515	6.0
56.96554	5.0
57.03433	2.7
57.07069	2.9
59.05000	1.7
65.03927	1.4
67.05505	15.2
68.99799	7.4
69.03431	1.9
69.07065	15.6
70.06573	1.4
71.04989	2.8
71.08652	1.8
71.57458	1.2
72.08148	1.3
73.06554	3.8
74.35077	0.9
75.04483	13.9
79.05481	6.9
81.03429	5.1
81.07057	28.7
83.04972	5.6
83.08616	1.7
84.96045	1.4
85.02888	1.7
85.06538	12.4
86.09750	1.2
89.20842	1.1
91.05472	7.0
93.07056	8.2
95.04972	79.6
95.08610	28.8
97.02840	1.1
97.06552	2.8
99.04462	3.3
105.07037	6.6
107.04975	1.0
107.08592	9.8
109.02891	1.2
109.06539	7.0
109.10158	24.5
111.04437	2.8
111.08065	2.5
114.05613	1.0
115.07568	1.2
117.07013	1.0
119.08601	7.6
120.53128	0.9
121.06474	5.4
121.10157	1.9
122.89473	1.0
123.04448	3.0
123.08068	2.9
123.11711	100.0
129.06990	1.9
133.10121	9.0
135.11700	2.7
137.09616	33.5
139.07542	19.7
141.05463	1.1
141.06958	1.4
143.08595	1.4
145.30615	1.1
147.11703	2.1
151.11180	17.1
152.07069	1.3
155.08545	2.9
161.09589	5.2
163.97711	1.8
165.07024	1.3
168.09276	1.7
169.10139	3.6
169.12259	5.4
179.10674	50.4
181.10136	1.6
181.98746	1.9
183.08125	2.2
183.11684	2.5
183.13844	2.6
193.08527	1.0
193.10278	1.0
193.12257	2.9
196.08817	3.0
196.12543	1.4
205.98810	2.7
211.07492	7.6
211.09410	2.0
211.11430	5.5
211.13176	3.4
211.14897	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03947	6.2
55.01870	8.1
55.05513	37.0
57.03442	9.4
57.07074	1.1
57.31012	1.0
58.06595	1.9
59.04997	2.2
65.03934	2.0
67.05167	1.6
67.05505	30.8
69.03429	11.4
69.07065	13.7
70.06580	3.1
71.04997	6.0
71.57691	0.9
71.58072	1.1
79.05491	34.2
81.03417	100.0
81.07056	41.6
83.04983	52.9
83.08620	34.7
84.08141	2.3
85.02905	2.1
85.06540	2.3
91.05479	38.8
93.07051	21.4
95.04353	2.1
95.04970	36.7
95.08615	15.7
96.05282	1.6
97.02890	3.9
97.06519	5.7
97.10171	8.8
99.04430	2.0
99.08081	2.3
100.56752	1.1
103.05461	1.3
105.03355	1.2
105.07030	28.1
107.04961	6.9
107.08598	11.8
109.06519	10.8
109.10149	3.9
111.04430	3.8
111.08084	11.4
113.06023	1.6
115.05463	1.8
115.93028	0.9
117.07002	2.4
119.04925	1.2
119.08578	21.6
120.08093	1.3
121.06533	2.8
121.10153	9.0
123.08070	5.1
123.11719	1.7
124.07551	1.2
125.09621	4.6
129.07014	11.9
131.08568	12.7
133.06485	4.4
133.10132	16.2
135.08073	1.2
135.11684	1.3
137.05960	1.4
137.09628	2.8
140.10693	2.2
142.07768	3.1
147.08022	4.1
147.11688	16.9
149.09612	8.6
151.07581	1.4
151.11151	3.6
152.07103	1.0
155.08554	1.5
157.10120	16.9
163.11206	1.3
165.07057	1.4
165.09094	2.3
165.12727	5.8
168.10316	1.8
175.11188	18.5
181.06369	1.5
183.08073	2.1
183.11665	2.7
193.08636	1.4
193.12242	35.2
196.08870	1.9
211.07541	3.5
211.09370	1.1
211.11183	6.0
211.13290	18.2
211.15129	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03937	4.0
55.01871	8.6
55.05258	1.6
55.05512	24.0
56.96555	3.7
57.03431	4.1
57.07071	2.1
59.04976	1.4
60.27481	0.9
61.02924	1.1
63.19538	0.9
63.19913	0.9
65.03931	3.8
66.86311	0.9
67.05502	63.7
69.03429	6.2
69.06715	1.3
69.07067	17.2
70.89304	2.6
71.04998	11.6
73.02903	1.2
78.82787	0.9
79.05490	59.2
81.03421	9.9
81.07054	65.8
83.04982	25.7
83.08624	8.9
85.02888	2.7
85.06549	6.6
87.04463	6.6
90.24644	0.9
91.05477	72.9
92.05771	1.0
93.07041	37.5
95.04967	100.0
95.08602	29.3
97.02920	1.1
97.06526	17.9
97.10165	2.9
97.99187	1.0
99.04459	3.5
99.08077	1.9
101.02379	4.7
103.05444	1.2
104.45156	1.0
105.07027	52.6
107.04958	17.2
107.08592	37.0
109.06514	27.2
109.10160	8.1
111.04449	11.1
111.08080	3.4
113.06015	4.8
115.03928	0.9
115.05448	1.5
117.07010	7.6
119.08575	29.3
121.06496	1.4
121.10123	10.3
123.08076	4.5
123.11693	9.1
125.09604	5.5
127.07635	1.1
128.06187	1.8
129.06996	20.3
131.08572	15.4
133.06467	8.0
133.10130	40.2
135.08052	29.9
135.11696	6.0
137.05956	1.8
137.09567	5.2
141.06990	3.2
142.07811	6.2
145.10107	1.8
147.08037	4.9
147.11685	26.9
149.09612	11.3
151.07544	1.2
151.11177	27.3
153.09145	0.9
155.08553	1.8
157.10144	15.6
163.12587	1.0
165.09067	1.2
165.12753	16.4
167.08565	1.3
169.10164	4.5
169.11423	1.0
175.11185	21.6
183.11740	2.1
193.12245	21.8
211.11256	2.2
211.13275	10.8
211.15094	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
50.66774	0.7
51.02374	0.8
53.03941	5.6
55.01878	5.4
55.05510	43.6
57.03438	9.8
57.07071	1.0
59.04987	1.4
65.03930	1.8
67.05504	30.6
69.03438	9.5
69.07069	10.5
69.15529	0.6
70.19943	1.7
70.20339	1.4
71.04996	5.5
72.01763	0.5
79.05494	32.0
81.03419	100.0
81.06573	1.6
81.07057	35.9
83.04983	52.2
83.08621	32.5
85.02909	1.1
85.06547	2.6
87.04510	0.9
87.16526	0.7
91.04897	1.0
91.05479	31.6
93.07045	18.8
95.04972	35.3
95.08604	12.9
97.02899	2.3
97.06514	4.7
97.10179	9.1
98.21028	1.3
99.04470	0.9
99.08101	1.5
105.07035	24.0
107.04962	5.7
107.08604	7.5
109.06519	6.1
109.10167	2.3
110.09110	0.7
111.04458	2.6
111.08082	10.0
113.05984	0.8
115.05446	1.6
116.06278	0.7
117.07016	2.0
118.97800	0.6
119.04941	0.8
119.08582	20.5
121.06528	1.8
121.10135	6.5
123.08055	3.5
124.94696	0.9
125.09641	2.0
128.06175	0.7
129.07002	11.5
129.07889	0.8
131.08577	13.3
133.06491	3.5
133.10136	10.7
137.09651	2.2
142.07814	3.5
145.10147	1.5
147.08052	3.7
147.11687	14.9
147.12782	1.3
149.09641	6.9
157.10121	15.6
163.11240	1.0
165.12805	2.6
172.27452	0.7
175.11195	17.4
193.12245	36.1
199.59631	0.8
210.02330	0.6
211.13245	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
52.01854	1.4
52.02861	1.3
53.03939	5.4
53.46589	1.3
55.01874	12.9
55.05511	43.0
56.96582	7.6
57.03431	6.8
57.07060	4.4
58.48822	1.3
59.05002	2.4
65.03927	3.2
67.05504	88.0
69.03437	7.4
69.07068	32.4
70.01733	4.8
71.04990	14.9
79.05492	67.4
81.03418	15.3
81.07056	97.0
83.04977	32.9
83.08617	27.6
85.02904	31.9
85.06537	10.8
87.04463	9.2
91.05480	83.6
93.07042	51.2
95.04965	100.0
95.08606	71.4
95.09226	2.8
96.08896	1.5
97.02883	2.8
97.06532	27.8
97.10159	12.4
98.20935	2.6
99.04445	2.3
99.08080	2.0
99.36870	1.6
100.73919	1.3
101.02361	4.2
105.07027	63.0
107.04289	1.7
107.04953	20.7
107.08593	45.1
109.06516	31.7
109.10151	25.7
111.04434	11.8
111.08076	7.7
111.11728	2.6
113.05984	6.0
115.05447	2.8
117.07018	11.7
119.08577	41.6
121.06516	1.7
121.10132	17.6
123.08041	5.6
123.11707	10.5
125.09631	10.3
127.07557	2.7
128.06177	2.1
129.06989	26.2
131.08577	18.9
133.06500	9.4
133.10130	51.9
135.08052	34.4
135.11656	6.6
137.09612	8.7
141.06940	2.1
142.07787	4.9
145.10138	1.6
147.08076	3.5
147.11688	36.8
149.09621	13.1
149.13228	4.9
151.11180	29.3
151.14798	4.3
153.09067	2.8
155.08522	2.3
157.10126	14.5
160.47928	1.4
165.12741	16.2
167.08347	1.5
169.10077	5.7
169.12248	13.9
175.11188	21.3
175.14816	15.6
181.10139	1.7
182.53929	1.5
183.11699	2.2
193.12241	32.2
193.15854	4.2
194.08069	2.2
196.12524	2.0
205.98848	2.3
211.11153	2.7
211.13242	17.1
211.14867	8.4
211.16859	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
55.01844	5.3
55.02738	1.3
55.05511	17.5
57.03405	6.1
57.07038	5.9
59.04999	45.5
67.05506	25.5
67.70603	1.7
69.03396	5.2
69.07066	20.5
70.06595	11.9
70.90359	4.1
71.04948	6.9
73.02903	2.4
79.05498	14.9
81.03409	16.8
81.07055	43.8
83.01331	3.2
83.04556	1.6
83.04976	19.7
83.08620	8.2
84.08121	2.9
85.02863	3.4
85.06498	4.3
86.09693	7.4
91.04964	2.0
91.05479	28.0
93.07045	23.2
95.04971	16.1
95.08599	14.5
96.86040	1.5
97.02843	2.4
97.06482	4.3
97.10100	1.7
98.06016	3.5
99.04465	2.7
99.08086	1.8
101.02489	1.7
105.06403	2.1
105.07027	30.5
107.04951	2.8
107.07983	2.4
107.08598	25.5
109.02833	4.2
109.05792	2.0
109.06510	32.6
109.10154	100.0
111.04393	2.6
111.07384	2.4
111.08080	40.1
113.02270	1.7
113.05983	3.1
119.04877	1.8
119.08576	13.1
121.06458	4.2
121.10100	7.0
123.04395	2.3
123.08032	8.2
123.11707	35.3
125.05967	1.8
125.09584	5.8
127.07551	3.9
129.06956	2.4
131.08485	5.7
133.10126	66.4
135.08002	7.0
137.05916	6.4
137.09579	2.2
137.13177	3.4
139.07501	5.6
141.05501	1.8
147.08055	2.8
147.11693	22.5
149.09529	2.8
149.13193	1.8
151.02327	2.5
151.07443	4.8
151.11183	68.2
153.09085	7.2
155.06943	10.2
155.08321	2.6
157.10056	3.3
165.09012	2.0
165.12752	14.4
169.12161	3.0
175.11147	8.1
183.07988	1.9
183.11697	1.8
183.14946	1.7
193.08542	3.7
193.10683	2.2
193.12254	27.8
196.08740	1.9
205.98628	2.2
209.89604	1.9
211.07539	3.1
211.11566	3.4
211.13196	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90143	100.0
94.93002	50.1
96.36630	21.9
114.30035	25.7
120.94540	32.1
142.03555	33.2
210.94043	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.37095	0.4
51.37739	0.4
51.78600	0.4
55.01877	0.5
55.05495	1.4
57.03426	0.4
57.07077	4.3
65.03921	0.4
67.05495	2.7
69.03426	1.2
69.07055	1.5
69.98491	0.4
71.04982	1.4
71.37130	0.9
73.35126	0.4
76.57365	0.4
78.46442	0.4
78.97726	0.4
79.05489	4.5
81.07056	6.2
83.04980	1.2
83.08620	1.0
85.02854	0.5
85.06527	0.8
91.05471	3.2
93.07042	4.3
95.04974	3.4
95.08603	4.8
97.06541	1.2
105.07031	3.0
107.04980	0.5
107.08607	5.7
109.06519	100.0
109.10150	5.6
111.08124	1.1
117.07005	1.1
119.08614	1.1
121.06524	1.3
121.10124	2.4
123.08068	9.6
131.08574	4.1
133.10143	2.8
135.08057	19.3
135.11713	0.8
145.10159	1.4
147.08054	0.6
147.11714	1.2
148.08844	0.9
149.09621	3.0
149.13289	1.1
150.10405	1.5
151.11171	3.8
153.09108	3.9
161.09663	0.7
162.10431	0.4
163.11169	0.7
163.14943	0.6
165.12845	0.8
167.08614	0.9
167.63493	0.4
173.13287	4.4
176.11993	0.6
181.10107	0.9
190.12424	0.5
191.14314	19.5
194.02098	1.4
194.10939	0.6
200.98038	0.5
209.04449	1.2
209.09862	0.8
209.11659	0.9
209.13318	1.2
209.15334	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05516	7.6
56.36220	1.0
57.07082	2.3
59.04998	2.2
63.08726	1.0
67.05506	9.1
69.03432	10.8
69.07067	9.6
69.76493	3.9
69.76907	2.7
71.05016	6.0
71.05355	1.1
75.53691	1.0
79.05493	4.4
81.07056	12.7
83.04980	14.7
83.08607	3.7
84.54698	1.4
91.05479	6.5
93.07043	13.2
95.04991	8.3
95.07683	1.1
95.08608	29.1
97.06544	5.9
98.21466	1.3
99.08103	3.8
105.07024	10.9
107.08593	37.6
109.06512	9.1
109.10155	14.2
109.61921	1.0
111.08108	4.1
113.09594	1.6
119.08589	3.5
121.06498	6.6
121.10142	31.5
123.08056	7.2
123.11704	3.3
125.09606	8.8
131.08585	5.7
133.10138	11.9
135.08060	13.3
135.11682	7.4
137.09633	3.7
139.11206	3.7
143.08514	1.2
145.10152	3.3
147.11674	6.9
149.09613	9.7
149.13261	16.7
151.11182	100.0
153.09100	2.5
156.51591	1.1
158.10924	3.0
163.13661	1.6
163.14798	7.8
165.12758	7.9
173.13275	12.1
191.14307	38.6
209.15358	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.79025	2.2
53.03949	2.5
55.01880	13.4
55.05511	26.2
57.03421	3.4
57.07082	27.0
58.93648	2.3
59.05003	3.3
65.03927	5.1
66.88069	2.4
67.05508	32.6
68.99791	6.4
69.03414	4.4
69.07075	36.3
70.91479	8.2
71.01345	4.6
71.04995	19.8
73.65434	2.4
79.05503	22.5
81.07064	36.7
83.04982	17.0
83.08633	19.1
85.06552	39.3
89.01003	2.6
91.05484	16.3
93.07043	47.6
95.04993	13.5
95.08612	37.4
97.02856	3.2
97.06094	2.2
97.06532	23.9
98.72302	2.3
98.73059	2.8
99.04457	2.7
99.08106	12.6
102.36283	2.4
104.31895	2.4
105.07028	31.9
107.04955	7.2
107.08607	50.3
109.02874	4.9
109.05776	3.8
109.06522	50.6
109.10162	58.0
111.04457	19.2
111.08062	12.4
113.09647	6.5
113.97251	2.6
117.06987	5.4
117.95967	8.6
118.96795	4.2
119.08542	11.2
121.06478	5.7
121.10143	31.1
123.08081	21.5
123.11710	14.7
125.05975	16.1
125.09606	6.9
127.07530	4.2
131.04968	2.6
131.08585	23.3
133.10141	100.0
135.04393	4.8
135.08069	19.3
135.11673	7.6
135.96980	6.2
137.09544	3.4
139.07463	3.4
139.28548	2.5
143.08540	3.7
145.10136	10.5
147.11659	12.2
149.09631	18.2
149.13283	36.5
151.11194	76.9
153.05457	9.5
153.06979	4.2
153.09087	9.9
163.11163	10.0
163.14787	7.3
165.12758	3.3
166.07811	4.6
167.10701	2.7
167.14261	6.5
173.11794	3.1
173.13258	44.3
179.08511	8.5
181.12251	15.8
191.10652	13.9
191.14288	33.9
194.02106	38.2
209.04306	27.7
209.06003	12.6
209.09720	6.2
209.11684	41.5
209.13365	7.2
209.15341	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05515	4.1
57.07058	1.4
61.07299	1.7
65.09177	2.3
67.05503	6.7
69.03444	8.8
69.07080	3.3
70.06667	5.3
79.05498	10.6
81.07055	12.5
91.05480	13.2
93.07047	8.9
95.04971	2.3
95.08598	4.6
98.20921	3.3
98.21470	2.1
100.64725	1.4
105.07029	11.6
107.04964	3.0
107.08591	29.8
109.06513	13.1
109.10150	10.5
115.05452	5.6
116.06213	1.7
117.07015	4.9
119.06060	1.9
119.08578	3.1
121.06554	2.5
121.10143	20.3
122.07269	10.9
123.08035	2.3
123.19446	1.6
131.08551	4.6
133.10135	100.0
135.08066	21.8
137.09619	85.8
145.10139	2.6
147.11703	2.3
149.09698	1.7
149.13271	13.0
158.10965	1.7
159.71460	1.6
163.14796	2.4
173.13298	6.6
191.14337	6.2
194.02246	1.5
209.15331	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	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03941	1.5
55.05504	2.7
57.07090	1.8
59.05012	0.8
61.02930	0.9
67.04256	1.5
67.05501	4.5
68.04580	1.3
68.68702	0.6
69.03428	13.1
69.07062	3.7
70.43052	1.0
70.43402	1.8
71.05006	1.5
76.07602	0.5
79.05495	3.1
81.03425	10.1
81.07058	8.2
83.04998	2.8
83.08632	0.8
91.05496	2.2
93.07053	5.0
93.96312	0.6
94.87157	0.6
95.04971	6.8
95.08605	11.2
97.06554	1.2
98.21289	1.0
99.08095	1.3
100.02219	2.1
101.02477	1.3
101.03016	2.2
102.03333	2.1
105.07033	4.3
107.04924	0.9
107.08593	11.3
108.05778	0.6
109.06525	10.4
109.10180	1.8
111.08101	0.9
117.06998	0.6
119.08582	5.5
121.06528	1.0
121.10152	13.9
122.07278	0.6
123.08081	11.9
123.11715	8.4
131.08624	0.9
133.10132	0.8
135.08055	1.4
135.11728	1.5
137.09604	3.9
137.13232	2.6
145.10141	0.9
147.11688	3.6
148.02531	3.5
149.02873	7.4
149.09634	8.3
149.13260	6.9
150.02084	1.6
151.11209	5.7
156.75415	0.7
163.11203	0.7
163.14812	1.0
165.12762	100.0
173.13245	1.1
191.14317	2.1
209.15375	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	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03935	3.9
55.01868	3.3
55.05514	81.9
57.03423	3.5
57.07062	5.3
59.04987	4.4
63.60563	1.3
65.03947	1.6
67.04234	2.4
67.05506	20.7
69.03436	10.1
69.07079	10.3
70.06589	2.6
71.04979	6.4
71.58718	2.1
79.05495	17.3
81.03410	2.9
81.07060	30.0
83.04984	100.0
83.08145	2.5
83.08625	43.4
84.08135	4.2
85.02880	1.7
85.06530	7.2
91.05473	14.0
93.07044	21.6
95.04974	43.2
95.08606	17.5
96.08917	2.9
97.06532	15.8
97.10175	11.2
99.04457	7.8
99.08083	1.8
99.55412	1.8
100.02184	2.7
101.02984	4.2
102.03307	4.0
103.05478	2.1
105.07031	14.0
107.04944	3.3
107.08599	46.1
109.06532	33.0
109.10158	29.3
111.04433	6.7
111.08077	13.0
113.06013	2.0
113.09615	3.0
114.03763	1.7
117.07008	2.9
119.08590	9.2
121.06496	6.1
121.10151	27.8
123.08078	10.5
123.11713	16.1
125.05985	3.4
125.09641	21.2
127.69594	1.8
131.08595	13.0
133.02838	2.1
133.10127	19.6
135.08073	13.2
135.11687	11.0
137.09572	6.5
139.07582	2.8
145.06418	1.8
145.10165	8.1
147.11716	6.3
148.02493	4.7
149.02856	15.1
149.06012	3.9
149.09631	14.6
149.13275	14.6
150.02066	3.3
151.11198	45.4
153.09119	13.8
158.10852	3.1
161.02383	2.9
163.11148	5.0
163.14816	6.0
165.12764	2.2
167.07098	13.8
167.14326	81.1
173.13271	13.2
181.04909	1.8
191.10651	6.2
191.14392	19.9
194.00507	2.8
194.02142	29.6
209.02611	2.6
209.04443	20.3
209.09616	4.6
209.11731	9.0
209.15375	56.4
210.11278	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57163	20.0
76.82332	14.7
78.95622	31.4
129.97679	13.0
150.01448	32.4
166.71803	14.1
207.99820	100.0
208.01550	25.1
229.85837	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
53.03947	15.8
55.01873	8.7
55.05513	10.6
57.03434	4.2
57.07056	2.7
59.04986	2.0
65.03927	2.8
67.04256	1.3
67.05506	27.9
68.04574	1.2
69.03430	13.9
69.07072	8.8
70.06586	1.0
70.91167	2.0
71.01328	1.0
71.04984	2.7
79.05058	1.6
79.05495	21.5
81.03417	31.8
81.07062	29.0
83.04980	12.8
83.08603	2.7
84.08140	1.4
85.02881	2.2
85.06537	1.5
90.57523	0.9
91.05482	17.2
93.07046	21.8
94.06506	0.9
95.04974	16.9
95.08607	16.3
97.02879	7.5
97.06523	6.0
98.21173	1.1
99.04443	1.5
99.08099	2.1
100.02207	1.0
101.02471	1.8
101.03029	1.7
102.03326	1.5
103.05449	2.4
105.07024	13.5
106.04129	1.6
107.04945	14.3
107.08593	24.7
109.06526	18.0
109.10143	3.5
111.04447	10.2
111.08081	2.9
113.05973	1.3
115.05491	0.9
117.07021	7.4
119.08595	11.9
121.06511	6.5
121.09296	1.5
121.10152	23.9
123.04428	1.8
123.08077	16.2
123.11723	8.8
125.05997	3.7
125.09637	1.0
129.06984	2.8
130.07782	2.4
131.04912	2.7
131.08566	7.3
133.10097	3.1
135.08038	4.5
135.11703	10.6
137.09610	5.6
137.13226	2.3
139.07530	1.0
143.08525	1.7
145.06482	4.1
145.10129	17.4
147.08078	1.8
147.11647	5.3
148.02516	2.3
149.02885	5.0
149.05960	2.4
149.09624	26.5
149.13277	10.1
150.02066	1.7
151.11195	6.0
153.06929	1.1
153.09053	1.7
153.12752	3.0
155.08575	5.3
163.11195	14.2
163.14882	1.7
165.12759	100.0
173.09630	9.9
173.13246	2.1
181.06525	0.9
181.12257	3.0
191.10657	10.6
191.14340	4.3
194.02144	4.4
201.58595	1.0
209.04431	3.7
209.09721	1.8
209.11781	12.5
209.15355	44.2
211.49387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57163	20.0
76.82332	14.7
78.95622	31.4
129.97679	13.0
150.01448	32.4
166.71803	14.1
207.99820	100.0
208.01550	25.1
229.85837	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.49099	1.4
53.03947	3.4
55.01869	3.1
55.05505	11.9
57.03436	3.1
57.07082	7.2
57.82312	1.5
59.04981	2.2
61.02907	1.7
65.03928	2.1
67.04253	2.8
67.05511	10.8
69.03429	12.3
69.07065	10.8
71.04987	8.9
71.38374	2.6
72.06161	1.3
79.05492	14.7
81.07060	22.6
83.01323	1.6
83.04998	10.3
83.08602	2.1
85.02923	2.9
85.06525	4.1
91.05474	25.3
93.07037	18.2
95.04972	19.5
95.08605	30.5
95.69406	1.6
97.02886	2.0
97.06512	5.7
97.07071	1.3
100.02197	2.9
101.02969	2.9
103.05447	1.5
105.07035	42.3
106.07890	1.5
107.04940	2.9
107.08595	50.3
109.06534	26.5
109.10148	11.3
111.04387	1.9
111.08079	3.4
115.96445	2.4
116.06248	1.9
117.07030	2.9
119.04948	6.1
119.06088	1.5
119.08579	41.5
121.06502	16.8
121.10140	28.7
122.07242	7.4
123.04469	1.7
123.08073	35.0
123.11729	7.0
125.05970	2.9
125.09608	5.2
128.06239	2.4
129.07025	4.1
131.08577	15.7
133.06508	10.0
133.10135	16.9
135.08023	6.4
135.11710	4.7
136.08751	1.7
137.05984	8.9
137.09616	23.2
137.13228	4.8
139.07518	1.9
140.82153	1.4
143.08560	8.3
145.10124	8.0
147.04381	2.4
147.08078	9.1
147.11682	31.7
148.02515	10.3
149.09625	74.3
151.07550	62.6
151.11154	3.5
153.09128	1.5
156.09372	9.4
159.08051	3.6
159.11699	1.9
161.09662	10.0
161.13271	21.7
163.11179	11.0
165.09122	25.6
165.12744	25.7
171.11717	12.0
174.10374	7.9
179.07101	2.3
179.08788	1.3
179.10603	2.5
179.14267	10.2
189.06902	2.3
189.12743	47.9
199.33347	1.7
207.06403	7.7
207.08299	2.6
207.10176	4.8
207.13809	100.0
208.14047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.68635	1.8
52.68927	2.0
55.01852	7.1
55.05515	17.0
57.03420	4.8
57.07043	2.5
59.05000	1.8
65.03586	1.8
65.03933	2.7
67.05511	11.2
67.44997	1.9
69.03407	6.2
69.07061	18.2
70.87222	2.8
70.87543	3.4
71.04973	6.3
74.75958	2.1
77.03914	2.8
79.05490	12.8
81.07053	20.1
83.04984	19.3
83.08597	4.3
85.02904	32.7
85.06544	4.5
91.04960	2.6
91.05470	27.2
93.07045	23.8
95.04961	15.4
95.08607	20.9
95.94157	2.0
97.06534	14.7
98.09696	2.1
99.04471	2.9
103.05470	3.5
105.07033	42.0
105.66267	2.1
107.04921	3.3
107.08585	30.4
109.05788	4.1
109.06521	64.7
109.10189	14.7
111.04397	3.4
111.08068	17.6
115.96385	2.4
117.07002	5.0
119.04934	14.5
119.07778	3.4
119.08585	44.5
121.06483	6.2
121.10151	39.9
123.04427	5.9
123.08068	30.4
123.11712	24.4
128.06273	2.4
131.08554	8.3
133.06474	7.2
133.10144	24.4
135.08061	10.4
135.11644	4.0
137.05956	5.9
137.09616	23.7
137.13237	3.3
143.08511	5.3
145.10112	10.2
147.04391	8.7
147.08032	17.3
147.11690	58.7
149.02356	2.9
149.09616	42.9
151.07538	21.5
151.11076	4.1
156.09355	9.7
159.08044	8.4
159.11638	3.1
160.08893	4.6
161.05972	4.0
161.09634	17.5
161.13260	31.2
163.11201	9.4
164.04703	3.6
164.08325	3.5
165.05533	2.5
165.09097	3.6
165.12761	77.9
171.11668	17.2
171.96629	2.2
174.10423	29.7
175.03867	9.9
179.14262	3.9
189.09077	4.9
189.12744	68.9
207.06462	12.0
207.10197	6.5
207.13797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03933	3.7
55.01879	3.3
55.05518	10.2
57.03431	3.6
57.07064	3.3
57.14581	1.3
59.04985	2.2
61.02902	2.0
65.03933	5.9
67.04237	4.0
67.05506	14.4
69.03432	15.3
69.07073	10.1
69.52155	1.2
70.05579	2.5
70.05992	4.2
71.04963	2.8
77.03906	1.7
79.05496	15.4
81.03382	2.8
81.07053	15.5
83.04980	9.5
83.08614	1.5
85.01113	3.4
85.02919	2.2
85.06528	2.7
86.01428	1.9
89.03928	2.2
90.74368	1.3
90.96784	6.5
91.05481	69.5
91.97128	2.0
92.96336	2.4
93.07034	14.3
94.04272	1.3
95.04982	14.2
95.08613	25.7
97.06535	4.8
98.21152	3.2
99.04451	3.2
100.02225	8.3
101.02993	10.3
103.05453	3.9
105.03410	1.7
105.07033	40.3
107.04943	4.7
107.08604	20.5
108.05739	2.6
109.06510	19.6
109.10149	7.4
110.07235	1.5
111.08091	3.3
115.05437	4.6
115.96462	2.4
117.07014	4.8
118.04137	3.9
119.04948	50.3
119.08583	41.4
121.02861	5.4
121.06520	21.1
121.10149	24.5
123.04426	3.4
123.08079	30.7
123.11718	3.6
125.05988	2.7
125.09631	3.0
128.06218	3.9
129.07001	5.6
130.06520	11.7
130.07423	1.7
131.04935	1.7
131.08583	11.8
132.02089	2.9
133.01349	1.6
133.06497	16.8
133.10139	19.8
135.04417	2.9
135.08052	10.1
135.11670	7.3
136.05197	3.1
137.05986	46.3
137.09616	11.7
137.13243	4.9
137.42654	1.4
139.07555	1.3
143.08609	7.5
145.10153	7.2
146.03558	2.3
146.07257	1.4
147.04422	47.7
147.08054	21.7
147.11687	28.0
148.02501	23.2
149.02373	4.7
149.09619	33.2
151.07552	32.9
151.11176	3.8
156.09361	7.0
157.03944	3.1
159.01228	1.5
159.08040	2.6
159.11708	2.1
161.05991	68.0
161.09621	14.4
161.11946	2.8
161.13258	39.9
163.11194	26.7
164.04665	3.9
164.12009	7.8
165.09116	5.8
165.12758	40.6
171.11714	12.4
174.03708	2.5
174.06837	1.5
174.10403	3.2
175.03911	41.4
179.07065	5.4
179.08546	1.9
179.10744	1.9
179.14311	5.4
183.97546	1.7
189.05449	4.4
189.09093	6.2
189.12740	35.1
192.04178	3.6
207.06526	27.7
207.10158	7.6
207.13803	100.0
207.17201	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	1.8
55.05505	8.2
57.07062	4.4
59.04993	2.1
61.40146	1.2
67.05180	2.0
67.05508	32.4
69.03419	4.5
69.07055	3.0
71.02865	1.7
71.03196	2.0
71.04992	1.9
71.08635	1.7
79.05476	6.6
81.07048	6.1
83.04953	4.1
83.08592	1.5
85.06551	9.8
85.46813	1.3
91.05475	10.8
91.76318	1.3
93.07046	14.1
95.04948	5.1
95.08607	100.0
97.06514	1.7
105.07034	16.9
107.08595	21.0
109.06506	5.6
109.10148	4.6
113.06007	4.6
117.06986	1.8
119.08581	26.4
121.06479	3.5
121.10160	21.0
123.08066	57.2
123.11698	5.2
131.08549	5.1
133.06444	2.4
133.10109	5.3
135.08041	1.8
135.11685	3.6
137.09615	4.9
145.10184	2.3
147.08029	6.1
147.11690	16.0
149.09619	52.7
151.07498	2.0
151.14839	4.2
156.09348	2.4
159.08047	2.5
161.13274	18.6
163.11108	3.0
165.09129	2.8
165.12732	10.3
168.72040	1.2
171.11664	3.9
174.10399	2.8
179.14299	2.9
189.12740	23.6
207.13799	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02375	1.4
53.03946	7.0
55.01862	1.4
55.05516	4.9
55.54147	0.5
57.03440	0.7
58.33525	0.5
62.59290	0.5
65.03947	1.5
65.70199	0.5
67.05508	22.9
69.03440	6.2
69.07067	6.0
71.04990	2.2
71.33595	0.9
73.06542	0.6
73.50876	0.6
76.95424	0.5
77.03910	1.6
77.99864	0.5
79.05496	40.6
81.03416	1.3
81.07062	19.9
83.04987	2.0
83.08607	2.0
85.02901	0.6
85.06547	2.9
87.04505	0.6
91.04886	1.3
91.05485	52.5
93.07048	100.0
94.07347	0.9
95.04974	13.8
95.08608	7.6
96.86943	0.6
97.06537	2.1
103.05457	0.6
105.04536	3.1
105.07035	25.7
106.07341	0.6
107.08595	9.0
109.06532	4.4
111.04475	0.7
111.08119	1.2
115.05431	0.8
115.96461	2.2
116.97227	0.8
117.07036	4.7
119.08590	14.9
121.06502	2.2
121.10135	2.0
123.08045	2.9
124.00364	0.5
127.07528	0.9
129.07013	9.7
130.07855	0.8
130.74854	0.5
131.08601	1.0
133.10152	5.5
133.97537	1.2
134.38127	0.5
135.08113	0.7
135.11678	0.9
137.05969	0.9
143.08580	5.8
145.10135	8.6
147.08076	1.5
147.11693	54.7
161.09578	3.0
161.13260	8.1
163.80148	0.5
165.09113	1.1
165.12747	1.0
171.11705	20.4
189.12747	10.9
207.06516	1.3
207.11845	0.7
207.13792	16.1
207.17160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
53.03934	0.4
55.01860	0.4
55.05509	1.2
56.96567	2.2
57.03437	0.4
57.07064	0.9
59.04990	0.3
67.05502	1.7
67.89394	0.2
69.03412	0.5
69.07074	2.2
70.94578	0.4
70.94936	0.3
71.04983	0.5
79.05498	2.1
81.03425	0.4
81.07062	2.3
82.16373	0.2
83.04969	0.2
83.08611	0.3
84.36464	0.2
85.02894	0.2
85.06525	0.3
91.05476	2.6
93.07053	2.4
95.04971	2.1
95.08611	2.1
97.06500	0.3
98.21208	0.2
103.05479	0.4
105.06379	0.4
105.07030	5.3
107.08597	2.7
108.08852	0.2
109.06522	1.9
109.10156	0.7
111.08081	0.2
113.06090	0.2
115.96430	1.3
116.97215	0.5
117.06995	1.0
119.04919	0.3
119.08583	5.9
121.06493	1.4
121.10146	2.3
121.63594	0.2
121.97528	0.3
123.04398	0.2
123.08079	5.1
123.11700	1.6
125.09686	0.2
128.06204	0.3
129.06992	0.7
130.06505	0.4
130.07785	0.5
131.08563	1.8
133.06506	1.9
133.10141	1.3
133.97481	1.2
135.08093	1.0
135.11661	0.5
136.08823	0.4
137.05978	1.1
137.09607	0.5
137.13246	0.5
138.06813	0.3
141.06895	0.3
143.08569	1.0
145.10136	2.0
146.07280	0.2
146.10915	0.3
147.08073	1.1
147.11684	5.8
148.02512	0.3
149.09625	3.8
151.07545	6.5
155.55588	0.6
156.09364	1.1
158.05849	0.2
159.08052	3.8
161.09648	0.7
161.13290	1.2
163.11205	2.0
164.11951	1.1
165.01814	0.4
165.09146	1.3
165.12766	3.2
171.11717	1.2
173.09634	1.0
174.10414	4.8
174.58282	0.5
174.85371	0.2
175.11174	0.8
177.09099	2.1
183.02870	0.4
183.58675	0.4
183.97591	0.3
189.12756	8.3
190.13184	0.3
191.08955	0.3
191.10690	3.4
192.11452	26.3
193.11862	0.3
198.24962	0.2
207.06551	1.3
207.13805	100.0
208.14165	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
53.03940	3.2
55.01870	3.5
55.05497	5.6
57.66144	1.4
67.05492	5.8
69.03439	9.3
69.07058	3.0
70.16589	6.2
71.05004	2.6
74.09013	1.3
79.05496	10.2
81.03383	1.7
81.07062	9.9
83.05012	1.8
91.04942	1.3
91.05477	29.3
93.07045	27.2
95.04961	6.1
95.08595	10.5
97.02892	1.7
97.06527	3.0
99.04453	6.3
103.05460	3.7
105.07035	71.8
107.04949	5.1
107.08593	10.4
109.02864	1.4
109.06519	8.1
109.10165	3.4
115.05434	1.9
115.96484	1.6
117.07012	5.6
118.07814	1.5
119.04947	10.9
119.08592	20.5
121.06516	16.5
121.10112	4.1
123.04445	1.4
123.08061	6.9
123.11703	2.1
128.06224	9.8
129.07016	3.1
130.07787	1.5
131.08575	4.0
133.06509	28.8
133.10135	59.1
135.08023	2.8
135.11708	2.1
137.05975	6.4
137.09625	6.0
143.08571	18.5
145.06488	1.8
145.10138	9.0
146.07275	10.1
147.04399	5.6
147.08076	9.8
147.11688	7.6
147.30695	1.6
149.09613	5.1
151.07516	6.4
154.42548	1.3
159.08051	1.7
161.09625	100.0
161.13252	5.1
163.11182	20.9
164.04691	2.3
165.09084	4.8
165.12791	2.1
171.08038	3.2
171.11693	2.2
174.06755	3.1
175.03891	1.7
176.96681	1.4
179.10693	6.3
179.14330	1.6
189.09093	23.9
189.12738	6.6
189.16397	1.7
192.04263	2.1
193.70596	1.5
207.06474	8.2
207.10176	33.9
207.13725	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	207.1016
Annotation	Vibralactone C
Peak:m/z	Relative Intensity
51.02386	0.9
53.03935	3.0
55.01852	3.2
55.05505	5.2
57.03422	1.8
57.07059	1.3
59.04982	1.2
65.03944	1.8
67.05502	7.3
69.03432	8.3
69.07047	2.4
70.09077	3.6
71.04996	5.9
71.99085	2.2
77.03905	1.0
79.05501	11.4
81.03402	2.0
81.07060	10.7
83.04974	2.6
83.08591	1.4
85.02905	1.1
85.06512	1.5
85.86234	0.9
89.59746	0.9
91.05480	32.9
91.42599	0.9
93.07045	24.7
95.04961	7.8
95.08613	12.6
97.02904	1.0
97.06532	2.7
98.20986	2.2
99.04448	5.2
103.05472	3.0
105.03372	1.3
105.07030	85.3
107.04950	5.7
107.08585	13.5
109.02856	1.0
109.06507	8.8
109.10127	4.0
110.07246	1.1
111.04459	0.8
111.08038	1.1
115.05448	2.7
115.96395	3.1
116.06155	1.0
116.97172	1.3
117.05730	1.3
117.07003	3.9
119.04953	13.5
119.08576	23.8
121.06500	15.2
121.10125	6.0
123.04422	1.4
123.08086	11.2
123.11688	3.0
125.05984	1.5
127.02608	0.9
128.06213	8.2
129.06984	1.5
130.06538	20.7
130.07658	2.0
131.04907	1.2
131.08580	4.7
133.06494	26.2
133.10129	65.3
133.97484	1.4
134.10474	1.2
135.04391	1.7
135.08034	2.4
135.11661	3.3
136.05179	1.7
137.05997	6.5
137.09599	5.1
143.08565	14.8
145.06450	2.9
145.10120	9.4
146.03571	1.7
146.07256	7.5
147.04408	4.6
147.08051	8.6
147.11694	10.1
149.02327	2.9
149.09605	6.9
151.07545	8.2
151.11218	2.6
156.06863	1.6
156.09348	1.8
156.61755	1.0
159.08104	2.0
161.02972	2.0
161.09621	100.0
161.13223	6.0
162.03709	1.0
162.10146	1.0
163.11185	17.9
164.04671	3.2
165.05496	2.1
165.09137	4.4
165.12697	2.7
171.08026	3.5
171.11723	2.6
173.02982	3.7
174.03772	4.4
174.06734	2.8
175.03912	2.6
175.07539	1.1
179.07014	3.5
179.10663	8.5
179.14362	2.2
189.09093	22.7
189.12752	6.2
189.16397	1.6
190.05600	1.2
192.04153	2.2
207.02995	1.4
207.06607	10.9
207.10141	31.4
207.13725	13.8
207.17427	3.4
228.81688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	Vibralactone C
Peak:m/z	Relative Intensity
51.81007	1.1
53.03928	4.3
55.01866	3.5
55.05502	8.8
57.03413	1.5
57.07068	1.4
65.03928	2.1
67.05499	15.8
69.03426	11.0
69.07056	5.3
71.04977	4.5
77.03918	2.4
79.05497	20.5
81.03423	1.8
81.07063	16.7
83.04990	3.1
83.08598	4.4
84.08129	1.3
85.02898	2.1
85.06541	2.5
86.60858	1.1
91.05482	50.7
93.07044	54.5
95.04962	10.0
95.08606	18.9
97.06499	2.7
98.09656	1.7
99.04420	3.2
103.05468	3.4
105.07033	100.0
107.04937	3.6
107.08595	21.7
109.06525	12.2
109.10136	5.3
111.08085	2.7
115.05451	1.5
115.96464	6.1
117.07010	6.9
119.04938	20.4
119.08583	39.8
121.06509	15.9
121.10147	10.0
121.97583	1.8
122.44736	1.2
123.04441	2.4
123.08086	16.7
123.11735	2.7
128.06238	8.1
129.06981	4.3
130.06482	1.4
130.07747	2.8
131.04932	1.5
131.08580	6.2
133.06494	21.5
133.10133	92.0
133.97513	1.9
135.08047	1.8
135.11655	3.0
136.67661	1.4
137.05994	11.9
137.09657	9.0
143.08566	18.5
145.06395	2.2
145.10123	15.7
146.07240	4.5
147.04433	8.4
147.08063	10.8
147.11694	24.0
149.02345	3.0
149.06001	1.7
149.09630	9.1
149.13266	1.7
151.07550	12.5
151.11191	3.6
156.09364	1.7
161.06006	2.3
161.09619	87.9
161.13213	9.3
163.03917	1.5
163.11188	36.9
164.04691	4.1
165.09077	5.3
165.12744	5.5
171.08018	2.6
171.11699	5.9
174.06792	2.2
175.03873	2.5
179.07034	3.5
179.10703	14.9
179.14349	1.7
189.05440	1.6
189.09114	31.0
189.12779	10.7
189.16325	3.0
192.03793	1.9
207.02800	1.5
207.06575	18.0
207.10150	53.0
207.13748	22.3
207.17313	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	207.0652
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
50.01602	0.5
51.02379	0.8
53.03949	0.9
55.01869	1.2
55.05509	2.4
57.03437	0.5
57.07076	0.9
59.05005	1.3
60.62914	0.5
63.02385	0.7
64.03169	0.7
65.03943	10.0
66.04721	0.5
67.05508	4.8
68.66666	0.4
69.03426	2.9
69.07072	1.2
69.97189	0.4
70.89070	1.3
71.05004	1.1
76.03143	1.0
77.03927	2.6
79.05495	3.8
80.06280	1.4
81.03432	0.7
81.07069	2.7
83.04989	1.5
83.08627	1.0
84.08160	0.8
85.02911	0.8
85.06561	1.2
89.03934	4.9
90.04716	1.9
91.05484	100.0
92.05795	0.9
93.03423	0.9
93.07028	3.7
95.04964	2.6
95.08613	7.5
96.36108	0.5
97.06554	0.8
98.09676	0.9
103.05467	2.7
105.03403	2.0
105.07033	7.8
107.04964	2.8
107.08595	5.8
108.05759	1.3
109.06524	8.9
109.10165	2.0
111.08124	0.8
117.03387	0.5
117.07006	0.6
118.04165	8.9
119.04948	96.6
119.08583	7.6
120.05269	0.6
120.08122	3.8
121.02868	2.1
121.06519	4.0
121.10165	4.1
122.03667	0.8
123.04418	1.0
123.08079	8.3
123.08927	0.6
123.11710	1.5
125.09681	0.6
128.06235	0.8
129.03375	1.8
129.04427	1.1
131.04926	1.3
131.08582	1.9
132.02090	8.3
133.02844	2.0
133.06473	2.3
133.10112	3.7
134.03610	0.5
135.04425	3.6
135.08069	1.6
136.05196	3.4
137.05988	1.4
137.09615	2.6
137.13210	0.5
143.08566	1.4
145.02855	2.2
145.10162	1.7
146.03638	9.7
147.04413	73.5
147.08049	2.3
147.11703	6.1
149.02351	10.3
149.06007	0.9
149.09619	10.1
150.03113	1.4
151.07599	3.1
151.11169	1.6
156.09349	1.2
156.61957	0.5
157.03986	8.3
159.08086	0.7
161.05983	1.7
161.09677	2.9
161.13222	3.8
162.03119	1.6
163.03883	1.8
163.11191	3.9
164.04707	5.4
165.05498	1.5
165.09106	1.8
165.12801	2.3
171.11699	1.6
174.03125	8.6
175.03914	90.2
176.04353	1.2
177.01889	1.5
177.05508	0.5
179.07050	9.6
189.09085	4.9
189.12758	5.6
189.16394	2.2
192.02417	0.9
192.04175	20.0
207.06532	48.1
207.10129	1.9
207.13823	15.0
207.15546	0.7
207.17531	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02374	0.6
53.00327	0.6
53.03942	1.4
55.01879	2.0
55.05512	3.3
57.03429	0.8
57.07077	1.2
59.05022	0.6
65.03941	8.5
67.05505	10.3
69.03424	3.2
69.07075	3.0
69.75742	1.2
69.76159	2.7
70.87338	0.6
71.04997	1.0
76.03156	1.2
77.03906	3.0
79.05499	5.0
81.03432	1.5
81.07056	5.0
83.04980	1.8
83.08633	1.4
85.02896	0.7
85.06551	2.8
89.03916	4.8
90.04702	2.0
90.05558	0.7
91.05483	100.0
93.07050	8.4
95.05000	3.7
95.08610	25.1
97.06512	1.1
98.09691	3.0
103.05480	2.2
104.02618	0.7
105.03396	2.1
105.07034	10.9
107.04965	2.5
107.08600	7.6
108.05723	1.3
109.06525	3.3
109.10165	3.3
111.08094	1.4
113.06023	1.1
115.05386	0.7
117.03396	1.3
117.07043	1.5
118.04164	8.2
119.04945	88.1
119.08579	19.4
120.05276	1.1
121.02859	2.6
121.06528	2.3
121.10146	6.7
122.03669	1.4
123.04464	0.8
123.08083	16.8
123.11730	3.1
124.11259	1.5
125.09605	1.2
129.03377	2.2
129.04410	0.6
129.07011	1.0
131.04884	0.8
131.08574	2.7
132.02078	6.5
133.02818	1.3
133.06526	2.6
133.10138	8.2
134.03641	1.4
135.04420	2.8
135.08028	1.2
135.11661	2.6
136.05235	3.3
137.05934	0.8
137.09610	3.7
143.08563	1.6
145.02863	1.8
145.10150	1.2
146.03642	6.5
147.04414	68.6
147.08104	3.3
147.11693	10.1
148.04953	0.8
149.02354	9.5
149.09622	28.1
150.03093	1.7
151.07555	2.3
156.09372	1.8
157.03976	8.8
159.08138	0.8
160.01613	1.1
161.05978	2.2
161.09644	2.5
161.13243	18.9
162.03171	1.4
163.03918	2.0
163.11189	4.6
164.04684	5.5
165.09079	0.7
165.12823	3.8
170.63486	1.0
171.11702	3.2
174.03136	7.6
174.10402	1.8
175.03912	79.2
177.01848	2.0
179.07037	7.1
179.10724	0.9
179.14363	1.4
189.09140	2.0
189.12759	20.3
192.04184	24.4
207.06526	49.7
207.10080	2.0
207.13821	27.0
207.15550	1.1
207.17737	1.1
208.06862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0588
Annotation	CHEBI:80544
Peak:m/z	Relative Intensity
65.03944	0.3
71.03068	0.5
71.99104	11.4
79.05485	0.4
90.04684	0.5
91.05484	4.2
95.04911	0.4
103.05479	2.9
117.05762	8.2
118.04156	0.4
118.06542	2.3
119.04954	3.8
119.08579	0.4
128.04910	0.3
129.05814	0.3
130.06529	100.0
131.07243	1.1
143.07295	0.6
145.07599	0.4
146.03593	0.3
146.05997	0.5
147.02609	0.4
147.04440	3.3
148.02150	0.9
148.07584	0.7
149.02991	2.8
155.06064	2.2
156.06816	4.9
157.07642	0.5
160.02194	0.3
161.05984	0.4
161.09613	0.3
162.03740	5.9
172.02153	0.4
173.02960	14.2
173.07126	0.7
174.03740	24.4
175.03915	4.4
176.86127	0.2
179.07057	0.5
181.13890	0.3
189.04832	1.9
189.09148	0.4
190.05602	5.0
192.04176	1.0
207.05942	5.1
207.10187	0.5
207.13841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48116	3.8
71.48438	3.1
80.71510	2.7
94.93019	43.4
107.16059	3.1
153.54477	3.4
207.01428	100.0
208.70107	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	206.1176
Annotation	Bellendine
Peak:m/z	Relative Intensity
53.03949	0.3
55.01872	0.3
55.05503	0.3
57.07069	0.2
60.04530	0.6
65.03933	0.5
66.15306	0.2
67.05512	0.3
69.29975	1.3
69.30404	0.7
70.06610	0.5
72.08183	0.3
73.02927	0.3
77.96362	0.2
79.05494	0.8
80.05038	0.3
81.03423	0.3
81.07077	0.3
84.08141	0.7
85.46805	0.2
86.09721	0.4
91.05486	3.7
92.04990	0.5
92.05815	1.0
93.05802	0.4
93.07043	3.0
94.04691	0.2
94.07376	2.7
95.04974	0.5
96.05295	0.3
103.05463	0.5
105.07043	0.7
106.06514	0.3
107.08594	0.5
108.04525	0.2
109.06530	0.3
110.07168	0.3
115.05435	0.4
116.05312	0.6
117.07005	1.4
118.06548	9.6
119.04956	1.4
119.07330	6.4
119.08603	0.5
120.08131	1.4
121.06521	3.4
122.06019	0.3
122.06831	5.4
130.06573	0.4
132.08090	2.3
133.08890	0.8
134.09657	34.3
135.09941	0.3
144.08084	0.7
145.08853	0.3
146.05965	0.4
146.09610	0.6
147.04410	1.5
147.06334	0.2
149.02342	0.9
150.02701	1.2
160.07610	0.5
160.11206	2.5
161.12010	1.8
162.05495	0.2
162.09158	0.2
174.87894	0.2
175.03880	1.2
178.03455	0.2
178.04985	0.9
178.08517	0.3
188.07043	0.6
190.04956	0.4
190.08629	6.9
191.09428	3.2
191.14267	0.8
192.04192	0.4
201.00644	0.3
206.04419	0.9
206.11761	100.0
207.06520	0.8
207.12086	1.3
207.13754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0449
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
54.39141	0.2
56.96569	0.6
57.07067	0.3
60.04516	0.4
70.09407	0.5
70.09814	0.9
72.08173	0.4
76.80356	0.3
77.03889	0.3
81.03416	0.5
84.08137	0.6
88.02179	0.3
91.05486	0.6
98.21184	0.6
104.05004	0.7
108.04486	0.6
110.07151	0.4
116.05279	0.5
118.06536	0.4
119.04879	0.4
119.06872	0.7
120.08060	0.3
128.02287	0.3
129.10201	0.3
130.28537	0.3
132.04449	26.9
132.08084	0.5
136.07571	1.2
145.08463	0.3
146.05997	0.5
147.06345	1.4
149.02286	0.6
150.02660	1.1
150.05472	0.3
160.04042	0.5
162.06743	0.3
178.04990	100.0
179.05327	0.6
180.05478	0.4
189.07401	1.6
191.14235	0.6
201.00723	0.7
206.04480	51.8
207.04747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.49935	1.5
55.01874	3.3
55.05509	14.6
56.05334	1.3
56.05846	4.3
56.96551	2.0
57.03438	1.8
57.07077	17.1
58.00595	1.4
58.99590	11.9
59.99921	3.8
60.04523	21.2
61.01159	2.4
61.04853	5.7
65.03938	6.4
65.64017	1.5
67.05515	7.9
69.03432	11.6
69.07053	2.6
69.30000	9.4
69.30424	4.8
69.40518	1.7
71.06129	1.5
72.08161	2.2
73.01146	2.6
75.34456	1.4
76.02249	3.6
78.95290	2.5
79.05508	9.8
80.05027	1.7
81.03416	3.5
81.07059	20.9
82.07388	9.5
82.74782	1.8
83.04980	13.7
84.04508	3.3
84.08155	2.8
85.02911	6.8
86.99070	5.9
87.99411	2.4
91.05484	17.1
93.03423	2.7
93.07043	22.2
95.04964	5.6
95.08602	14.5
96.83381	1.6
97.02898	6.7
97.06512	1.7
98.21532	3.4
100.11265	10.5
101.11596	14.2
102.02099	2.0
103.05453	2.4
105.00079	2.3
105.07029	26.2
107.04972	3.7
107.08583	19.6
109.02905	2.1
109.06537	5.0
109.10246	1.9
111.04478	3.6
115.05470	5.4
116.05357	2.5
116.06202	3.5
117.07003	12.8
118.06561	11.1
119.08580	20.1
119.09351	2.0
120.08112	5.7
121.02888	14.5
121.03996	3.2
121.06506	30.8
121.10149	15.7
123.08076	9.4
127.05875	3.0
128.06233	4.0
128.07088	2.4
129.07001	17.0
130.07809	6.2
131.04951	4.0
131.08562	16.0
132.08119	3.1
133.10139	10.5
135.04466	1.9
135.08038	9.7
135.11676	11.6
136.08884	3.5
143.08623	4.5
144.08127	6.5
144.09377	25.8
145.06526	7.0
145.10123	24.0
146.06035	19.5
146.07181	1.7
147.08075	5.0
147.11710	3.5
149.02348	100.0
149.06033	4.1
149.09628	9.2
149.13248	4.6
154.07805	3.5
157.06508	4.0
157.10179	2.0
158.00966	1.7
158.07300	3.2
158.96379	2.3
159.04430	2.3
159.08081	8.0
159.10378	6.5
159.11684	78.4
161.06062	2.8
161.09621	24.6
161.13292	3.0
162.10378	2.0
163.03946	2.6
163.07605	3.9
163.11183	60.2
163.96921	1.9
167.03404	2.0
169.10181	5.8
170.06038	1.7
172.08836	28.6
173.06065	2.0
175.07544	3.3
175.25713	1.5
177.12756	46.2
181.97919	4.4
187.03862	2.0
187.07637	3.5
187.11172	82.1
187.14807	2.8
188.07088	13.3
188.08302	10.6
190.09901	2.6
195.52573	1.5
205.04985	5.4
205.06683	4.9
205.08995	8.9
205.10764	2.7
205.12318	49.3
205.14148	7.2
205.15965	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	204.1419
Annotation	Pebulate
Peak:m/z	Relative Intensity
56.05025	2.2
57.03421	1.4
57.07081	71.0
59.93083	1.3
59.98830	2.1
59.99115	28.5
60.04530	71.5
65.03934	3.8
68.05020	4.6
71.57907	1.5
72.04520	1.3
74.99054	5.7
79.05444	1.1
81.03400	1.5
81.07083	1.8
83.01327	1.4
84.04508	25.3
85.02914	7.4
88.11272	7.7
92.01692	5.6
96.04504	8.3
97.02897	10.9
98.06074	3.4
99.01137	2.2
99.04446	2.3
105.07028	1.3
110.06054	2.3
114.05545	8.3
115.03819	1.2
116.05328	49.7
117.05610	1.5
121.02872	6.3
121.03970	1.4
121.10139	2.1
126.05527	30.7
138.05502	1.9
140.04958	1.9
144.06566	5.0
144.17476	5.4
145.04973	1.8
148.07916	55.3
149.02350	53.5
151.55893	1.5
168.06529	3.6
171.01480	2.1
172.01437	2.8
172.11559	14.2
186.07628	3.6
188.10710	3.6
189.11510	4.4
204.06763	1.8
204.08719	17.7
204.14096	100.0
205.14494	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43219	0.5
55.01870	1.8
55.05505	1.1
56.05029	0.7
56.96567	19.0
57.03429	1.1
57.07064	1.9
58.06626	0.4
58.99864	0.9
60.04530	3.0
60.05638	1.2
60.95826	0.6
61.01149	0.5
61.02934	2.4
61.04851	0.6
63.92942	5.3
65.03951	0.7
68.00270	0.6
68.05021	0.9
68.99773	0.7
69.03431	2.9
69.56140	1.3
69.56564	2.3
70.06586	3.8
70.98122	6.6
71.04977	0.6
71.95278	0.8
72.08150	2.5
72.66055	0.5
73.02894	1.5
74.97604	1.0
78.95277	14.1
80.24625	0.4
81.03426	0.5
81.07083	0.6
81.93964	1.5
82.01439	2.8
84.04504	0.8
84.08147	3.1
85.02896	2.2
85.08471	1.2
86.09716	2.9
87.10023	0.8
88.99167	3.0
91.05485	1.0
93.07050	1.1
94.99833	1.1
96.04498	0.6
96.96310	1.7
97.02884	1.4
98.97590	12.3
100.02486	7.8
100.99138	1.1
101.00866	1.0
101.02444	0.5
102.92619	0.9
103.00634	1.2
103.05478	0.8
104.47800	0.5
104.90784	0.6
105.00284	2.4
105.04505	1.2
105.07033	1.1
107.00183	1.0
107.04951	0.7
110.07182	1.6
112.01065	0.6
112.08673	0.8
113.00855	9.1
114.00755	1.2
115.02403	0.6
116.07069	1.5
116.98638	7.7
117.00243	1.1
117.01851	2.5
118.01018	1.5
118.03545	3.4
118.08620	0.9
119.00170	1.5
119.01912	8.1
119.08572	1.0
119.97897	18.0
120.01987	0.6
120.08114	2.4
121.01674	5.7
121.02892	1.1
121.06551	0.7
122.94218	8.9
123.02094	0.8
126.00787	2.3
127.01564	4.0
127.03948	0.8
128.24200	0.5
128.98628	2.0
129.10228	0.7
129.93974	1.3
130.99982	2.7
131.01907	78.9
131.08669	0.6
132.02029	0.7
133.01590	2.8
133.03462	1.5
134.99672	4.0
135.01202	0.8
135.03166	1.0
136.02405	3.9
136.06209	2.9
137.01248	0.6
137.02950	2.5
139.02713	2.5
140.00522	3.7
140.95250	6.6
142.03506	1.1
144.98045	0.9
145.01633	1.4
145.03462	1.3
145.06500	0.7
146.99632	6.1
147.01338	0.9
147.03185	0.5
147.95036	1.5
149.03035	37.2
154.00235	3.7
154.03499	100.0
154.94128	0.6
155.03622	0.9
156.01793	2.5
157.02541	1.3
158.01273	1.0
158.09230	0.9
158.96309	10.3
158.99660	0.9
159.01396	1.1
159.03236	1.0
159.05006	0.9
161.01083	0.7
161.02946	1.3
161.09604	2.5
162.97354	2.4
162.99120	0.6
163.00636	0.7
163.02716	3.4
163.11203	0.7
163.96852	17.0
165.00713	8.6
165.96091	0.8
168.05087	1.5
172.04556	43.8
172.97580	1.1
174.99194	0.8
175.11862	1.7
177.00716	0.9
177.02528	1.0
177.05075	2.3
180.98418	2.7
181.00029	0.9
181.03770	1.5
181.97884	21.1
182.03008	4.0
182.06612	0.8
183.01669	0.7
186.06125	0.7
187.02451	0.6
189.00833	0.6
189.02501	0.7
189.12714	0.6
190.98674	2.9
193.03860	1.5
195.99637	0.6
199.01135	0.7
200.04015	7.6
200.07733	1.0
201.00755	0.6
201.12909	0.6
205.00096	1.7
205.03584	2.6
205.05908	0.7
205.08864	1.1
205.12212	1.8
205.15771	0.7
208.99744	0.8
211.52261	0.6
214.96199	0.7
218.05098	2.5
223.01216	1.3
223.04626	2.2
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
53.03941	1.9
55.05513	9.1
56.05038	17.1
57.98787	1.0
58.99587	35.1
61.01136	1.0
62.48626	0.8
68.05021	1.3
69.86552	4.2
74.00664	2.1
76.02246	5.9
79.05495	31.7
79.05959	1.6
80.05039	1.2
80.59627	0.6
81.06579	1.3
81.07060	23.0
82.06586	10.7
85.01131	100.0
86.00655	16.1
86.99057	18.6
88.02217	2.8
88.03988	3.0
92.25333	0.7
94.06564	0.9
95.04973	1.2
96.08131	1.8
97.08912	8.0
98.09698	31.3
98.20749	1.2
98.21336	1.6
104.43045	0.7
105.00086	8.2
105.19581	0.8
110.09679	2.3
113.04234	43.0
120.01176	1.3
122.09675	2.7
131.01694	1.1
132.01154	15.1
134.65344	0.7
137.29396	0.8
139.05774	2.1
156.08461	6.8
159.04797	1.2
185.06319	5.0
202.08963	13.2
202.10800	0.8
218.43936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85591	0.8
62.59079	0.7
69.17835	0.7
70.65681	2.2
72.29314	0.7
98.21127	1.5
99.52778	0.8
101.00866	1.5
103.38571	0.7
117.66348	0.8
119.01892	2.2
132.85762	0.8
143.01895	1.4
161.02995	4.6
203.05270	100.0
217.25620	0.7
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
53.03928	2.8
55.01859	5.8
55.05265	2.2
55.05513	32.2
56.05025	2.6
57.07067	4.8
57.98799	1.8
58.99286	1.7
58.99590	62.4
60.04528	100.0
61.01153	6.5
68.05016	4.8
69.03426	2.9
69.07059	5.5
70.06589	3.3
70.77321	1.4
70.83646	3.0
73.01144	19.6
73.38474	1.1
74.00662	4.4
75.51284	1.2
76.02225	15.5
79.05485	8.9
81.07059	59.2
83.04977	1.6
83.08618	11.3
84.04504	8.7
84.08119	1.9
85.01126	4.8
85.02916	7.6
86.99062	36.8
87.02692	4.3
88.02203	4.6
88.03985	3.9
95.04944	1.3
95.08641	1.9
96.04478	4.8
97.02897	6.7
98.06038	2.0
98.09664	1.8
98.21265	2.2
99.02673	4.0
99.04449	2.6
100.11260	91.4
101.01735	20.5
101.45658	1.3
105.00098	16.3
105.07021	2.9
107.08565	1.7
112.11230	2.0
114.05550	5.5
115.05816	18.3
116.05321	8.3
117.05503	1.4
120.01151	1.9
120.08949	1.2
121.06546	2.0
126.05534	11.3
129.07048	1.7
141.07307	7.6
144.06575	2.9
145.05006	1.5
145.10164	1.9
149.02359	5.9
158.06078	1.7
158.09995	35.8
158.54231	1.3
159.11716	3.2
163.11223	2.2
177.12762	1.7
186.07555	1.9
187.07889	72.6
188.10693	3.2
189.11508	5.3
204.04489	2.4
204.07056	2.2
204.08675	11.5
204.10545	34.3
204.13795	25.3
204.19623	3.1
205.12242	1.9
216.00957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03929	1.6
55.05513	3.8
56.96564	0.8
57.03423	0.7
57.07056	2.5
58.23755	0.7
65.03937	1.0
67.05506	9.7
69.03423	0.8
69.07063	3.6
69.82925	3.6
70.06583	1.3
71.08637	1.1
74.93797	0.6
76.26876	0.7
79.05495	8.7
81.03409	0.9
81.07056	22.6
83.08599	1.2
88.07669	0.9
91.05479	12.5
93.07043	18.8
95.04951	1.9
95.08604	17.6
98.21598	0.8
103.77293	0.7
105.07031	29.4
107.08594	21.7
109.06547	1.6
109.10152	7.4
110.29067	0.6
114.95621	0.8
115.05444	2.3
116.06240	1.3
117.07017	13.2
118.96739	4.9
119.08576	23.4
121.10148	11.6
128.06259	0.9
129.07002	4.2
130.07793	5.8
131.08563	38.7
133.10123	9.4
133.99101	1.1
141.07010	1.1
142.06560	1.3
143.07291	3.8
143.08546	6.3
144.09346	5.1
145.06444	2.4
145.10121	87.5
146.10899	4.0
147.11714	1.3
154.96469	1.5
155.08551	1.2
157.10149	5.8
158.03662	1.2
158.10938	5.2
159.08102	5.7
159.11690	54.4
160.12253	1.1
170.02763	1.3
171.11670	1.2
173.05997	1.7
173.09740	1.6
173.13269	27.6
177.98088	3.4
183.08029	1.1
183.11673	0.9
186.14063	1.7
199.14876	1.0
201.05441	4.7
201.07365	1.0
201.09062	4.1
201.12822	9.8
201.16382	100.0
202.05125	0.8
202.16714	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05505	1.4
57.07064	1.9
59.93089	1.3
67.05486	3.7
69.07063	5.9
71.58716	1.4
79.05482	4.3
79.54594	1.1
81.07056	9.2
83.08633	1.8
91.05487	7.3
93.07035	4.4
95.08613	9.4
105.07026	12.0
107.08585	6.8
108.49196	0.8
108.71247	1.0
109.10108	3.0
115.05453	1.2
117.07030	7.8
118.96760	4.0
119.08573	13.2
121.10161	4.3
121.67368	1.0
129.07013	2.7
130.07747	3.7
131.08572	21.6
133.10129	8.9
133.99091	1.2
142.07796	1.0
142.43092	0.9
143.08549	5.3
144.09351	4.5
145.10120	50.8
146.10709	1.4
147.11713	1.9
154.52325	0.8
154.96486	1.6
157.10143	6.9
158.10921	4.6
159.11697	48.7
161.13252	1.0
171.11665	7.6
172.12445	3.4
173.13261	13.1
177.98047	3.7
186.14093	7.0
201.12666	3.2
201.16383	100.0
202.16679	1.9
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
55.01865	1.0
56.05022	0.6
56.96566	4.0
58.74228	0.6
60.79593	0.5
69.91253	0.5
69.91538	2.7
70.06574	1.0
72.08154	0.5
81.07095	0.5
82.99866	1.6
84.04507	0.6
84.08146	2.2
84.96030	1.2
86.09686	1.2
97.59177	0.5
98.21410	0.9
98.97585	5.8
99.97897	0.6
101.00881	24.4
102.00982	0.8
107.87482	0.5
113.00861	4.0
116.98618	3.4
117.98997	0.7
118.96774	1.2
119.01923	100.0
120.02019	1.8
121.01659	0.7
131.01909	25.0
132.02022	2.4
133.03493	2.6
134.99640	1.5
137.02960	32.8
142.03528	1.8
145.03459	4.2
149.02969	11.1
155.01900	1.0
155.03670	1.4
158.99683	2.2
160.04605	0.6
163.04509	1.6
173.02971	12.6
173.04486	1.2
177.00743	2.5
177.02446	1.9
177.98059	0.7
178.02599	1.6
183.01402	1.2
183.03114	1.1
191.04001	12.5
191.05772	0.7
195.03566	0.7
201.02457	45.9
201.04141	2.7
202.02602	1.2
215.04063	0.5
219.03516	52.0
220.03641	1.3
224.04041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88851	1.2
55.01861	5.8
55.05503	2.9
56.05032	1.6
56.96324	2.2
56.96565	24.1
57.03436	14.7
61.02933	13.0
62.98272	2.1
67.14577	1.4
69.03434	17.6
70.06602	9.8
71.01330	1.4
71.04987	1.8
71.43330	2.1
71.95277	2.4
72.08156	22.2
72.19937	1.4
73.02920	35.1
76.85532	1.6
81.01043	1.7
81.03413	6.2
83.00775	3.0
83.04966	3.0
84.04491	2.0
84.96020	2.7
85.02906	30.6
86.06067	2.9
87.04454	5.5
89.00771	3.1
90.01522	1.9
92.01299	2.8
96.01569	2.2
97.02906	22.2
97.06520	3.3
98.01307	1.9
98.97586	100.0
99.04444	5.4
100.02499	4.6
101.00869	14.4
102.02220	2.5
103.03972	1.8
104.01303	7.2
105.02185	1.4
107.44083	1.3
109.02875	4.5
109.03568	1.4
110.01301	11.8
110.51482	1.3
110.97576	17.3
111.02058	2.8
113.00803	2.6
113.01782	1.4
114.09170	2.2
115.03934	3.1
116.01243	5.2
116.98624	61.4
117.02087	3.9
118.03508	5.6
119.01884	78.2
120.02016	2.0
124.99132	2.1
125.01762	9.6
127.03941	12.6
128.01387	2.3
128.02304	16.9
128.98622	20.0
129.10309	1.6
131.01875	21.3
133.03462	3.4
134.01382	1.4
134.02274	8.2
134.99661	24.6
137.01764	4.8
137.02936	18.3
140.00198	3.2
140.02306	9.4
140.98563	3.8
142.03439	2.9
143.00148	5.1
143.01749	2.5
144.98051	1.6
144.99841	2.1
145.03452	2.4
145.04962	2.6
146.02313	17.9
146.99660	12.6
147.03111	2.7
148.02072	2.4
149.01183	2.0
149.02939	10.4
152.02316	10.0
153.00732	3.3
153.03020	2.3
154.02306	1.6
154.03444	7.4
155.00166	1.9
155.02823	25.0
155.52959	2.1
158.01242	2.9
158.96350	1.4
158.99657	22.0
159.00946	2.3
161.01219	4.8
161.02843	16.7
163.02692	1.7
164.03384	4.1
167.02820	2.2
168.01442	2.0
170.03346	12.4
170.99684	12.9
172.00137	1.4
172.02789	2.2
172.04555	3.6
172.08211	11.2
173.02898	7.4
174.06131	1.9
176.99239	1.1
177.00713	21.3
177.02400	6.8
179.49591	1.5
182.03239	10.6
182.99683	2.6
189.00743	15.5
190.09222	4.0
191.03899	15.0
191.54037	2.0
195.01878	2.4
195.03471	3.1
200.04095	13.7
200.07703	4.9
200.12822	3.4
201.00685	12.4
201.02473	8.8
207.01831	3.0
218.05133	3.9
218.08752	7.9
219.01723	13.4
219.03532	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	200.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25829	1.3
55.01854	2.8
55.05288	1.2
55.05513	9.0
56.05018	2.0
56.96571	14.3
57.03424	5.5
58.99856	11.6
61.02916	4.0
62.02311	1.5
69.03418	5.4
69.78653	7.8
70.06585	10.3
70.98104	1.6
70.99860	8.1
72.08157	59.1
73.01421	2.8
73.02915	9.1
77.00905	16.7
81.03405	2.2
82.01447	9.9
82.06582	1.7
82.99844	1.6
83.04977	8.2
84.04508	4.3
84.08134	3.9
84.96033	1.4
85.02905	7.4
86.06086	2.1
86.99332	2.3
87.01171	1.5
87.04462	1.9
89.00882	6.2
91.02467	13.8
91.94324	1.2
95.01942	9.6
97.02892	4.0
98.20654	1.5
98.97595	16.3
100.02483	45.6
101.00885	12.3
102.00941	1.9
102.02216	9.7
102.05525	1.6
103.02412	2.2
105.00352	5.7
105.02193	5.2
107.01884	2.4
109.03499	8.0
110.01329	3.6
110.02097	1.4
110.97526	2.0
113.01794	2.0
116.98633	16.6
118.03516	35.0
119.01918	100.0
120.02016	7.5
120.03268	8.1
121.01650	3.8
123.01402	2.2
123.03234	5.0
125.01756	1.9
126.09149	2.5
126.98785	13.7
127.03917	3.2
127.30512	1.4
128.00259	1.9
128.02303	1.9
128.98630	3.5
129.10188	2.8
131.01889	12.7
132.02042	1.8
132.05099	2.6
133.01643	4.3
133.03482	10.4
134.03590	2.9
134.99663	9.7
136.04567	4.1
137.02951	49.2
138.03065	1.5
142.03485	10.3
144.99826	83.8
146.00079	1.4
146.01250	4.5
146.03616	1.4
146.04823	1.7
146.99596	3.1
147.01376	4.7
147.03091	1.7
149.01157	4.2
149.02954	7.8
150.00365	7.4
150.03021	1.5
151.04515	3.8
153.00719	2.1
154.03500	4.9
154.07268	1.4
154.08621	4.9
154.09761	1.8
155.02812	6.6
156.05067	2.3
158.01268	3.3
158.99718	3.2
159.01416	11.5
161.01303	1.6
161.02847	4.7
163.00885	15.9
163.02699	3.3
168.01433	87.1
170.03200	1.8
170.08134	1.5
172.02811	7.3
172.04561	4.0
172.08180	24.9
173.02957	1.8
174.04318	1.8
177.00761	8.9
177.02434	88.7
178.02551	2.6
182.02998	10.0
182.09338	2.6
183.08430	2.9
186.02501	12.3
187.00890	2.3
189.00771	2.3
190.09207	11.1
191.04124	3.9
195.01869	1.7
195.03491	26.9
200.04054	67.5
200.07584	12.3
200.09044	2.3
200.12860	3.4
201.00803	3.3
201.02463	3.3
201.04234	2.6
214.05664	2.7
218.05307	7.3
218.06946	1.6
218.08755	22.6
219.01637	2.1
219.03563	2.6
219.07239	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61388	0.5
55.05507	1.1
56.96565	60.7
57.03453	0.6
58.99856	0.6
69.03428	0.8
69.07079	1.1
70.06580	3.1
70.33271	1.5
71.95280	0.5
73.02911	0.9
74.97629	0.8
82.01453	1.9
83.08592	0.7
84.08130	0.7
85.01395	0.8
92.67506	0.5
97.02879	0.6
98.97598	2.4
100.02483	5.5
101.19202	0.6
103.02425	3.3
104.02990	0.5
110.97569	28.0
116.98638	1.0
118.03502	2.5
118.05318	0.5
119.01926	1.2
121.03506	1.7
124.95455	1.0
126.04042	1.0
128.98607	32.2
131.01917	0.9
133.03514	0.6
142.96535	0.9
144.04958	1.5
146.99640	18.3
147.01445	1.5
154.03482	0.7
154.10152	0.5
156.98070	14.0
165.00710	2.0
170.01552	0.9
170.02940	4.3
174.99150	82.5
189.00729	0.7
193.00211	100.0
194.00595	0.9
198.00731	2.4
198.18527	18.6
207.01704	1.4
211.01279	5.7
216.01811	1.8
216.07207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03940	0.8
54.50394	0.7
55.01881	1.4
55.05520	2.0
57.07110	0.8
59.04990	0.9
61.02928	1.0
62.83827	0.6
65.03944	1.0
67.05511	2.8
69.03435	1.9
69.07074	1.7
70.06559	0.7
70.73782	0.7
70.74139	1.6
70.95870	8.6
71.04996	1.3
72.93784	5.0
73.02922	1.2
79.05489	8.2
81.07065	7.0
83.04971	1.0
83.08607	0.9
86.09713	0.7
88.96908	1.6
90.94809	1.2
91.05479	17.0
91.06008	1.3
93.07047	18.5
93.31547	0.7
95.04969	2.7
95.08617	4.6
97.06544	1.6
99.04427	0.7
105.07037	29.5
107.08597	100.0
108.08908	1.0
109.06544	3.5
109.10143	5.2
111.98486	8.4
113.96449	0.8
115.05466	0.6
117.06978	0.9
118.07840	0.7
119.04942	1.7
119.08585	15.9
121.06512	2.7
121.10149	17.8
122.56223	0.8
123.08072	3.2
123.11729	2.8
125.09638	1.5
128.06273	1.1
129.99513	3.9
131.08585	2.5
132.95844	11.7
133.06538	1.0
133.10133	58.2
134.10539	1.1
135.11681	1.8
137.06010	3.3
137.09634	3.4
139.07555	4.2
143.08574	3.4
146.07262	1.4
147.03340	0.7
149.09636	11.1
150.96898	19.5
151.03889	1.0
151.07550	2.4
151.11186	18.6
153.14667	1.4
155.97417	9.1
161.08311	0.8
161.09630	13.9
167.10684	25.6
167.12103	1.5
173.98497	13.1
179.10681	36.5
194.15115	0.7
197.00070	1.2
197.11725	50.2
198.18529	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03946	1.1
55.01859	1.9
55.05500	3.1
59.04987	3.5
59.63169	1.0
67.05503	6.1
69.03445	1.4
69.07060	2.4
70.52037	3.1
70.95865	13.7
71.01360	1.1
72.93788	7.2
72.98869	1.1
79.05500	6.6
80.05845	1.1
81.03431	1.0
81.07065	7.3
83.04958	1.1
84.53264	1.0
88.96911	3.2
90.94798	1.4
91.05476	18.6
93.07042	21.7
95.04971	9.0
95.08620	3.9
99.00787	1.2
101.00890	1.3
103.05469	1.2
105.07034	47.4
106.07345	1.2
107.08596	59.7
109.06504	5.3
109.10166	7.3
111.36578	1.0
111.98477	11.1
112.24706	1.0
113.96384	1.7
117.06982	1.4
119.01920	4.3
119.04956	2.0
119.08575	6.8
121.06509	6.2
123.04420	3.4
123.11695	4.2
129.32986	1.0
129.99489	6.5
131.08551	3.5
132.95833	21.6
133.06473	1.5
133.10130	66.3
135.08075	2.5
135.11694	50.4
137.05943	2.0
137.09589	4.4
141.07005	1.6
143.01859	1.5
143.08559	1.5
146.07259	1.3
150.96892	31.7
151.03903	1.8
151.11194	4.8
152.70189	1.1
155.97446	16.2
161.02946	2.7
161.08284	1.8
161.09618	31.0
173.98491	20.4
179.10670	100.0
197.00175	2.0
197.05923	2.5
197.11739	67.3
198.18497	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03945	0.4
55.01872	2.3
65.03951	1.9
67.05513	2.1
69.97539	0.5
69.97946	0.9
71.01361	0.4
73.02917	18.7
83.68388	0.3
85.02869	0.4
91.05460	2.1
93.03387	0.6
95.04971	1.4
98.20722	0.4
98.21284	0.8
100.25295	0.3
108.02071	2.1
109.02910	0.4
110.03658	2.1
111.04435	1.2
119.04947	1.6
123.04393	0.4
125.05991	14.0
126.24239	0.4
132.95859	0.5
133.97003	0.3
136.01566	0.6
136.05217	0.4
137.05991	0.9
141.05481	3.5
149.05978	2.5
150.96959	0.9
151.03911	100.0
151.05006	8.0
151.07411	3.0
152.04231	0.6
158.54837	0.4
168.88707	0.3
179.07040	18.5
197.08092	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	196.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91665	6.5
55.05478	6.9
56.03302	6.3
56.96565	25.9
57.03429	17.9
61.02914	29.0
68.13868	7.4
68.42661	6.4
70.06599	7.2
70.72703	6.4
71.25552	8.1
71.25887	7.2
73.02917	23.7
85.02905	18.8
87.08396	9.0
94.06568	6.8
97.02879	11.2
100.02486	22.4
101.00895	18.8
113.00867	8.9
113.02413	8.1
115.02390	10.8
116.99264	17.4
118.03527	19.8
119.01923	64.3
128.98627	9.3
129.03978	9.2
131.01913	55.8
132.00327	39.7
133.03464	23.1
137.02884	9.3
143.01863	7.8
145.03499	17.9
146.99695	11.9
149.02942	10.6
155.01913	27.0
161.02950	23.3
172.99260	11.7
173.02940	100.0
173.04300	9.8
182.03004	7.2
184.47247	6.2
185.03004	9.9
190.98685	10.4
191.00374	17.7
191.04005	18.7
196.00618	8.2
196.04581	18.6
196.16943	7.9
196.87837	6.3
202.59296	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	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.43639	0.9
52.56506	0.7
53.03938	3.6
55.01872	2.3
55.05292	0.9
55.05518	10.2
56.96568	1.2
57.03440	37.8
57.07072	1.9
65.03934	1.4
67.05506	27.5
68.96329	1.6
69.03423	1.7
69.07075	7.5
69.86314	5.1
71.01346	0.8
71.04993	3.2
75.04467	0.9
79.05493	20.3
81.03416	10.6
81.04286	0.7
81.07059	37.2
83.04987	6.8
83.06092	0.9
83.08603	2.4
84.08131	1.5
85.06551	10.0
85.35657	0.7
87.04465	1.3
89.03911	5.2
89.06026	2.8
91.05486	15.3
93.07050	35.0
95.04977	12.3
95.08611	31.8
97.06532	7.3
97.10155	0.8
98.20830	1.5
98.21378	1.6
99.08094	3.6
103.05521	1.0
105.07026	7.7
107.04963	2.1
107.08600	14.1
109.06520	3.0
109.10150	2.9
109.98930	1.5
110.07198	1.2
111.04423	1.0
111.08106	4.6
111.09229	0.8
111.36379	0.8
117.03386	10.3
117.07015	6.8
119.08576	4.7
121.01070	1.1
121.06503	5.7
121.10144	9.0
123.08074	100.0
125.06000	1.8
125.09577	1.3
127.17481	0.8
127.99972	0.9
129.07065	0.9
130.96274	1.7
131.08588	7.2
131.96210	0.9
133.10141	8.0
134.03624	0.9
135.04419	2.3
135.08072	7.1
135.11710	13.1
137.09596	1.2
138.06619	7.7
139.11182	3.6
145.02843	13.6
148.97337	4.0
149.06006	5.5
149.08034	0.9
149.09579	2.5
149.13248	6.4
149.97194	1.9
151.11113	1.3
153.97896	1.2
159.11703	7.0
163.03937	3.7
165.06993	3.0
167.08562	2.9
170.18454	0.8
171.99001	2.5
177.05469	17.6
177.12755	9.9
179.08618	1.0
180.09311	1.5
195.01086	4.2
195.02901	6.5
195.04520	1.1
195.06517	3.4
195.08717	10.4
195.10193	0.8
195.11726	4.7
195.13812	12.4
195.15396	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02382	1.3
51.99541	1.1
53.03934	4.4
55.01861	3.0
55.05516	17.9
57.03427	4.2
57.07063	2.4
65.03927	1.4
67.05507	73.7
69.03416	2.0
69.07069	20.3
70.83572	3.3
71.01357	2.6
71.05002	6.5
73.02899	1.1
79.05497	43.5
81.03422	13.4
81.07059	100.0
82.07386	1.2
83.04990	10.4
83.08633	12.6
85.06560	6.1
89.03893	1.7
91.05483	45.5
93.07047	68.6
95.04977	7.4
95.08607	37.1
97.06535	13.4
98.20978	1.4
105.04543	1.6
105.06368	1.6
105.07030	16.2
107.04938	3.4
107.08597	28.4
109.06524	4.0
109.10150	3.7
111.08092	4.6
115.05479	1.2
117.03371	3.7
117.07017	14.1
119.08573	3.5
121.06493	5.4
121.10143	10.4
123.08079	1.5
123.11714	2.5
131.08578	14.9
133.10147	31.0
135.08110	7.0
135.11702	37.7
138.06639	2.2
140.41510	1.3
145.02863	5.8
149.09593	2.2
149.13289	20.0
151.11214	3.0
159.11688	15.7
163.03918	2.7
177.05496	6.3
177.12753	13.0
187.42238	1.2
195.02959	1.7
195.08751	1.2
195.11955	1.7
195.13792	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03950	6.0
55.01868	5.4
55.05511	20.2
56.96560	3.6
57.03437	7.9
57.07066	2.0
65.03920	2.1
67.05505	67.5
69.03425	4.3
69.07070	21.0
69.74583	1.2
71.01346	2.0
71.04992	8.3
71.58187	1.2
73.02899	1.8
79.05494	46.4
80.05029	1.3
81.02975	2.3
81.03419	29.7
81.07056	100.0
83.04987	21.6
83.08611	10.7
84.04526	1.2
85.02908	5.0
85.06542	3.9
85.13135	1.3
87.04455	2.6
89.03909	4.8
89.06027	5.4
91.05486	34.4
92.05777	1.3
93.07044	72.6
95.04997	8.8
95.08607	42.4
97.06533	16.5
97.10133	2.2
99.08095	2.3
105.07047	13.5
107.04945	2.6
107.08601	30.9
109.06519	5.4
109.10151	5.1
109.98943	1.8
110.07162	2.2
111.08101	6.0
113.09688	1.9
117.03367	9.0
117.07008	14.8
119.08598	5.4
121.06496	13.6
121.10146	10.4
123.08090	1.4
123.11692	1.3
125.09635	1.8
131.08572	16.2
133.10124	21.2
134.03661	1.8
135.04445	2.4
135.08063	5.4
135.11682	31.0
138.06653	7.8
144.09277	1.4
145.02853	17.7
147.55858	1.5
148.97322	3.1
149.01115	1.2
149.05980	3.6
149.09607	3.6
149.13271	19.4
149.97202	2.7
151.11200	2.3
153.97906	1.8
159.11700	21.8
163.03923	4.3
165.07005	3.4
171.98964	3.4
177.01854	1.8
177.04025	2.0
177.05490	23.5
177.12747	13.1
180.09343	3.8
195.01224	2.4
195.02869	12.1
195.06537	3.0
195.08702	11.4
195.11681	8.0
195.13818	20.3
195.15691	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03947	6.8
55.01864	4.1
55.05257	2.0
55.05512	22.4
56.96555	4.1
57.03439	8.4
57.07051	3.3
59.79661	1.3
65.03936	3.0
67.05508	79.7
68.84411	1.6
69.03438	2.1
69.07074	19.7
69.57047	5.9
69.57474	3.9
71.01353	2.6
71.04984	8.5
79.05499	61.4
81.03423	29.8
81.07061	100.0
83.04983	30.7
83.08632	12.6
83.67596	1.5
85.02875	1.9
85.06528	4.1
89.03915	2.9
89.06046	3.4
91.05484	45.7
93.07049	76.6
93.15533	1.6
95.04979	12.4
95.08607	46.0
97.06530	19.1
97.10177	1.8
98.21169	6.0
99.08087	1.8
103.05447	1.8
105.07040	16.3
107.04945	2.5
107.08595	29.0
109.06499	5.4
109.10149	5.8
111.08076	6.2
117.03375	7.8
117.07019	19.9
119.08578	4.1
120.93774	1.3
121.06499	12.9
121.10143	12.2
123.08048	3.1
131.08565	17.1
133.10139	22.9
135.08069	5.8
135.11691	31.1
138.06609	3.1
139.07492	2.5
145.02835	13.6
148.97339	1.4
149.05971	5.1
149.09625	3.5
149.13264	20.5
149.97173	1.9
154.92923	1.4
159.11702	23.9
163.03969	3.5
177.05481	19.3
177.12764	13.2
180.09312	2.4
184.39211	1.4
195.02861	8.2
195.06482	2.7
195.08931	8.3
195.11884	3.2
195.13791	28.4
195.15556	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.18507	1.3
51.02377	1.3
53.03937	5.0
55.01870	2.6
55.05508	12.6
57.03437	4.2
57.07089	1.7
62.34345	1.6
65.03931	2.7
67.05511	60.2
67.05875	3.5
68.96339	1.7
69.03433	2.0
69.04567	1.8
69.07070	15.8
70.77177	2.3
70.77541	4.2
71.01358	4.1
71.04993	5.6
79.05497	38.0
80.05808	2.2
81.03414	10.4
81.07063	100.0
83.04986	13.5
83.08618	11.5
85.02867	1.6
85.06549	4.8
89.03938	8.0
89.06046	4.1
91.05486	28.1
93.06462	3.4
93.07053	61.8
95.04998	11.2
95.08614	42.6
97.06543	15.8
97.10117	1.6
99.08089	4.4
105.07041	12.1
107.04947	3.8
107.08597	27.9
109.06513	4.5
109.10145	5.7
109.98949	2.0
110.07160	3.2
111.04461	2.3
111.08096	8.8
117.03383	12.0
117.07011	11.0
119.08620	3.5
121.06522	7.7
121.10137	9.9
123.08089	4.2
123.11699	1.6
125.09656	1.5
130.96297	4.5
131.08562	14.9
131.96173	2.8
133.10146	17.3
134.03656	2.5
135.04436	4.5
135.08070	5.7
135.11703	37.3
135.12709	2.8
138.06630	18.8
139.07562	1.7
140.98218	1.7
144.09465	1.7
145.02852	24.4
148.97356	9.8
149.05969	7.9
149.09634	5.8
149.13254	26.4
149.97209	4.1
151.11197	1.7
152.06261	2.4
153.97917	4.4
158.55322	1.6
159.11711	22.2
163.03922	7.5
165.07042	5.7
167.08597	3.2
171.98958	4.7
177.05486	32.4
177.12776	19.0
177.16449	2.6
180.09335	4.3
195.01105	5.7
195.02922	16.6
195.06519	5.4
195.08723	21.7
195.10037	0.9
195.11714	8.6
195.13824	22.6
195.15767	5.0
196.16986	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03935	3.4
55.01855	2.5
55.05515	12.2
57.03440	4.2
57.07063	1.9
58.90551	0.8
65.03922	2.7
67.05508	49.7
68.96318	1.5
69.07067	9.8
70.04797	0.8
70.70279	2.1
70.94266	1.0
71.04993	5.2
73.02876	0.9
79.05499	37.2
81.03423	14.0
81.07061	100.0
83.05000	11.7
83.06144	1.3
83.08611	5.3
85.06532	4.4
87.04462	1.6
89.03912	3.6
89.06007	2.6
91.05484	23.8
93.07049	56.0
95.04967	9.0
95.08611	37.9
95.53278	0.8
97.06541	9.2
99.04482	1.2
101.06009	0.9
103.05423	1.3
105.07034	10.0
107.04933	1.8
107.08604	24.6
109.06503	3.4
109.10150	3.4
109.98979	1.2
110.07172	2.0
111.04413	2.1
111.08078	3.8
117.03394	6.9
117.07023	8.4
119.08584	3.8
121.06525	8.2
121.10152	8.0
123.08041	3.4
123.11639	1.3
125.06049	0.9
130.96198	1.9
131.08583	13.1
131.96159	1.5
133.10136	16.2
134.03595	1.3
135.04405	2.3
135.08090	5.0
135.11693	31.9
138.06638	9.8
139.07503	1.3
145.02870	15.1
147.11691	1.3
148.97385	5.8
149.05962	5.9
149.07896	1.1
149.09637	2.6
149.13263	14.9
149.97215	1.6
150.06355	1.0
151.11205	2.5
152.06209	1.2
153.97894	3.0
159.08080	1.0
159.11705	14.9
163.03896	3.7
165.07014	3.5
167.07243	1.1
167.08624	2.8
171.98976	1.9
177.05486	18.2
177.07053	1.3
177.12732	11.9
177.16309	1.8
180.09338	2.5
186.05566	1.2
195.01207	1.0
195.02913	7.3
195.06503	2.5
195.08699	15.3
195.11690	6.1
195.13791	19.0
195.15686	2.8
196.09314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.17254	2.2
51.66984	2.3
53.03945	8.2
55.01880	6.6
55.05515	18.6
57.03427	6.2
57.07076	3.4
65.03932	5.7
67.00198	2.0
67.05166	3.9
67.05511	70.4
68.05813	2.3
68.96329	2.2
69.03432	6.9
69.07068	16.7
69.26562	20.7
70.94225	2.2
71.04993	6.9
79.05057	3.7
79.05498	63.7
79.05963	3.6
81.03410	16.3
81.07061	100.0
83.04981	28.7
83.08621	9.4
84.08108	2.1
85.06552	7.4
89.03911	9.5
89.06033	9.8
91.04958	3.4
91.05483	43.1
91.81724	2.5
93.07047	82.5
94.06565	3.3
95.04964	18.5
95.08611	43.5
97.06532	17.5
98.20720	4.4
98.21401	6.5
99.08109	2.0
105.07041	15.0
107.04974	4.1
107.08603	34.1
109.06541	9.3
109.10175	4.7
111.04418	3.9
111.08101	8.1
117.03387	21.1
117.07029	17.1
119.08592	4.2
121.02904	2.5
121.05779	2.3
121.06473	12.0
121.10159	13.8
123.08075	2.3
130.96307	5.1
131.08563	19.1
131.96190	2.7
133.10147	18.9
134.03670	3.5
135.04408	7.1
135.08064	6.8
135.11705	32.9
138.06619	10.6
139.11311	1.9
145.02852	39.1
148.97385	5.9
149.05995	13.0
149.13277	18.8
149.97215	7.3
151.11067	2.9
153.12805	2.4
153.97893	3.9
159.11682	20.9
163.03902	8.3
165.07008	17.5
167.08629	4.6
171.98997	4.3
177.05475	47.3
177.12775	15.3
177.16278	1.9
179.08612	2.7
180.09351	13.7
195.02913	17.2
195.06516	5.4
195.08699	21.4
195.11699	29.9
195.13821	31.9
195.15695	5.4
195.17537	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03944	3.7
55.01873	4.4
55.05511	13.3
56.96573	1.0
57.03430	2.5
57.07064	3.6
65.03934	2.3
67.05508	45.1
68.96342	2.1
68.99795	51.2
69.03428	4.1
69.07072	15.5
69.51977	5.7
70.94254	1.9
71.01347	2.1
71.04999	6.2
73.02913	1.2
78.04711	0.9
79.05493	33.4
81.03420	13.9
81.07060	79.2
83.04988	13.4
83.08611	9.8
84.08162	5.5
85.02924	1.6
85.06538	3.0
85.10182	17.9
87.04448	1.2
89.03917	8.5
89.06019	2.2
91.05484	28.3
91.06059	1.6
93.03400	1.3
93.07047	51.3
94.06551	1.0
95.04974	8.8
95.08608	30.7
97.06534	11.5
97.10155	1.0
98.21129	3.3
103.05504	1.6
105.04508	1.2
105.07041	11.9
107.04991	4.7
107.08601	34.0
109.06520	6.0
109.10152	4.5
109.98901	1.7
110.07145	1.8
111.04452	4.9
111.05765	0.9
111.08086	6.8
113.06016	2.1
117.03378	16.5
117.07025	11.4
119.08591	2.7
121.01099	2.5
121.02894	1.0
121.06519	7.6
121.10152	10.2
123.08106	1.2
123.11705	1.5
125.05974	1.8
125.09635	33.2
127.07529	0.8
128.00002	1.6
129.07018	1.4
130.96295	2.7
131.08562	13.3
133.10130	17.8
134.03638	2.4
135.04416	3.5
135.08057	16.1
135.11694	26.7
137.05983	1.6
137.09697	0.8
138.06628	7.6
139.07571	1.4
145.02849	28.9
146.84245	0.9
148.97343	5.4
149.00560	3.5
149.02295	0.9
149.05995	8.8
149.07874	1.0
149.09625	7.3
149.13260	14.8
149.97189	2.1
151.11188	3.1
152.06183	1.4
153.09108	100.0
153.97899	2.5
154.09428	1.5
155.07050	2.1
159.08098	1.5
159.11688	12.8
162.03119	1.6
163.03874	3.2
165.07025	1.5
167.07156	1.2
167.08481	1.9
171.98946	3.1
177.05470	36.4
177.09088	4.0
177.12756	11.2
177.16376	1.7
187.05838	0.9
194.00146	1.0
195.01097	9.2
195.02919	8.8
195.06468	3.8
195.08696	11.0
195.10185	16.3
195.11731	3.6
195.13828	17.7
195.15587	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	ferulic acid
Peak:m/z	Relative Intensity
55.01886	0.5
58.86367	0.5
63.02392	0.8
65.03947	0.6
70.64621	0.7
70.64976	1.6
74.49579	0.6
78.04706	0.9
79.05521	1.0
83.99632	0.5
89.03918	25.9
91.05491	2.7
93.03380	0.8
93.07014	0.8
95.04981	0.7
103.05492	1.3
105.46089	0.5
106.04171	2.3
116.12492	0.6
117.03384	50.3
121.06504	1.8
134.03645	8.2
135.04440	7.1
137.18033	0.6
138.06602	0.9
140.78499	0.8
145.02852	83.2
146.03127	1.2
149.05995	21.1
162.03098	2.5
163.03922	8.0
177.05476	100.0
178.05792	0.9
186.05443	1.2
195.02890	0.6
195.06494	1.2
195.08649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	ferulic acid
Peak:m/z	Relative Intensity
53.03944	0.6
63.02384	0.5
65.03943	0.8
70.87753	1.7
78.04721	1.6
79.05493	1.0
84.08131	0.7
89.03924	22.5
89.04478	1.2
91.05485	2.0
93.07055	1.0
95.04971	1.0
103.05476	1.8
106.04185	2.1
107.04983	0.8
117.03388	49.8
121.01122	0.6
121.06541	1.1
124.05204	0.6
134.03645	9.0
135.04431	6.3
138.06647	1.2
140.91470	0.5
145.02852	88.2
146.03102	0.8
147.04382	0.8
149.00598	0.6
149.05986	22.5
155.38675	0.5
158.55525	0.4
162.03076	2.6
163.03900	8.0
177.05478	100.0
178.05821	1.6
186.05534	1.2
195.01102	2.3
195.06488	0.8
195.08800	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	ferulic acid
Peak:m/z	Relative Intensity
53.03950	0.4
55.41873	0.4
57.35897	0.4
63.02385	0.9
70.70477	1.3
78.04713	1.1
79.05491	0.9
89.03921	24.9
91.05495	1.9
93.06990	0.6
98.21230	0.4
103.05472	1.4
106.04185	2.7
107.04988	0.6
111.04425	0.5
111.36556	0.4
114.92140	0.4
117.03384	50.3
121.06533	1.0
124.05264	0.5
125.06017	0.5
134.03633	8.6
135.04425	6.5
145.02852	85.5
146.03151	0.7
149.05984	20.4
153.05464	0.6
162.03133	2.0
163.03902	8.8
177.05475	100.0
178.05795	1.3
186.05495	1.4
195.06564	0.7
200.70140	0.4
207.86813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	ferulic acid
Peak:m/z	Relative Intensity
53.03953	0.5
60.58018	0.4
63.02393	0.5
70.76767	0.8
70.77135	0.8
78.04716	1.2
79.05493	0.8
89.03920	25.0
91.05488	2.3
93.07066	0.7
95.04995	1.1
103.05476	1.1
106.04158	1.3
107.04958	0.5
117.03384	44.8
118.03690	0.5
121.06504	0.9
124.05182	0.5
128.09740	0.4
134.03635	7.4
135.04420	5.6
138.06599	0.6
145.02850	80.8
146.03174	0.8
147.04405	0.4
149.05986	18.9
150.06346	0.4
162.03159	2.6
163.03914	9.6
177.05476	100.0
178.05774	1.0
186.05479	1.2
195.06572	0.7
195.08557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77884	13.6
70.98373	31.4
78.84345	12.4
79.60122	12.6
81.13905	11.9
94.93015	100.0
103.67262	14.0
107.95791	11.7
184.92502	12.3
194.94604	38.7
194.96538	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	194.9669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94929	20.1
60.10086	24.4
69.60583	20.7
69.73074	100.0
98.21512	23.4
101.02570	22.9
191.25058	26.2
194.96667	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66854	7.1
51.88744	7.6
55.01862	24.7
55.05502	13.1
56.96570	46.1
57.03440	20.2
61.02925	14.7
67.05514	11.0
67.80035	7.3
69.03424	27.6
69.82612	46.7
72.20439	8.2
73.02914	85.2
74.97605	9.8
81.03451	17.2
81.07076	10.3
84.04487	13.5
84.08147	100.0
85.02908	25.3
85.06542	21.5
86.09709	24.8
86.36724	8.8
89.03907	9.9
94.93026	65.3
97.02887	35.9
98.21484	11.9
98.97578	19.3
100.02491	23.9
101.00866	14.4
103.02448	12.9
105.02175	9.3
108.56651	8.4
109.06507	11.0
110.97545	8.8
113.00835	10.9
114.04074	9.2
117.03358	11.3
118.03539	12.1
119.01905	63.8
127.03984	7.8
129.02910	15.1
129.10252	30.1
130.08650	14.7
131.00179	10.6
131.01930	49.6
135.04399	33.8
138.03470	10.6
143.01941	15.3
145.02798	9.8
145.03592	9.5
149.01167	31.3
149.02919	14.3
153.05415	10.1
154.03526	12.9
155.01913	27.5
157.03491	18.3
158.03641	7.9
159.04958	11.0
161.02971	22.3
163.03873	83.9
167.01962	9.4
171.01443	20.2
172.02750	32.9
172.04526	8.5
172.08253	17.6
173.02934	40.3
175.04517	8.9
185.02921	34.3
185.06702	8.6
194.94771	12.0
194.96730	33.0
201.02533	8.7
203.04030	21.8
203.07732	9.2
209.61346	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	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
50.92134	1.7
55.05496	8.0
56.80874	1.7
57.07066	3.3
57.23114	1.5
59.04993	2.0
67.05504	10.3
69.07076	22.3
70.21035	7.5
71.04998	15.5
79.05478	6.7
81.07073	17.9
83.04965	2.1
83.08596	3.7
85.06550	12.6
91.05462	6.3
93.07050	21.5
95.04968	36.0
95.08604	19.4
97.06525	2.9
97.10188	10.3
98.20807	2.2
99.08079	5.4
105.07039	12.2
107.08598	33.7
109.06522	100.0
109.10162	13.6
111.08070	7.2
119.08585	28.3
121.10121	9.1
123.08072	4.4
123.11713	23.8
132.12228	2.0
133.10138	25.7
135.11699	32.9
137.09622	15.1
147.11729	4.0
149.02298	2.1
149.13290	9.8
151.11201	4.9
157.96309	1.9
175.14830	41.6
177.10414	1.9
193.04988	2.9
193.12228	2.3
193.15886	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.63129	2.3
55.05516	24.8
55.41718	2.1
57.03421	2.9
57.07066	6.7
59.04982	3.5
67.05182	1.9
67.05508	32.1
69.03432	17.1
69.07072	22.5
70.89843	2.2
70.90189	5.2
71.04977	4.1
71.06456	2.0
79.05476	9.0
81.03438	2.1
81.07052	37.6
83.04983	25.9
83.08607	13.1
85.06541	5.4
86.07898	2.2
91.05482	15.5
93.07037	29.9
95.04944	4.8
95.08608	63.5
97.06483	4.9
105.07034	30.9
107.08600	68.0
109.06520	16.1
109.10159	95.4
110.92575	2.0
111.08086	10.9
117.06988	2.5
119.08584	82.1
121.10153	38.2
123.08074	46.9
123.11697	16.0
125.09549	2.4
133.10127	59.4
135.11696	100.0
137.09616	36.2
138.10393	3.9
145.10153	2.6
147.11691	10.8
149.13254	26.5
151.11168	9.9
151.14795	11.4
151.69102	2.6
165.16400	3.5
175.14835	60.7
193.04933	3.1
193.12204	3.7
193.15875	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	beta-Ionone
Peak:m/z	Relative Intensity
53.03940	2.1
55.01876	1.7
55.05519	6.2
55.78248	0.8
57.03452	2.2
57.07069	3.3
59.04994	1.2
62.67747	1.1
65.03946	2.9
67.05504	12.9
69.03425	2.0
69.07076	10.0
69.50909	7.5
70.06590	2.2
71.04993	1.3
79.05492	9.7
79.81501	0.9
81.03424	9.4
81.07063	11.7
83.04977	3.6
83.08607	4.4
85.06532	1.6
91.05486	22.1
93.07040	15.7
94.06615	0.9
95.04978	8.8
95.08607	24.6
97.06541	2.6
98.21111	3.7
103.05476	1.4
105.07032	27.2
107.04974	1.3
107.08592	13.5
109.06507	4.6
109.10157	23.0
111.04416	1.1
115.05453	2.1
117.07016	4.5
119.08585	73.0
120.09451	1.1
121.06485	0.9
121.10132	7.7
123.04440	2.1
123.08054	5.1
123.11716	1.7
128.96532	0.9
129.07045	3.4
131.08557	5.2
133.02888	2.6
133.06519	5.7
133.10130	83.1
134.10732	1.0
135.04478	1.3
135.08066	1.6
135.11697	20.8
137.06029	1.7
137.09619	8.8
145.10139	5.3
146.97464	2.0
147.08090	5.2
147.11685	26.9
149.02348	7.2
149.09613	3.9
149.13298	7.3
151.07559	1.6
151.11205	3.1
151.14850	5.2
152.07077	1.0
157.10139	1.7
160.12505	3.6
161.05968	3.8
163.07666	1.4
165.05508	1.4
165.12834	1.2
169.98959	1.1
171.97792	0.9
173.13329	1.4
175.07506	2.0
175.11282	7.3
175.14828	100.0
176.15221	1.6
178.02657	2.7
182.46428	1.0
187.72040	1.0
193.04976	10.3
193.06854	2.1
193.08522	5.9
193.10489	1.6
193.12215	8.6
193.15906	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	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.89706	1.2
53.03936	5.8
55.01869	6.2
55.05303	1.2
55.05513	16.8
56.92650	1.1
57.02112	1.5
57.03421	4.6
65.03926	4.9
67.05508	34.9
69.03421	5.0
69.07072	13.1
71.04997	10.1
71.08324	1.2
71.16132	3.1
79.05496	48.3
81.03420	20.5
81.07058	42.8
83.01337	2.5
83.04984	13.2
83.08613	8.5
85.02888	4.4
85.06544	3.5
91.05485	61.0
93.06467	2.0
93.07051	36.4
94.04160	1.6
95.04973	78.4
95.08606	23.2
97.02889	1.2
97.06536	13.7
103.05468	2.5
105.04469	2.1
105.07038	49.2
107.04983	10.6
107.08600	33.6
108.04478	1.4
109.06525	29.9
109.10158	7.5
111.04442	29.9
111.08095	2.5
115.05448	3.4
117.07031	9.7
119.04926	2.3
119.08588	43.7
120.08118	1.5
121.06523	6.7
121.10165	12.1
122.08419	1.5
123.04417	3.8
123.08061	6.4
123.11730	9.8
125.05934	1.8
128.06229	2.0
128.98608	1.4
129.07007	17.6
131.08588	21.1
133.02852	3.9
133.06508	9.1
133.10136	52.8
135.07100	2.4
135.08063	36.0
135.11691	3.6
137.05981	4.2
137.09622	4.5
139.03900	4.4
142.07787	5.6
145.10101	2.3
146.97444	11.0
146.99632	2.9
147.04459	1.8
147.08058	15.7
147.11696	39.3
148.07545	4.4
149.02336	5.5
149.03384	1.6
149.09624	28.3
151.07532	3.5
151.11183	35.2
157.10161	15.2
161.05930	1.5
165.05450	2.6
165.09113	3.7
165.12772	9.9
169.99083	3.9
170.02951	4.2
175.07568	7.0
175.11195	32.8
175.14801	4.3
176.07066	1.5
178.02617	3.7
178.07744	3.4
192.99576	3.0
193.04980	18.8
193.06680	2.5
193.08542	8.3
193.10437	3.7
193.12245	100.0
193.15822	6.7
196.54654	1.4
198.09651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Thymyl acetate
Peak:m/z	Relative Intensity
53.03941	4.1
55.01874	4.9
55.05300	1.0
55.05511	12.5
56.29284	0.9
57.03426	2.8
57.07072	1.0
58.93600	0.9
65.03939	3.4
66.80578	1.0
67.05172	1.8
67.05509	29.6
69.03412	1.8
69.06725	1.1
69.07069	12.6
70.53611	2.1
70.53980	2.1
71.04994	9.0
79.05498	37.0
81.03414	3.6
81.07059	38.2
83.04985	12.8
83.08620	5.7
85.02901	3.1
85.06525	2.8
87.04476	1.5
89.18671	1.0
91.05483	53.2
93.07050	35.3
95.04972	65.2
95.08610	15.9
97.02863	1.5
97.06519	8.6
103.05465	1.2
104.07029	1.0
105.07034	46.0
107.04952	10.8
107.06030	1.0
107.08598	28.2
108.05714	1.4
109.06522	25.0
109.10143	3.2
111.03692	2.2
111.04443	34.6
111.08041	1.3
113.06043	1.2
114.87675	1.0
115.05457	3.5
117.07017	8.5
119.07787	1.9
119.08591	29.7
121.06493	3.1
121.10146	10.1
123.04415	3.4
123.08078	3.7
123.11716	8.8
127.07458	1.1
128.06224	2.6
129.07004	14.1
131.08578	15.2
133.06497	5.9
133.10136	46.1
135.08055	36.0
135.09106	1.2
135.11708	1.5
137.06055	1.2
137.09607	1.6
139.03871	1.8
142.07764	4.4
145.10127	1.2
146.97426	4.4
147.08047	8.4
147.11693	30.4
148.07533	1.9
149.02293	1.7
149.09634	15.1
151.07530	2.0
151.11186	28.0
157.10136	13.7
165.01833	1.0
165.12747	8.9
166.08620	1.3
169.99048	2.1
175.07664	1.5
175.09741	2.0
175.11191	29.8
175.14917	1.9
193.04982	6.3
193.12245	100.0
193.15936	4.7
194.12614	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03935	4.7
55.01857	4.5
55.05515	18.8
56.05854	1.6
56.96558	2.8
57.03419	5.2
57.07056	3.7
59.05007	1.3
61.01134	1.1
65.03922	3.3
67.05507	51.2
69.03419	2.8
69.06711	1.5
69.07068	17.3
69.85213	4.8
71.04694	1.1
71.05001	12.2
77.03898	2.5
77.28043	1.2
79.05498	45.4
81.03407	6.7
81.07061	68.7
82.06565	2.0
83.04981	19.2
83.06895	2.8
83.08624	10.7
84.08149	9.6
85.02898	1.5
85.06552	7.9
85.08475	12.3
87.04485	1.5
91.05486	63.4
92.98288	1.4
93.06467	2.4
93.07051	51.6
95.04974	61.8
95.08611	50.6
95.09232	2.5
97.02905	1.8
97.06535	13.4
99.08081	2.4
100.07615	2.7
101.04227	2.9
101.07913	2.3
102.04577	4.2
105.07036	51.4
107.04965	12.3
107.08598	43.1
107.91574	1.2
109.06522	26.6
109.10171	17.2
111.04449	36.6
111.08092	6.7
115.05468	1.3
116.06202	1.5
117.07043	9.0
119.04899	1.3
119.08587	49.0
121.02822	1.2
121.06526	2.2
121.10147	14.1
121.15112	1.0
123.04449	2.9
123.08074	8.8
123.11715	8.9
125.05960	1.5
125.09631	1.2
128.96324	1.6
129.07002	14.7
131.08569	17.1
133.02821	1.5
133.06473	7.6
133.10132	60.7
135.08055	28.2
135.11664	8.2
137.05983	3.4
137.09668	5.8
137.13295	1.4
139.03894	1.9
142.07762	3.9
144.04710	2.3
145.05116	5.9
145.10126	2.5
146.97430	7.3
147.08035	8.9
147.11699	35.5
148.07567	3.4
149.02350	2.4
149.09634	11.6
149.13298	11.0
151.07541	3.7
151.11192	31.6
151.12346	2.6
157.10107	10.4
165.05563	1.8
165.09134	1.6
165.12784	8.0
169.99062	3.6
175.07527	2.8
175.11215	26.8
175.14828	40.6
178.02634	1.9
193.05025	11.8
193.08582	3.2
193.12251	100.0
193.15891	37.1
193.17671	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	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03956	5.4
55.01873	3.8
55.05519	8.6
57.03449	3.4
65.03933	3.0
67.05507	26.2
67.05872	1.4
69.03429	2.6
69.07066	3.6
70.54076	2.1
71.01385	1.1
71.04996	1.7
79.05493	16.2
79.24146	0.6
81.03419	100.0
81.07059	12.6
83.04979	4.5
83.08621	11.4
91.05489	22.5
93.07048	9.8
95.04971	38.7
95.08614	3.0
97.01113	1.1
97.02889	2.9
97.06535	1.4
97.10163	0.7
103.05450	1.0
105.07029	14.4
107.04958	8.6
107.08597	2.9
109.01110	3.4
109.06526	3.4
109.10181	1.0
111.04467	1.2
111.08102	2.2
115.05479	1.7
117.07056	2.1
119.04983	1.2
119.08584	13.1
120.05686	0.6
120.08067	0.6
121.02861	0.6
121.06520	3.7
121.10150	3.6
123.08089	1.3
128.06274	1.3
129.07008	8.9
131.08571	7.9
133.06514	4.1
133.10135	6.4
137.00510	4.3
137.09637	1.6
142.07813	2.3
145.10115	0.7
146.97429	1.4
147.08072	5.6
147.11703	5.3
148.22932	0.6
149.02451	1.1
149.09624	4.6
157.10118	6.5
165.00066	6.0
165.12782	1.2
175.11191	7.3
183.01030	0.8
186.55643	0.6
192.99527	12.1
193.01114	0.9
193.05051	2.7
193.10362	1.0
193.12253	12.4
193.15971	0.7
194.00024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
56.96567	20.7
57.03423	0.6
57.07063	0.7
65.03944	0.8
66.04707	0.7
67.05501	1.6
69.07056	0.6
71.56960	0.6
71.95257	1.7
74.97620	0.5
75.01556	0.4
79.05476	0.9
81.03405	0.6
81.07054	1.2
83.04943	0.5
83.97609	0.4
84.96034	1.3
87.04468	0.5
91.05471	1.4
93.07024	1.0
94.04186	4.1
95.04943	0.6
95.08615	0.9
96.98386	2.0
97.06525	0.4
105.07043	1.6
107.04936	0.7
107.08617	0.7
108.04474	0.6
109.06496	0.8
109.10136	0.9
114.99438	1.9
119.08593	1.5
120.08012	0.5
122.03651	9.7
122.04468	0.8
123.08039	0.4
123.11717	0.5
133.00485	1.0
133.02849	0.7
133.06525	0.7
133.10120	1.4
135.11708	1.0
137.05980	100.0
138.06325	5.5
143.84836	0.4
146.01257	0.5
146.07368	0.5
146.97441	1.7
147.08086	0.8
147.11641	0.9
148.07578	1.6
148.73996	0.4
149.02332	1.5
151.06281	0.4
159.03403	0.4
166.08675	1.0
172.57996	0.5
175.14853	0.6
181.58562	6.9
182.08679	1.0
190.59050	2.9
193.05005	4.0
193.06752	0.8
193.09438	2.8
193.12297	1.4
193.15977	1.1
193.17725	0.4
194.08075	0.8
194.15332	0.4
197.08574	0.6
202.07335	0.4
208.10217	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1019
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
53.03942	0.4
54.10247	0.3
56.05032	2.8
56.96553	0.4
57.03426	0.3
58.99608	0.3
61.01148	1.7
65.03903	0.5
67.05488	0.5
68.05009	0.6
69.03416	0.4
69.07048	0.5
70.26145	1.1
70.95847	0.9
72.04510	0.4
72.08164	0.4
72.93787	2.5
75.04478	2.3
79.05482	0.7
80.05022	0.5
84.04516	0.3
84.08131	0.8
85.06532	0.4
87.02683	0.5
90.94833	2.4
91.05481	2.0
93.07018	0.4
98.06046	2.3
98.21043	0.6
100.02242	0.4
103.05456	0.4
104.05345	2.7
105.07012	0.8
106.06527	0.5
107.08583	0.6
115.05466	0.5
117.03703	0.8
117.05747	0.7
117.07012	0.8
118.06538	4.1
119.04942	0.5
119.08551	1.1
120.08097	1.0
128.07094	0.4
130.06508	1.3
131.07286	1.0
132.08084	2.8
132.95837	6.7
133.03220	1.4
133.08812	0.9
134.09668	0.5
144.06567	1.5
146.02708	0.4
146.06000	2.9
146.09625	2.5
146.97508	0.4
147.04425	0.4
147.06844	1.7
147.10428	3.5
148.07570	2.0
148.11098	0.5
149.96120	1.6
150.05782	1.1
150.96887	14.3
155.97345	0.4
160.04221	0.8
164.07101	0.5
167.97174	1.3
168.97932	0.6
173.98480	0.6
174.05571	0.8
174.09169	1.2
176.07072	30.8
177.07840	7.3
177.15112	0.4
190.08679	0.4
191.97127	1.9
192.06616	7.7
192.10190	100.0
192.17390	1.6
193.04926	0.9
193.10548	1.1
193.92316	0.3
209.98193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0656
Annotation	5-Hydroxyindoleacetate
Peak:m/z	Relative Intensity
53.03938	1.0
56.96569	5.0
62.99047	0.7
64.50546	0.4
67.05476	0.6
68.05032	0.4
69.03423	0.6
69.07056	1.6
70.06582	0.9
70.07415	0.5
70.95847	0.6
71.01347	1.1
71.22488	0.4
71.22820	0.7
72.08147	0.6
72.93780	2.5
73.02927	0.5
77.03924	0.6
80.05008	0.8
84.08139	2.5
85.02888	0.7
86.06057	0.6
86.09680	0.5
90.94814	1.6
91.05473	3.0
94.06570	22.5
95.04958	1.4
98.09680	0.5
99.00817	10.2
100.02179	0.5
103.05493	0.5
104.04995	17.4
105.07012	0.8
107.04921	0.5
108.95851	0.5
110.06076	0.5
110.07140	1.4
116.10735	3.2
117.01903	0.7
118.06551	7.8
119.05134	0.7
120.04481	2.8
120.05634	0.6
120.08092	1.7
121.04782	0.8
122.06084	1.9
122.06885	0.4
128.04990	1.6
128.07132	0.4
128.98589	0.6
130.06526	0.7
130.08606	1.2
132.04456	16.7
132.06561	0.5
132.08051	0.4
132.95842	6.3
136.06181	1.1
136.07568	3.3
146.06010	100.0
146.09602	1.9
146.99724	0.7
147.06720	2.2
148.07573	3.8
149.96088	1.2
150.01599	0.6
150.05505	15.0
150.96898	14.1
151.09865	0.4
160.04991	0.5
164.07054	2.8
167.97150	1.2
168.97983	1.2
173.98575	0.5
174.05513	19.8
177.07855	1.3
186.99188	1.0
191.97192	1.9
191.98796	0.5
192.02872	0.5
192.06572	15.9
192.08586	1.4
192.10136	3.0
192.13870	1.3
192.17490	2.4
192.19014	0.4
193.05043	0.9
205.00121	0.5
209.98279	0.9
210.00034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0656
Annotation	5-Hydroxyindoleacetate
Peak:m/z	Relative Intensity
50.58781	0.4
57.03434	0.4
66.45830	0.3
70.19225	0.8
72.08130	0.4
82.06573	0.5
85.06561	1.0
86.00104	0.4
89.83263	0.4
91.05485	8.9
91.05998	0.7
92.05011	0.7
92.05806	0.4
95.04976	0.6
104.05023	0.7
105.05787	5.2
106.07344	0.5
108.04500	0.4
114.03799	2.4
116.03353	1.7
116.04966	2.0
117.05764	23.6
118.06545	2.6
119.04942	6.0
120.04433	0.4
120.08148	0.6
121.06516	5.9
122.06042	0.5
128.01660	1.0
128.05330	1.0
132.04475	4.2
133.05235	48.2
134.06038	6.0
134.10443	0.7
143.04010	0.6
144.05539	0.6
145.03615	0.8
145.98979	0.8
146.06017	27.6
147.06805	8.7
148.07578	100.0
149.07953	0.8
159.03079	0.5
160.05051	8.0
161.04749	3.3
162.05548	0.5
164.07019	1.0
174.05511	13.4
177.00801	1.0
177.07791	0.5
192.03069	5.9
192.06537	35.5
192.10219	1.4
192.14601	1.3
192.17360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	1.2
55.01624	0.3
55.01874	4.2
55.05500	1.3
56.96568	0.4
57.03431	0.3
57.07072	0.7
59.04988	0.4
61.61095	0.3
62.50514	0.3
65.03938	0.4
66.33254	0.2
67.05507	1.5
67.45513	0.3
69.03404	0.7
69.07069	18.7
70.28101	0.8
71.05007	0.3
77.03887	0.3
78.13319	0.3
79.05500	2.2
81.07064	1.7
83.04979	1.6
83.08610	0.6
89.03940	0.5
91.05475	5.3
91.06009	0.5
93.07043	14.1
95.04964	1.2
95.08607	2.5
97.06551	1.8
98.21026	0.7
98.21613	0.3
100.83440	0.3
105.04581	0.3
105.07048	3.6
107.04955	0.7
107.08600	11.6
109.06510	1.2
109.10162	1.4
109.18101	0.3
111.08036	0.4
115.04012	0.3
115.05441	0.5
117.07036	1.8
118.06505	0.3
119.08589	2.9
121.06512	17.3
121.10150	8.5
123.08049	2.4
126.83321	0.3
127.07569	0.5
128.05344	1.4
128.06149	0.4
129.06985	0.6
130.07767	0.5
131.08577	4.4
133.06673	0.3
133.10133	5.6
135.07097	0.6
135.08066	7.4
135.09102	0.4
135.11722	3.3
136.08810	0.3
137.09627	1.0
143.08553	0.7
145.10126	3.0
147.06831	0.3
147.07980	0.4
147.11690	24.4
148.08823	0.4
149.09645	2.9
149.13271	8.2
158.10843	1.3
161.09633	7.5
163.11197	1.4
163.14821	1.5
173.09608	0.5
173.13275	9.3
176.12010	1.9
191.03421	1.9
191.14311	100.0
192.06558	0.6
192.14627	0.9
194.02498	0.3
198.78600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59373	0.6
52.00227	0.6
53.03938	0.7
55.01859	2.0
55.05500	4.6
57.03422	0.6
57.07075	1.4
60.08029	0.8
65.03940	0.8
67.05496	3.2
69.03432	10.4
69.07072	4.6
70.93804	1.2
71.04985	2.0
79.05487	4.3
81.07043	2.8
82.60175	0.7
83.04984	8.5
83.08611	1.4
84.08118	0.6
85.06538	1.6
91.05478	11.4
93.07034	7.8
95.04949	1.9
95.08602	3.1
96.80033	0.7
97.06537	4.3
103.05444	2.2
105.07031	23.0
107.04958	3.2
107.08595	22.4
109.06535	3.1
109.10159	2.7
111.08088	0.6
115.04103	0.8
115.05412	1.4
115.41267	0.6
117.07026	4.4
118.04223	0.7
119.08583	10.4
120.08105	1.2
121.02861	1.1
121.06526	4.3
121.10138	11.3
123.08105	3.9
123.11739	0.8
129.07001	2.9
130.07751	0.9
131.04913	1.4
131.08568	18.9
133.06508	1.0
133.10129	52.9
135.08052	12.1
135.11665	2.4
136.08875	0.7
143.08536	4.5
144.09326	0.8
145.10120	10.8
146.05902	1.0
147.08017	1.1
147.11688	10.3
148.08849	0.8
149.05989	0.8
149.09628	4.8
149.13249	8.2
158.10893	7.0
161.09586	3.9
163.07556	2.2
163.11156	1.3
163.14835	1.6
171.11690	0.7
173.09607	2.1
173.13271	27.4
176.11957	2.2
191.03494	2.1
191.06995	3.7
191.10698	5.7
191.14302	100.0
192.06430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03936	1.5
55.01858	2.7
55.05519	5.1
56.96569	1.6
57.03438	1.6
57.07068	2.5
59.04993	1.1
65.03929	2.4
67.05506	24.9
69.03443	5.7
69.03739	1.2
69.07073	8.4
70.40058	2.0
70.40446	1.6
71.04995	31.3
74.50798	0.8
76.17919	0.8
79.05489	15.4
81.07056	13.0
83.04978	4.9
83.08611	3.1
85.06535	12.2
91.05482	23.8
93.06465	1.3
93.07045	22.1
95.04972	10.6
95.08050	1.4
95.08611	15.0
95.09171	1.8
97.06531	10.7
98.20972	1.6
98.21523	0.9
100.82044	0.8
103.05459	1.6
105.04509	0.8
105.07036	40.1
107.04959	2.9
107.08598	61.4
109.05785	1.2
109.06514	19.8
109.10155	65.4
111.08077	4.3
115.05427	3.1
116.06242	1.8
117.07027	14.5
119.08585	14.9
121.06519	9.4
121.10142	59.4
122.10464	0.9
123.08074	25.2
123.11671	1.2
127.05463	1.2
128.06197	1.1
129.07002	4.7
130.07820	1.3
131.08568	49.5
133.06508	1.4
133.10132	42.3
135.08055	45.8
135.11668	4.1
137.09581	2.1
143.08582	7.3
144.09317	2.0
145.06509	4.9
145.10132	14.8
146.06015	2.3
147.08009	2.3
147.11685	22.3
148.08839	1.4
149.02348	1.5
149.09628	11.3
149.13254	13.9
150.10371	1.1
155.04897	5.4
158.10909	8.5
161.09622	3.2
163.11142	2.9
163.14839	1.7
173.05978	16.3
173.09702	1.4
173.13266	47.5
176.11948	1.9
191.03384	12.7
191.06853	1.8
191.08376	1.9
191.10658	3.8
191.14307	100.0
192.06557	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03937	1.5
55.05502	4.6
56.22676	1.0
57.07058	1.4
67.05502	3.7
69.03429	14.0
69.07066	6.3
69.64085	4.0
69.64520	3.1
71.04992	2.0
79.05487	6.2
81.07047	4.2
83.04990	12.3
83.08620	1.9
91.05492	10.7
93.07030	7.9
95.04977	1.6
95.08597	4.6
97.06525	4.3
97.25652	1.0
98.21449	2.3
105.07032	18.0
107.08597	25.2
109.06518	2.6
109.10133	2.0
117.07005	2.7
117.46999	0.9
119.08586	10.0
120.45317	1.1
121.06486	4.4
121.10142	13.8
123.08012	4.8
129.06979	2.8
130.07805	1.0
131.08571	20.1
133.10130	39.9
135.08066	12.8
135.11658	2.3
143.08575	5.4
144.09300	1.2
145.10121	7.7
147.11700	10.0
149.09586	5.3
149.13283	7.5
157.10034	1.0
158.10918	10.5
160.05070	5.4
161.09627	4.0
163.14885	1.3
164.52792	1.0
173.13266	24.8
176.11928	2.0
191.05464	1.3
191.14319	100.0
192.07611	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21254	0.3
50.27961	0.2
50.35920	0.2
53.03940	1.0
55.01871	3.9
55.05512	0.8
57.07069	0.3
59.32529	0.2
67.05507	1.2
69.03418	0.6
69.07069	14.2
79.05493	2.6
81.07061	1.5
83.04980	1.6
83.08632	0.6
91.05473	4.5
93.07043	12.1
95.04971	1.0
95.08618	2.1
97.06532	2.0
98.20747	0.4
98.21405	0.8
103.05466	0.3
105.07023	2.8
107.04957	0.5
107.08592	9.6
109.06498	0.9
109.10161	0.8
111.08057	0.3
115.05443	0.5
117.06992	1.6
119.08583	2.5
120.74600	0.2
121.06502	17.3
121.10143	7.9
123.08040	2.0
129.07027	0.6
131.04880	0.3
131.08572	4.3
133.08537	0.4
133.10129	5.8
135.08058	7.8
135.11694	3.0
136.12456	0.4
137.09590	0.8
143.08534	0.6
145.10129	2.8
147.11685	26.1
149.09628	3.8
149.12193	0.3
149.13257	7.0
158.10924	1.6
161.09618	7.0
163.11206	0.6
163.14876	1.9
173.09592	0.3
173.13268	9.0
175.11194	0.3
176.11966	2.2
191.03477	0.7
191.14305	100.0
191.84392	0.3
192.14758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.05502	4.2
56.96564	0.9
57.07065	1.2
65.03935	1.2
67.05498	9.8
69.03436	10.2
69.07067	11.9
70.75280	2.1
70.75652	2.3
73.82899	0.9
74.30918	1.0
79.05502	7.7
81.07058	13.5
83.04984	8.6
83.08595	2.5
91.05477	9.5
93.07040	12.8
95.04964	12.7
95.08042	1.5
95.08609	16.1
97.06511	5.4
98.21011	1.4
104.67674	1.0
105.07024	12.9
107.04932	3.7
107.08599	33.3
109.06542	7.8
109.10167	1.7
111.08088	2.7
117.07027	3.5
119.08586	5.3
121.06508	16.3
121.10149	30.2
123.08091	5.8
129.07059	1.5
130.07799	1.0
131.08571	14.3
133.06497	2.8
133.10155	13.4
135.08061	14.8
135.11708	7.0
137.09755	1.1
143.08557	3.2
145.10129	6.9
146.05934	1.3
147.08037	3.5
147.11697	17.3
148.08829	7.0
149.09636	13.1
149.13243	11.4
158.10982	5.0
161.09662	2.2
163.11200	1.2
163.14781	6.9
173.09708	1.0
173.13269	20.5
176.11951	1.7
191.03615	1.3
191.10657	2.8
191.14311	100.0
192.14583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03944	1.1
55.05510	3.2
57.03431	1.4
57.07085	1.0
67.05508	3.3
69.03432	10.4
69.07072	4.4
69.48946	4.6
69.49279	0.9
77.03960	0.6
79.05496	8.5
81.07059	7.3
83.04980	2.8
83.08634	1.3
85.06538	0.9
91.05469	5.2
93.07058	5.6
95.04964	1.5
95.08601	3.5
97.06521	0.6
105.07031	12.2
107.04962	5.3
107.08602	20.9
109.06516	1.7
109.10161	8.2
117.07045	1.6
118.07859	0.7
119.08582	4.3
121.06519	2.0
121.10144	13.6
122.07269	1.3
123.08042	2.1
129.06982	1.1
131.08568	6.0
133.10132	100.0
134.10574	0.6
135.08064	4.1
135.11697	1.7
137.09622	12.7
143.08493	3.0
145.10143	4.5
147.11668	3.9
149.09636	1.6
149.13260	12.8
158.10913	4.2
163.14816	2.7
173.13271	13.6
191.14310	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	2.6
55.01868	4.2
55.05503	7.8
56.96569	18.7
57.03424	3.3
57.07064	3.3
67.05512	11.3
69.03433	25.7
69.07072	13.7
70.06605	2.4
71.04987	3.0
71.57568	1.5
71.57928	1.8
79.05494	15.7
81.03394	1.5
81.07067	13.1
83.04969	6.3
83.08619	3.0
84.08145	3.0
85.06551	2.7
86.09711	1.6
91.05485	31.4
93.07046	17.1
95.04977	7.7
95.08604	14.4
97.06526	14.2
100.29193	1.6
100.99123	3.6
103.05465	5.2
105.03397	1.5
105.06380	2.7
105.07030	37.0
107.04941	7.3
107.08598	38.4
109.06508	8.6
109.10148	9.2
110.07141	3.3
115.05442	7.5
116.06223	1.7
117.07018	21.1
118.06557	2.6
118.94688	1.6
119.00182	2.2
119.04900	1.5
119.08582	24.6
120.04497	2.4
120.08088	3.0
121.02839	2.6
121.06524	15.7
121.10153	23.7
123.04449	1.4
123.08077	7.1
128.04953	6.0
128.98642	2.3
129.07022	7.1
130.06506	5.5
130.07782	3.1
131.04932	8.1
131.08578	49.3
132.04454	4.4
133.05206	3.8
133.06482	2.5
133.10133	27.6
135.04434	3.8
135.08058	20.0
135.11667	10.1
143.08542	12.0
144.09343	3.3
145.02864	1.9
145.06470	9.2
145.07596	7.6
145.10132	28.9
146.06003	29.8
146.99692	2.2
147.06732	1.6
147.08017	3.4
147.11691	16.7
148.07574	4.4
149.02341	2.9
149.05988	1.9
149.09644	13.7
149.13260	10.9
149.96107	1.7
150.96912	3.9
155.04897	6.3
158.10867	14.8
159.04349	2.5
161.09659	3.7
161.13257	4.6
162.99176	2.3
163.03908	2.5
163.07533	6.6
163.11218	4.1
163.14873	8.1
165.00713	3.2
171.11671	1.5
173.05972	28.4
173.07306	3.0
173.09596	4.7
173.13255	56.3
176.04630	2.7
176.11958	2.0
191.01744	2.2
191.03366	5.4
191.06793	15.5
191.08293	7.8
191.10655	13.4
191.14304	100.0
192.06580	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.64896	1.4
53.03952	2.4
55.05505	4.7
56.96532	1.8
57.07081	1.9
67.05502	8.9
69.03438	3.5
69.07069	19.9
71.04994	4.8
71.57697	2.4
79.05485	10.0
80.05003	1.5
81.07069	8.8
81.07462	1.9
83.08641	1.5
85.06534	4.1
87.86975	1.6
90.86846	1.5
91.05482	20.7
92.72990	1.4
93.07039	19.2
95.04985	6.2
95.08625	12.3
97.06519	4.1
105.07034	53.5
107.04991	2.5
107.08604	27.8
109.06535	5.6
109.10147	7.0
116.06268	1.6
117.07017	7.7
119.08592	12.6
121.02872	1.7
121.06500	3.5
121.10144	25.0
123.08093	3.7
129.07030	4.6
131.08571	32.8
133.10135	100.0
135.08075	25.2
135.11707	4.4
141.32616	1.8
143.08568	5.6
144.09300	1.9
145.10120	15.5
146.06030	4.5
147.06757	1.8
147.11685	23.9
148.07526	3.4
149.09624	7.8
149.13264	31.7
157.17513	1.5
158.10936	6.2
161.09668	2.5
163.11227	3.8
173.09662	2.9
173.13277	38.8
176.12041	2.0
191.03319	3.0
191.06898	3.6
191.08389	4.3
191.10588	11.7
191.14331	44.1
191.17970	2.5
192.06609	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	191.1068
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03926	5.0
55.01870	21.1
55.05511	6.7
57.03426	2.2
57.07064	2.5
59.04996	1.5
65.03932	3.0
67.05170	1.8
67.05505	29.5
69.03432	18.0
69.07066	12.5
71.01334	2.5
71.04977	2.4
71.17025	1.3
71.58398	2.0
77.03913	1.6
79.05495	55.1
81.03390	2.8
81.07056	32.7
83.04982	20.7
83.08607	2.5
84.08141	2.1
85.06539	3.5
85.16618	1.1
91.05482	53.9
93.07043	34.9
95.04970	43.7
95.08582	6.4
97.06533	20.4
103.05441	7.8
105.03378	2.3
105.04516	1.5
105.07030	31.5
107.04956	100.0
107.07857	2.5
107.08592	45.6
109.02878	2.7
109.06522	18.3
109.10147	6.9
111.04465	3.3
115.05441	4.4
116.06221	2.0
117.06208	2.0
117.07014	31.0
119.08582	21.6
121.06501	22.2
121.10144	33.2
122.07323	2.1
123.04424	4.6
123.08069	4.0
123.11689	1.2
125.05977	4.0
129.07013	17.5
130.07784	7.2
131.04929	15.9
131.08566	50.4
132.05658	3.5
133.06503	2.0
133.10133	28.5
135.04460	1.8
135.08047	18.3
135.11674	15.7
137.09587	3.6
143.08551	6.0
144.05690	3.4
145.06477	24.7
145.10129	67.6
146.06032	4.8
147.08055	9.8
147.11716	13.6
148.07582	1.7
149.05910	2.6
149.09644	13.9
149.13292	8.4
153.06961	3.2
155.05971	2.1
155.08546	33.9
158.07294	2.9
158.10922	5.5
161.09618	3.2
163.07506	4.3
163.11185	45.2
163.14691	2.1
173.09628	99.1
173.13249	15.4
191.03340	11.6
191.06984	5.2
191.10669	90.6
191.14302	100.0
192.06561	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	191.1067
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
51.02368	1.4
53.03934	2.9
55.01873	5.8
55.05509	7.1
57.03436	2.0
57.07057	1.7
60.72094	1.0
61.84098	1.1
65.03931	2.5
67.05504	12.6
69.03432	10.6
69.07043	4.1
70.33593	3.7
71.04993	6.8
79.05499	20.9
81.03426	1.2
81.07055	20.1
83.04977	10.8
83.08615	2.3
84.08149	1.7
86.17229	1.0
89.03897	1.4
91.05481	35.7
93.06465	2.4
93.07047	38.7
95.04969	18.8
95.08592	4.9
96.05750	1.6
97.06538	3.6
103.05492	5.9
105.03339	1.3
105.07036	65.3
106.07327	1.6
107.04967	8.2
107.07864	1.7
107.08598	34.4
109.06525	15.9
109.10144	10.1
115.05434	5.4
116.06223	4.3
117.07018	25.9
118.04169	1.2
118.06512	1.2
119.08580	16.6
120.08143	1.3
121.06510	28.4
121.10143	21.9
123.08057	4.8
123.11681	1.5
127.07558	1.7
128.06198	3.1
129.07002	4.8
130.07791	16.8
131.04861	2.0
131.08571	57.0
133.06523	1.3
133.10136	12.0
135.04407	4.5
135.08052	27.3
135.11702	9.8
141.05446	1.5
143.08586	6.9
145.06491	5.4
145.10127	95.1
146.05991	3.7
147.08035	4.6
147.11693	13.1
148.07591	1.9
149.05980	11.0
149.09607	14.9
149.13274	4.3
155.08551	7.3
155.98769	1.3
158.07245	6.3
158.10938	3.3
161.09695	2.0
163.07539	2.9
163.11183	46.9
173.05972	2.0
173.09630	44.3
173.13243	11.3
177.04324	1.7
183.81319	1.2
191.03378	12.2
191.06897	5.4
191.10674	100.0
191.14313	39.1
191.17944	4.1
192.06517	3.1
214.85805	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.126
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99052	0.7
56.57726	0.7
57.07076	21.5
57.12176	0.7
59.99096	3.1
60.38889	0.7
70.76176	1.3
78.00152	32.9
81.91899	0.7
86.09708	9.8
88.02215	0.8
91.02473	0.6
92.01694	0.7
93.07036	0.7
111.67083	0.7
115.51830	0.8
134.06354	37.8
148.07948	3.3
190.12608	100.0
191.12926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.1
56.96567	1.6
66.96733	0.1
69.03427	0.2
69.07066	0.2
70.06573	0.1
71.14317	0.2
72.08107	0.2
72.93797	0.2
74.06078	0.2
79.05485	0.6
81.07037	0.3
84.04471	0.2
84.08131	0.2
91.02159	0.3
91.05467	0.9
93.07034	0.6
95.04967	0.2
95.08594	0.3
98.20975	0.2
100.99133	0.3
103.05444	0.3
105.07039	1.1
107.04952	0.3
107.08589	0.6
109.06539	0.2
109.10100	0.1
115.05479	0.2
117.07016	0.8
118.06551	1.3
119.00137	0.1
119.08587	0.4
120.08086	0.8
121.06509	0.3
121.10141	0.6
124.72705	0.1
128.04951	3.4
128.98576	0.3
130.06519	0.1
130.07820	0.2
131.04942	0.4
131.08549	1.4
132.04454	3.8
132.95848	0.2
133.05205	0.3
133.10109	0.3
135.04436	0.3
135.08035	0.5
144.41565	0.1
145.06494	1.2
145.07622	0.7
145.10153	1.2
146.06006	100.0
146.99638	0.4
147.06316	1.0
147.11624	0.7
148.07613	0.2
149.05981	0.4
149.09653	0.3
149.13364	0.2
149.96074	0.2
150.96825	0.2
162.99158	0.2
163.03899	0.2
163.05104	0.2
163.07564	0.5
163.11203	0.2
165.00702	0.4
167.05513	0.2
167.97166	0.2
173.06117	0.2
173.09563	0.3
173.13316	0.3
174.05505	8.1
190.98534	0.2
191.03423	0.6
191.05481	0.3
191.06927	0.8
191.08473	1.3
191.10512	0.7
191.14284	1.0
192.03152	0.2
192.06586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08175	0.4
51.36043	0.4
55.01886	1.6
55.05511	0.7
56.05042	0.6
56.96575	1.0
61.01165	0.6
65.03939	0.4
70.06584	0.7
71.56055	0.4
71.57684	0.5
72.08143	0.6
73.02914	3.8
79.05504	0.4
80.05874	0.4
84.08141	0.5
86.09727	0.4
91.05467	2.2
98.97620	0.4
100.04005	0.4
102.05516	0.4
103.05462	1.3
105.07066	0.6
106.07358	0.5
109.12764	0.4
115.05451	1.5
117.05741	1.4
117.07021	6.3
118.06544	23.2
120.08121	0.8
128.04941	0.6
130.06528	100.0
130.12216	0.9
131.07251	1.3
132.08055	3.1
132.08855	0.4
136.06154	1.3
143.07306	5.6
144.08080	71.1
145.06485	1.7
145.08403	0.5
146.05986	0.9
148.06169	1.6
148.07417	0.5
148.11978	0.6
148.97388	0.5
149.02328	1.0
154.06490	1.6
155.06079	1.2
157.09712	1.0
159.06798	0.7
160.07553	3.5
162.05481	1.2
162.13562	0.5
163.05118	0.6
172.07568	19.3
172.12003	1.1
173.02945	5.2
185.02956	0.6
190.03458	0.7
190.05037	2.0
190.08617	8.6
190.10805	2.2
190.12270	0.8
190.13167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0864
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
52.66166	0.3
53.03954	0.4
55.01870	1.0
56.05042	0.6
56.96560	1.0
65.97961	0.3
70.06606	0.7
70.27966	1.1
71.36973	0.4
72.08167	0.5
73.02924	4.2
74.06853	0.3
79.05508	0.3
81.03439	0.4
84.08132	0.6
85.02898	0.7
86.07822	0.4
89.03931	0.4
91.05481	1.8
97.02873	0.4
98.06073	0.5
98.20879	0.6
98.21413	0.4
98.97565	0.4
100.03972	0.8
102.05563	0.4
103.05472	1.2
105.07043	0.7
115.05462	1.6
117.05784	1.7
117.07026	6.0
118.06547	21.8
119.07376	2.9
120.08096	1.2
121.02879	0.7
130.06531	100.0
131.07292	1.2
131.08656	0.4
132.08087	3.3
134.06015	0.4
142.06490	0.5
143.07315	5.5
144.08087	68.8
145.06493	1.2
145.08417	0.7
146.06010	0.7
148.97409	0.5
149.02345	0.7
154.06538	1.2
155.06009	0.7
159.06779	0.5
160.07578	3.7
162.05450	2.0
172.07576	19.3
173.02962	0.4
190.03503	0.4
190.04935	1.8
190.08630	9.1
190.12088	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76727	0.3
55.01848	0.3
56.96567	4.3
57.07078	1.5
58.99856	0.5
71.57458	0.3
74.97582	0.3
77.00909	0.5
85.01391	0.3
98.97583	6.7
100.02479	0.6
101.00896	0.4
102.00962	0.3
103.02428	0.8
104.02541	0.4
115.02439	0.7
116.98624	7.2
118.03551	0.4
119.00237	0.5
119.01894	2.7
120.02008	1.7
121.01665	0.3
121.03432	0.4
122.03664	0.3
127.02444	0.4
129.03976	1.1
131.00137	0.6
131.01884	0.4
133.03429	0.6
134.99661	4.9
137.02931	0.6
138.03055	0.6
139.02458	0.8
142.03477	0.9
143.01839	0.4
144.05052	0.4
145.03458	0.8
147.04980	0.8
148.05132	0.3
149.01207	3.3
153.00688	0.8
157.03470	2.8
159.01323	0.3
160.52208	0.3
162.06194	0.3
167.01912	7.8
168.05077	0.4
169.03432	0.3
172.02904	0.4
173.06477	0.4
175.04530	0.7
176.60245	0.6
177.00932	0.9
179.10469	1.0
184.04541	0.3
185.02963	100.0
186.03094	2.2
187.03482	0.4
190.03658	1.5
190.06139	0.4
190.08713	0.4
191.02315	0.3
195.98193	0.8
199.04521	1.8
203.04013	19.5
204.04327	0.5
208.04550	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	190.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33474	2.4
50.67180	2.3
55.01867	6.0
55.05507	2.9
56.05019	4.5
56.96564	45.6
57.03433	9.4
60.08167	28.7
61.02931	13.2
61.08502	2.8
62.15510	2.3
67.05501	3.4
68.04982	2.4
68.81252	2.3
69.03410	10.9
70.06577	5.6
71.57375	3.3
72.08150	12.7
73.02925	13.2
73.08474	4.3
77.00887	3.9
81.03416	3.8
81.65694	2.8
82.06586	3.1
84.04509	10.9
84.08147	100.0
84.96027	3.4
85.02913	10.5
85.06543	4.2
85.08474	33.2
86.03264	2.8
87.04466	4.7
91.00564	2.9
97.02902	4.6
98.01260	3.0
98.06101	5.2
98.79588	2.3
98.97577	11.7
100.99160	4.2
101.00903	6.5
102.02345	2.7
102.05579	3.7
103.00630	2.6
103.02455	3.0
105.00269	5.8
112.07599	3.5
113.00902	4.1
113.02445	4.2
115.02409	5.4
116.07118	4.8
116.98631	6.7
118.01051	6.5
118.08671	3.1
119.00199	4.4
119.01900	17.2
120.01983	5.8
121.01663	5.3
126.03440	2.9
126.05501	3.5
126.09165	3.1
127.03958	3.7
128.98593	4.9
130.05069	3.2
130.08652	29.9
131.01912	8.3
131.09023	14.8
133.03484	8.7
134.99612	5.8
135.04002	11.5
137.02806	3.7
141.01247	3.9
143.01903	6.4
144.02037	2.5
144.05029	4.2
144.06604	2.6
144.10217	7.1
144.99860	4.0
145.03462	7.4
146.99638	7.4
149.01201	5.7
150.01768	5.8
157.03493	7.7
158.99728	2.5
161.02980	5.4
164.04646	2.5
165.00671	5.3
167.02029	5.2
172.09700	5.6
173.02931	7.5
177.00848	2.8
185.02968	54.9
187.00999	3.3
189.15958	6.9
190.01311	5.2
190.10756	4.2
190.14476	5.4
190.16324	8.3
190.98581	4.6
191.03961	5.1
203.04042	14.1
208.04523	6.0
208.99712	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	190.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	7.0
60.08179	22.0
67.05505	4.4
71.40079	3.5
71.57328	4.6
80.98875	3.3
84.08141	100.0
85.08475	28.3
97.79632	3.3
104.84534	3.1
115.38577	3.2
123.00304	3.8
126.20187	3.4
130.08644	37.8
130.38553	3.7
131.08948	11.5
138.79944	3.3
185.02878	4.3
189.15930	11.4
190.01231	9.4
190.16273	10.9
191.04050	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72604	0.8
55.01866	1.7
55.05498	3.7
57.03440	0.9
67.05500	3.8
69.03444	1.4
69.07050	2.9
70.06580	1.0
71.57973	0.9
73.56331	0.7
79.05495	5.7
81.07057	5.5
83.04973	1.3
84.08130	1.1
91.05482	14.4
93.07063	4.6
95.04950	2.9
95.08590	2.7
105.07034	23.3
107.08603	5.8
109.06522	6.9
115.05438	2.1
116.06226	1.3
117.07001	5.1
119.08584	34.2
121.02824	0.9
121.06478	4.0
121.10148	3.1
128.06204	4.5
129.06992	4.3
130.07785	3.0
131.08578	17.3
133.06506	4.7
133.10129	15.1
135.08060	1.7
138.06012	1.3
141.07001	4.0
142.07742	1.7
143.08557	7.8
144.09329	1.1
145.06465	3.2
145.10121	12.8
146.07242	0.8
146.10933	8.0
147.08054	12.9
147.11691	41.5
149.02386	1.7
155.08597	1.0
156.09360	17.6
159.08046	16.3
159.11662	2.2
160.05215	1.0
160.08817	2.4
161.05984	1.4
161.09644	6.4
161.13289	8.2
166.09163	1.1
170.66592	0.8
171.08003	1.0
171.11681	17.2
173.09586	3.0
174.10417	24.3
187.11191	1.0
189.05324	1.4
189.09174	5.5
189.12738	100.0
189.16315	6.5
190.13104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05507	3.9
59.04988	0.6
60.85240	0.7
61.89116	0.7
65.03919	0.7
67.05500	3.1
69.03436	6.6
69.07057	2.0
69.77197	3.8
70.06580	0.7
73.08335	0.7
79.05487	5.1
81.07056	4.2
83.04968	1.7
84.08136	1.0
91.05472	8.4
93.07023	3.7
95.04960	3.0
98.21471	1.2
103.05451	0.8
105.07033	22.7
107.04955	0.7
107.08603	5.0
109.06519	2.2
117.07015	2.8
119.04942	2.0
119.08581	44.1
121.06480	2.8
121.10153	2.4
123.52492	0.7
128.06227	2.5
129.07010	2.6
130.07779	1.4
131.08569	11.5
133.06485	4.1
133.10132	15.5
135.08055	5.5
141.07016	3.5
143.08551	6.1
144.05605	0.8
145.06448	4.3
145.10144	4.6
146.07251	1.5
146.10889	1.4
147.08044	20.2
147.11690	18.0
155.08562	0.9
156.09344	16.5
159.08057	17.9
159.11705	2.4
160.08830	6.9
161.09628	10.5
161.13249	21.1
166.03554	0.7
171.11687	17.6
172.03915	0.8
173.09604	0.9
174.10403	33.8
175.10753	0.8
187.11209	0.8
189.12747	100.0
190.05002	3.4
190.13116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.1
55.05500	1.7
58.90191	0.9
65.03951	1.0
65.59137	1.1
67.05487	1.6
69.03429	5.0
69.07064	2.4
70.06595	2.2
72.08150	1.1
76.41163	0.9
79.05484	1.8
81.07030	1.8
82.06561	1.7
84.08148	8.4
85.02889	2.1
86.09702	13.3
91.05490	6.8
93.07037	1.1
95.04964	1.6
98.21252	5.7
100.02211	1.1
103.05431	1.2
105.07038	11.7
107.08598	1.9
108.28962	0.9
109.06486	1.1
114.03767	9.9
115.04527	0.8
115.05450	3.1
116.05296	4.4
117.06997	4.5
118.06483	1.5
119.04921	1.0
119.06913	0.9
119.07787	1.5
119.08585	21.9
128.01643	1.1
128.06239	6.3
129.07016	15.1
130.07774	5.5
130.08647	1.9
131.04953	1.5
131.08572	6.5
133.06467	3.0
133.10130	8.0
133.15431	0.9
141.06976	9.1
143.04010	2.9
143.06361	2.4
143.08545	8.3
143.99393	1.5
144.09279	1.6
145.06462	2.2
145.10127	18.9
146.07233	1.4
146.10826	1.3
147.08037	8.7
147.11671	17.5
155.08551	3.6
156.09348	57.2
157.06552	4.7
157.09682	1.1
158.07242	2.6
159.08119	5.7
159.11707	14.8
160.05206	2.6
160.08757	1.6
161.05956	4.4
161.09648	4.5
161.13341	4.4
171.02937	1.0
171.05516	1.3
171.11697	66.3
173.09593	1.2
174.06778	12.4
174.10448	9.9
189.05426	3.9
189.09137	21.7
189.12741	100.0
189.16228	2.5
190.03520	10.2
190.13086	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.02374	0.7
53.03922	0.8
55.01878	0.8
55.05504	2.2
57.03433	1.6
67.05497	1.2
68.99788	1.7
69.03408	2.0
69.46995	5.0
79.05499	1.9
81.07059	1.2
84.08136	0.9
85.02905	14.0
87.00832	4.2
89.03934	3.0
89.35965	0.7
90.04702	0.7
91.05480	26.5
93.07050	1.3
95.04929	1.7
95.08591	1.7
103.05462	2.9
105.03388	4.6
105.07034	16.5
107.04945	6.9
107.08615	1.2
114.10833	0.7
115.05439	3.6
116.06247	1.3
117.03378	0.9
117.07002	2.4
118.04175	6.4
118.07759	0.9
119.04938	11.6
119.08582	7.0
121.06508	11.4
124.05238	0.9
128.06219	15.1
129.07005	35.9
130.07770	1.8
130.08650	0.7
131.04924	7.1
131.08575	5.6
132.05719	1.3
133.02856	13.4
133.06482	6.2
133.10127	7.3
134.52321	0.7
135.04463	0.8
141.07042	0.9
143.08568	3.6
143.25107	0.7
144.05707	3.6
144.32465	0.8
145.06505	4.1
145.10132	2.6
146.03636	1.7
146.07269	17.1
147.04387	1.8
147.08049	5.1
147.11690	2.8
148.05186	100.0
149.05696	0.8
155.06023	1.4
156.09309	1.6
157.06493	20.1
157.07741	1.2
158.07256	1.6
159.04434	1.5
159.08023	1.7
161.05981	30.4
161.09619	44.6
161.13245	1.4
163.03842	0.7
171.02841	1.0
171.08076	1.5
171.11691	2.1
174.06761	13.9
175.60577	0.6
189.01726	0.7
189.05511	5.0
189.09108	51.5
189.12650	5.9
189.16304	3.3
190.03619	0.9
190.06224	1.2
190.85509	0.7
207.02832	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0546
Annotation	2-Methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
51.02384	0.3
55.01867	1.2
55.05510	0.6
57.48492	0.3
57.63089	0.2
62.96593	0.3
65.03927	0.6
67.05520	0.7
68.99795	0.5
69.03436	1.2
69.07057	0.3
70.06593	0.4
70.73164	0.3
70.73494	0.7
71.96603	0.3
79.05493	1.1
81.07054	0.7
82.06561	0.5
84.08137	0.6
85.01116	0.4
86.00634	0.2
87.02699	0.8
89.03947	0.3
91.05481	8.3
93.07056	0.6
95.04974	0.9
95.08581	0.3
103.05441	0.8
105.03424	1.3
105.04528	0.3
105.07033	8.7
107.04954	0.4
107.08630	0.5
109.06485	0.3
114.03780	0.4
115.05451	53.4
116.05794	0.9
117.07021	1.0
119.04932	0.6
119.08587	3.9
121.06529	0.3
128.06210	2.2
129.07010	1.1
130.07822	0.3
131.08566	2.1
133.06483	6.0
133.10129	2.9
143.04919	66.9
143.08522	2.1
144.05316	1.0
145.06468	0.5
145.10088	1.3
146.07277	0.5
147.04408	1.0
147.08066	1.7
147.11653	2.5
156.09373	1.9
159.08049	0.9
159.11711	0.4
160.05197	1.2
160.08836	0.5
161.05980	62.3
161.09549	2.8
161.13229	2.5
162.06339	1.0
171.04376	1.8
171.08005	0.5
171.11661	1.9
174.06735	1.1
174.10382	2.3
189.05464	100.0
189.12700	8.5
189.16365	0.9
190.03537	0.5
190.05800	1.9
190.15947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
69.03410	0.5
70.06589	0.3
81.03458	0.3
82.06578	0.3
84.04507	0.8
84.08137	0.6
84.70747	0.3
87.04466	1.2
91.05478	4.5
95.04981	0.3
98.20834	1.1
98.21513	0.6
102.05547	0.5
103.05468	0.7
105.07069	0.5
113.51638	0.3
115.05449	5.7
116.05003	0.4
117.05773	1.8
117.07033	4.3
118.06543	65.4
119.06878	0.6
121.72690	0.3
125.78185	0.3
128.04916	0.4
128.07074	2.8
132.08121	1.0
142.06529	5.6
142.08659	0.4
143.07306	11.8
144.04431	0.8
144.08084	24.6
145.06473	0.8
145.08353	0.5
146.06007	100.0
147.06363	1.0
155.06087	0.8
160.07527	1.5
167.69193	0.3
170.06010	8.7
188.07056	22.1
188.09065	0.8
189.07439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
60.78659	0.4
66.52520	0.4
67.69131	0.4
69.88256	0.4
70.82147	0.8
91.05492	3.9
98.20892	0.5
103.05496	0.6
113.08645	0.5
115.05479	4.9
117.05770	1.3
117.07018	5.3
118.06548	66.8
119.06863	0.6
128.04988	0.5
132.08095	0.7
142.06523	5.7
143.07317	12.3
144.04434	0.9
144.08093	24.9
146.06015	100.0
147.06375	1.2
155.06117	1.1
158.40683	0.4
160.07616	1.0
170.06015	7.8
175.19969	0.4
176.69868	0.4
182.01720	0.4
188.07076	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05497	3.1
57.03435	1.3
57.07068	4.1
59.99128	0.9
61.05792	0.8
65.03947	0.9
65.27679	0.9
65.75586	1.0
67.05508	9.0
69.03434	1.3
69.07056	3.0
69.84650	5.1
69.90860	0.9
74.80486	0.9
79.05490	7.3
81.03408	1.9
81.07059	5.8
83.08635	5.6
84.04509	1.4
85.02905	1.8
86.03228	1.9
88.02218	13.0
91.05486	18.0
93.07047	5.9
95.08610	3.4
98.21075	2.5
103.05491	1.0
105.04837	1.1
105.07048	20.0
105.75229	0.9
107.08593	3.1
109.78915	0.8
114.05516	1.2
115.05871	3.1
117.07030	23.2
118.06512	0.9
119.08594	14.9
121.10155	3.0
126.05531	1.2
127.05889	1.8
128.06255	1.6
128.07109	3.3
129.07011	4.7
130.07790	5.2
131.08578	56.3
133.10133	3.5
136.06169	1.4
143.08562	5.0
144.09314	1.9
145.10133	89.3
146.10663	1.3
147.06859	1.0
157.10153	3.1
158.10840	1.6
159.06937	1.0
159.08080	2.2
159.11696	13.5
169.58836	1.0
172.08838	1.6
172.12488	2.7
173.00787	2.1
185.13347	1.6
187.11278	8.0
187.14841	100.0
187.22481	1.1
188.09200	1.1
188.15196	1.8
190.36462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01870	1.5
55.05498	0.8
56.05027	1.7
57.03428	1.7
57.07077	1.1
60.04519	1.1
65.20465	0.6
67.05498	1.1
68.05041	0.6
69.03432	1.2
69.07074	7.4
70.02962	6.7
70.06598	10.1
71.06127	1.1
71.58332	0.6
72.04508	1.1
72.07793	1.1
72.08160	10.9
73.02897	0.7
73.07668	0.6
74.06100	0.6
79.05477	0.7
80.05017	1.4
81.03462	0.6
81.07055	1.2
82.06566	1.1
84.04037	0.7
84.04509	6.7
84.08134	4.0
85.02910	23.4
85.04009	1.2
86.06915	0.5
86.09704	8.6
89.03923	15.3
91.05472	0.9
95.04974	1.3
96.04478	0.8
98.06046	2.4
98.07178	7.6
98.09721	0.6
99.05583	1.9
100.07647	0.7
103.05462	1.3
108.04508	1.4
109.10128	0.7
112.05141	0.6
112.07623	2.2
113.04739	1.7
113.96358	0.6
114.05537	30.7
117.03383	27.5
121.00809	4.3
121.01620	1.1
126.05530	16.5
126.06640	42.4
126.09133	1.0
127.03951	1.2
127.05061	0.7
127.06116	1.3
129.10266	0.8
130.05692	0.6
130.06496	2.8
130.08636	0.6
131.08630	0.7
135.04436	1.9
136.06285	0.7
138.05562	0.8
139.01845	6.3
140.07082	2.8
140.10727	0.8
140.14348	16.7
144.07689	100.0
144.95764	0.7
145.02853	33.1
146.03172	1.0
158.06010	8.8
163.01811	8.9
163.03876	1.3
168.06598	1.1
168.08836	1.6
168.13829	1.5
169.07225	29.1
173.00803	1.0
181.02878	15.5
186.03754	0.7
186.05537	11.8
186.07637	5.1
186.09882	28.0
186.11275	2.0
186.14848	4.2
186.18582	2.3
187.05345	1.4
187.07581	2.2
187.11281	0.8
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
50.56852	34.5
52.31401	33.6
65.59963	37.6
70.77306	59.4
70.77646	100.0
79.74361	46.1
79.78258	39.3
84.57376	42.6
120.01999	98.0
173.87956	40.6
185.04419	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03944	7.0
55.05519	30.8
57.07072	29.3
67.05500	20.1
69.03439	32.0
69.07066	17.2
70.06573	6.0
71.58030	7.9
72.04544	5.7
79.05486	28.3
81.07065	38.2
83.04979	13.3
83.93143	5.9
84.04498	16.6
84.08128	11.3
85.02908	33.6
91.05481	23.8
93.07045	62.2
95.04931	8.3
95.08614	9.5
97.02882	100.0
97.06557	15.4
101.95018	10.3
102.96861	13.5
107.04939	8.4
107.08620	18.1
111.04457	38.1
111.08103	8.1
112.07600	14.3
113.06003	18.8
114.05539	57.2
119.96084	8.0
120.97895	11.4
121.00819	8.8
121.06498	55.7
121.07326	7.4
121.07603	6.6
121.10157	50.7
125.06008	10.8
125.09631	6.6
126.05506	32.4
128.06206	19.4
129.07033	39.0
129.64613	6.2
131.08565	67.1
137.97112	11.0
138.98900	13.1
139.01823	10.9
139.11133	7.3
140.07072	24.4
142.07771	26.1
143.08618	42.0
149.07112	13.6
149.09596	64.6
156.09398	11.7
157.10133	46.4
167.10680	14.4
170.10933	38.3
185.09576	22.2
185.13248	84.1
186.07611	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	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05027	1.2
58.06620	1.1
60.08162	18.4
68.02708	0.4
70.20666	0.8
70.21055	0.8
71.07374	11.0
71.95254	0.5
79.02833	0.4
82.06588	0.4
86.09704	100.0
87.10040	0.7
98.20766	0.4
98.98465	17.8
101.95033	10.0
104.10733	5.3
115.41839	0.3
116.47540	0.4
119.96065	5.7
121.14636	0.4
125.00002	77.8
137.97102	4.5
142.97682	0.7
143.01018	0.7
155.98163	1.4
160.98680	0.8
166.02640	0.5
178.99765	0.5
180.17973	0.4
184.07338	95.2
185.07619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40592	0.2
62.09758	0.1
69.01806	0.2
74.30588	0.2
82.99826	1.7
100.02458	0.2
101.00880	25.8
101.95029	1.4
102.00943	0.4
107.53872	0.1
115.02449	0.4
118.03513	0.3
119.01921	100.0
119.96078	0.5
120.01994	2.6
121.02345	0.4
124.02468	1.6
133.03471	1.0
137.02956	28.2
137.97115	0.2
138.03094	0.4
139.03398	0.2
142.03500	20.8
143.01926	0.5
143.03661	0.7
151.04607	0.2
156.05063	0.2
160.03560	0.1
160.04553	5.3
161.02956	9.3
165.05066	0.3
175.04506	0.2
179.04012	10.2
180.04233	0.3
184.03021	0.2
184.04552	1.2
202.05606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.3
70.23681	0.8
78.81106	0.3
80.94980	0.8
82.99853	1.6
84.01191	0.7
98.21093	0.8
98.97589	1.4
101.00883	28.6
101.95019	1.0
102.00974	0.6
102.02238	2.9
115.00608	1.7
115.02402	0.6
116.98619	0.8
119.01923	100.0
120.02003	2.2
120.03284	0.9
121.02382	0.4
124.02455	2.3
124.93928	0.5
131.01871	1.0
133.01639	11.8
133.03442	1.3
133.04617	0.3
135.03223	0.6
137.02959	24.8
138.03067	0.8
141.87891	0.4
142.03500	19.9
143.00175	0.5
143.01884	0.9
143.03674	0.7
151.02646	3.4
156.03220	8.1
156.05142	0.8
157.03520	0.6
158.04788	0.7
160.04564	5.7
160.95996	0.7
161.01384	0.8
161.02966	12.0
165.05118	0.6
165.96597	0.4
174.04362	1.8
179.02243	3.6
179.04031	10.6
183.97635	0.6
184.02881	1.4
184.04610	1.3
197.03310	1.1
202.03859	3.1
202.05524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
56.96565	2.0
57.03434	1.0
58.99862	0.4
61.02911	0.9
69.03418	1.6
70.80850	0.8
72.08144	0.4
73.02918	3.1
81.03418	0.7
82.99848	1.6
84.04478	0.4
84.08134	0.6
85.02905	2.5
86.09738	0.4
95.18687	0.3
97.02905	1.7
98.20750	0.4
98.97610	1.3
100.02465	0.4
101.00880	25.6
101.95039	8.2
102.01011	0.6
102.02249	0.4
103.00636	0.6
103.02405	0.5
110.01309	0.4
110.97535	0.5
113.00867	0.5
115.02437	1.2
115.39334	0.4
116.98618	0.8
119.01921	100.0
119.96085	4.1
120.02003	2.8
121.01654	0.8
124.02411	2.1
124.12286	0.3
127.03941	1.0
128.13889	0.3
128.98610	0.6
131.01909	1.2
131.94505	0.4
132.01997	0.6
133.01672	3.3
133.03416	2.4
134.99648	0.5
135.03180	0.5
137.02957	27.8
137.97128	2.4
138.03139	0.5
142.03500	19.0
143.01901	4.1
143.03642	0.9
144.02025	0.8
145.01569	0.8
145.03487	0.5
147.01401	0.9
147.03221	0.6
151.02715	1.0
155.98222	0.6
156.02078	0.8
156.03270	2.2
156.05103	0.7
157.01648	0.5
157.03543	0.6
160.04547	5.1
160.98758	0.6
161.02954	16.4
162.03091	1.6
163.02695	0.6
168.02115	0.6
170.02998	0.6
171.03531	0.4
173.02966	0.7
174.03094	1.5
174.04477	0.7
174.06137	0.5
175.02771	0.9
175.04514	0.6
179.02385	0.6
179.04001	10.2
184.04538	2.1
185.02914	0.6
185.04352	0.6
186.03207	1.0
187.02730	0.9
193.95129	0.4
197.03242	0.4
202.03899	0.7
202.05702	0.9
203.04070	0.4
204.04231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1017
Annotation	Crocusatin I
Peak:m/z	Relative Intensity
53.03946	3.9
55.01865	3.1
55.05513	7.6
56.73830	0.4
57.03441	4.5
60.97519	0.4
65.03936	1.0
67.05504	14.8
68.29347	0.4
69.03425	2.9
69.07069	13.1
70.41048	0.4
70.41386	1.3
71.04992	6.4
73.06561	3.0
75.20923	0.4
79.05493	8.6
81.03417	100.0
81.07061	6.5
82.03735	0.5
83.04981	22.3
85.02913	4.1
85.06522	0.5
91.05480	31.8
92.05798	0.6
93.06463	0.8
93.07043	13.2
95.01318	0.8
95.04964	5.5
95.08608	7.7
96.55772	0.4
97.02889	2.9
97.06534	2.0
98.98474	3.5
99.04478	0.9
101.05992	0.5
101.95034	1.6
103.05479	0.8
105.03399	3.0
105.04510	0.7
105.07032	11.4
107.04955	0.9
107.08607	0.8
109.06569	2.0
109.10155	5.5
113.06039	0.5
117.07029	1.7
119.08578	31.2
119.96061	0.6
121.06512	9.2
121.10148	0.9
123.04451	1.1
123.08058	3.4
127.01543	0.6
129.07021	2.1
135.08055	0.7
137.09610	22.1
137.97099	0.8
141.07022	0.5
147.08052	8.1
155.08592	1.8
165.09116	19.1
165.12779	0.4
168.09387	1.1
183.08138	0.6
183.10165	3.9
183.11754	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	183.1381
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03939	4.0
54.22725	1.0
55.01865	3.4
55.05511	13.0
55.13078	1.0
56.96536	1.4
57.03428	4.1
57.07078	11.1
58.06610	1.1
59.05009	9.0
59.62365	1.1
61.86338	0.9
61.89623	0.8
65.03952	1.5
66.79958	1.0
67.05502	13.5
69.03419	2.1
69.07068	29.5
69.83435	0.9
70.06558	1.1
71.01355	16.7
71.04993	55.8
71.08629	1.7
71.18335	0.9
71.28389	2.2
72.08140	1.4
79.05500	10.4
81.03424	7.3
81.06574	1.9
81.07051	31.6
83.04971	2.6
83.08618	18.4
84.08124	2.0
85.02894	1.8
85.06546	5.2
86.09707	1.2
87.08133	1.1
91.05489	5.9
93.07046	7.0
95.04963	13.7
95.08604	21.1
97.02911	1.1
97.06528	61.3
98.21124	1.4
98.98465	17.9
99.04454	100.0
99.08089	1.1
101.06022	10.8
101.95034	3.0
105.03393	23.8
105.07042	5.9
107.08595	30.8
109.06511	7.8
109.10156	4.2
110.06040	1.2
111.08065	1.8
111.11719	8.0
113.06052	1.9
113.09626	6.9
114.28290	1.0
119.01928	1.2
119.08585	4.5
119.96078	2.0
121.10137	10.9
123.04415	9.5
123.08070	7.8
123.11707	41.9
125.05988	2.1
125.09629	7.5
127.01548	2.9
127.07560	1.4
129.06964	1.8
137.05968	4.2
137.09639	4.9
137.13255	12.7
138.05457	1.2
138.09181	1.2
139.11195	2.3
140.04677	3.0
141.05469	4.8
141.06985	2.4
141.12726	5.9
147.11723	5.9
153.06915	1.8
155.04909	1.5
155.07201	1.9
155.08594	6.7
156.13814	2.5
160.04521	1.5
165.05484	5.4
165.06787	1.8
165.09126	2.4
165.12758	12.4
165.51891	1.0
168.09354	5.3
183.04399	2.3
183.06528	6.1
183.08101	5.2
183.08990	1.0
183.10176	2.0
183.11731	9.7
183.13811	31.0
184.07468	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.154
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.01854	0.9
55.05510	8.3
57.03419	1.5
57.07077	3.0
58.02965	29.6
59.05021	0.6
65.03941	0.7
67.05169	1.0
67.05509	17.6
69.03425	0.8
69.07071	61.9
69.98026	2.9
70.06572	2.4
71.04990	0.8
71.08641	0.8
72.08132	0.6
74.06072	1.7
79.05496	6.6
81.06574	1.1
81.07059	19.0
83.04977	1.3
83.08624	8.2
84.08151	8.7
86.06065	1.4
91.05491	5.0
93.07043	11.1
95.04955	1.8
95.08613	7.3
96.08163	0.6
97.06533	4.6
98.06054	2.0
98.09689	2.7
98.21191	1.7
98.97599	1.3
98.98389	0.8
99.82891	0.6
99.97921	1.0
100.07628	6.5
105.07031	14.2
107.08596	17.0
108.08133	0.9
109.06526	2.1
109.10159	49.1
112.07620	3.4
114.08389	1.1
114.09161	14.9
116.98638	1.1
119.08575	0.9
121.10136	2.5
123.08077	0.6
123.11707	8.7
123.72279	0.6
124.11227	1.0
126.09148	13.0
126.12803	2.2
128.10696	0.7
133.10143	28.4
135.11693	16.6
136.07500	0.7
137.13255	1.1
138.12784	21.0
140.10719	0.8
140.14287	1.1
147.11705	5.4
147.75746	0.6
151.11186	9.5
153.12749	11.3
154.08669	1.5
154.15901	1.9
164.14354	2.4
165.12743	3.1
172.85609	0.6
182.08180	1.4
182.15416	100.0
183.15767	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	2.8
58.99861	2.2
69.96358	2.1
70.98127	0.5
77.00916	0.8
78.95280	1.2
82.01449	8.4
84.96041	1.1
91.05476	2.4
94.99818	0.8
95.04961	0.6
97.13892	0.5
98.20921	1.1
98.97581	3.8
99.97926	1.6
100.02492	21.3
101.02557	0.7
113.00868	16.9
115.02439	1.5
116.97889	0.5
116.98621	3.0
118.03531	7.1
119.01929	1.5
119.04945	3.1
119.97890	0.9
122.94314	0.5
123.04465	3.7
131.01913	100.0
132.02048	2.3
133.02493	1.0
133.03471	7.6
134.99586	0.6
136.02414	4.2
136.07587	9.2
140.95224	0.6
140.98599	0.8
144.99808	0.7
145.03430	0.7
147.04419	1.6
149.02968	30.3
150.03096	0.5
151.04543	2.3
154.03506	71.1
155.03639	2.0
156.05045	5.8
158.96281	0.6
158.99641	2.1
159.01395	4.4
163.96870	0.9
165.05513	1.9
168.05095	1.0
172.04564	18.0
174.06143	1.9
177.00789	1.7
177.02457	30.3
178.02737	0.9
182.02986	12.9
182.08130	0.9
186.06439	0.5
195.03505	7.0
200.04063	21.7
201.04103	0.8
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	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03942	6.3
55.01875	11.2
55.05261	2.4
55.05512	34.1
56.96579	13.4
57.03424	6.4
57.07062	7.5
59.04991	1.7
65.03930	2.6
65.99590	1.8
67.05176	2.4
67.05507	37.4
69.03412	7.0
69.06767	2.0
69.07075	20.2
69.89017	11.1
71.04989	5.1
73.02909	5.8
79.05061	4.3
79.05495	66.5
81.03436	4.7
81.07063	45.0
83.04984	16.9
83.08609	8.3
91.05479	23.2
93.07050	100.0
95.04979	16.3
95.08611	79.4
95.09109	1.3
95.09229	2.6
97.02879	3.2
97.06538	13.1
98.21201	5.2
98.97588	99.8
99.04446	2.7
103.05437	3.0
105.07040	17.7
107.04959	24.7
107.08598	57.5
109.06509	3.3
109.10170	5.3
111.08013	3.3
113.41750	2.0
116.97312	3.6
116.98627	89.7
117.07033	16.5
119.08576	14.2
121.06520	21.1
121.10146	43.9
125.05995	20.1
130.07811	4.5
133.10127	2.3
134.99666	54.5
135.04431	4.8
135.08118	9.8
135.11700	69.4
135.99881	2.1
139.07507	4.5
140.00200	7.0
145.10126	40.7
149.86285	2.0
153.00703	5.6
153.12761	3.7
156.39436	2.0
158.01262	7.3
163.03940	9.9
163.07478	2.4
163.11191	92.4
176.02361	2.1
181.04929	4.4
181.09990	5.2
181.12248	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03941	2.0
54.41478	0.9
55.01857	2.8
55.05495	3.2
56.96553	3.1
57.03420	1.3
57.07078	22.8
59.04985	2.9
65.03941	1.4
65.91750	0.9
66.35198	1.0
67.05502	4.4
69.03428	1.8
69.07051	3.2
69.26476	1.8
69.26891	9.2
71.04989	1.1
79.05109	1.2
79.05496	12.5
81.03419	7.9
81.07066	4.9
82.99010	0.9
83.04986	53.5
84.04495	1.7
89.03883	3.1
91.05488	6.5
93.07033	9.8
95.04974	19.9
95.08595	2.3
96.46330	1.0
97.06535	27.7
98.21091	5.6
98.97586	17.5
103.05490	1.3
103.68314	1.0
105.07027	5.7
105.35790	1.1
107.04951	4.5
107.08594	14.8
109.06471	1.4
109.10188	1.1
111.04379	1.4
111.13013	0.9
116.98618	15.8
117.03351	3.7
117.07031	2.9
119.08568	4.3
121.06521	5.0
121.10150	17.8
123.08106	1.9
125.05997	66.9
126.06258	1.0
130.07762	1.5
134.26997	1.0
134.99675	10.5
135.04437	7.9
135.08060	3.9
135.11688	8.3
135.53091	1.1
136.07571	7.2
137.06006	1.2
137.09596	1.4
145.02850	4.1
145.10159	11.5
153.00717	1.1
154.06503	2.5
163.03909	17.0
163.11191	100.0
164.07037	3.5
164.11598	1.1
181.04971	2.5
181.06436	1.7
181.08621	2.7
181.12241	35.8
182.05992	1.4
182.08220	1.1
182.12567	1.0
185.04791	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.39019	1.4
55.01880	2.8
55.05512	2.9
56.96569	1.9
57.07077	23.6
59.05004	3.1
67.05508	2.7
69.03432	1.5
69.07085	2.7
70.72331	2.5
79.05506	7.7
81.03433	5.4
81.07067	4.8
83.04981	46.4
91.05493	3.5
92.24405	1.2
93.07047	6.7
95.04967	16.1
95.08620	1.5
97.06538	24.0
98.20982	1.3
98.97588	14.3
105.07034	6.5
107.04955	2.4
107.08622	11.7
109.06578	1.3
112.01245	1.3
116.98621	15.2
117.07040	2.4
119.08590	4.9
120.17448	1.2
121.06557	2.0
121.10166	11.2
125.05998	69.9
130.07753	1.6
133.37219	1.1
134.99646	6.9
135.11688	6.9
140.00175	1.6
143.08617	1.3
145.10159	10.9
158.01289	2.3
163.11186	100.0
181.10052	3.4
181.12228	30.2
181.53499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
51.70272	0.8
53.03933	2.1
55.01864	1.3
55.05494	1.4
56.96560	1.8
57.07077	23.0
59.04992	2.3
67.05502	2.2
69.03421	1.2
69.07047	3.8
71.01343	0.8
71.19679	2.0
71.20001	1.1
71.40086	0.9
71.95255	1.0
76.27937	1.0
79.05492	8.9
81.03411	6.0
81.07040	3.8
83.04983	46.4
91.05456	3.1
93.07059	7.8
95.04973	16.8
95.08587	1.2
97.06537	26.5
98.97587	17.2
105.07011	4.2
107.08591	11.5
116.97298	1.3
116.98614	14.5
117.07018	3.0
119.08575	3.1
121.06503	3.7
121.10141	12.1
125.05994	65.1
126.79691	0.9
130.07817	1.9
134.99655	8.3
135.11693	8.6
140.00191	2.2
141.94958	1.0
145.10118	11.6
148.08835	1.0
158.01260	1.7
163.11188	100.0
164.11481	1.6
165.06879	1.0
166.07716	1.9
181.08720	1.1
181.10139	3.8
181.12238	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.55756	1.6
53.03931	1.8
55.01865	3.8
55.05510	11.7
56.96558	14.8
57.03436	6.5
57.07061	6.1
57.93554	2.1
67.05507	30.1
69.03415	2.4
69.07065	12.1
69.26417	4.1
69.26840	9.5
71.01348	7.1
71.04993	3.6
71.95255	5.1
79.05060	2.0
79.05495	34.1
81.03420	12.8
81.07058	23.1
83.04984	22.2
83.08600	5.7
91.05483	14.8
93.07047	34.8
95.04980	7.7
95.08622	6.9
97.06538	10.4
97.10157	3.6
98.97584	100.0
105.07036	4.6
107.04948	3.4
107.08593	17.4
109.06558	2.1
109.10143	3.8
111.04478	1.4
111.08085	2.0
112.92986	1.4
116.97215	5.8
116.98623	99.5
117.07008	5.0
119.08598	6.4
121.06467	6.5
121.10149	18.3
123.08068	1.7
125.06007	11.8
125.09639	1.5
130.07764	1.5
133.10126	2.1
134.99660	70.9
135.04399	2.4
135.08066	3.0
135.11710	22.6
136.07561	1.9
137.09583	1.6
140.00180	9.1
145.10126	11.2
149.01234	1.7
153.00745	11.8
158.01244	11.2
163.03906	4.5
163.11203	30.0
165.06998	2.5
181.04895	1.6
181.06432	1.8
181.10094	3.7
181.12242	18.7
181.89510	1.4
183.05087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03940	0.7
63.02372	0.3
68.04662	0.3
69.51137	2.1
79.05490	3.8
89.03918	18.6
90.04227	0.4
91.05476	1.7
93.03348	0.5
93.07059	0.3
95.04957	0.7
98.20842	0.5
98.21461	0.7
107.04961	6.0
110.88174	0.3
111.04456	1.1
117.03380	21.7
118.03721	0.5
135.04419	38.9
136.04784	0.7
139.03894	0.7
145.02849	24.5
146.03191	0.4
163.03906	100.0
164.04265	1.4
174.78740	0.3
181.04974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.04316	0.5
53.03933	0.6
55.01863	0.6
55.05504	2.4
55.57328	0.5
56.96557	0.6
57.07057	1.6
59.04779	0.4
59.05007	4.6
60.51993	0.5
67.05507	2.4
69.03422	1.7
69.07065	3.8
70.71484	1.5
79.05503	5.6
81.07062	6.2
83.04971	1.1
83.08624	0.9
91.05492	3.3
93.07050	18.7
95.04974	1.0
95.08613	16.3
97.06532	1.9
98.97591	5.9
101.13908	0.6
105.07025	3.9
107.04958	1.0
107.08600	33.0
109.10145	2.5
111.04443	1.4
111.08054	1.2
116.98634	4.1
117.07008	0.9
119.08602	4.1
121.06520	4.5
121.10146	17.3
121.11024	0.9
123.08091	4.0
125.05999	3.7
130.07780	0.9
134.99673	0.9
135.11700	46.4
137.09650	0.7
137.13257	1.6
139.07532	8.8
145.10123	10.2
153.12718	3.0
163.11191	30.4
167.06175	0.5
168.01430	0.5
181.12242	100.0
182.12575	1.4
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	Aspirin
Peak:m/z	Relative Intensity
51.02367	0.4
53.03953	4.4
53.05923	0.3
53.77904	0.3
55.01878	1.9
55.05510	1.4
56.96570	5.9
57.03448	0.4
57.07069	1.6
64.58872	0.4
65.03929	1.5
67.01868	25.2
67.05513	4.1
68.99788	5.5
69.03419	1.1
69.07070	0.9
70.23951	1.0
70.24310	0.7
71.04985	1.0
71.95248	1.1
73.94785	0.4
77.03941	0.5
79.05502	6.6
81.03386	0.9
81.07060	2.9
81.12572	0.4
82.01310	0.4
83.04977	4.1
83.08634	0.5
89.03907	0.5
91.05473	2.0
93.03409	2.4
93.07047	3.7
95.04971	7.4
95.08615	1.6
97.02955	0.4
97.06522	2.5
98.21082	0.8
98.97588	27.6
99.00826	2.4
105.07034	1.4
107.04951	4.5
107.08595	3.5
109.04814	0.6
111.04468	1.9
111.08082	0.4
116.97234	1.6
116.98622	30.5
117.03440	0.6
117.07032	0.8
119.08636	1.0
121.02893	3.8
121.06500	1.2
121.10140	5.3
123.08040	0.7
125.05988	4.8
134.99661	30.3
135.04422	11.8
135.08090	0.7
135.11722	2.6
139.03906	25.0
140.00162	2.0
141.01787	1.9
145.02837	1.1
145.10120	1.8
149.01257	0.9
153.00714	4.7
153.05472	0.8
153.07114	0.4
154.08609	0.5
158.01270	4.0
163.03909	100.0
163.11176	7.1
164.04219	1.7
166.07751	1.0
176.02316	0.8
181.04964	53.9
181.09944	1.9
181.12206	5.4
182.05283	0.7
183.02966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0879
Annotation	1,3-Dimethylguanine
Peak:m/z	Relative Intensity
55.02999	1.2
56.05015	0.3
56.96566	6.6
58.06578	0.3
60.04522	0.4
65.03955	0.3
67.05503	0.3
69.03423	0.7
70.06578	1.6
70.30079	0.8
70.98107	0.2
71.04979	0.3
71.06102	2.2
71.95242	0.6
72.08148	0.9
77.02562	0.3
79.05488	0.8
80.04995	0.6
81.03410	0.5
81.07059	0.2
82.04047	1.3
83.06102	0.2
84.08145	2.4
85.02892	0.7
85.08455	0.4
86.06076	0.4
86.09710	1.4
89.02755	0.2
89.03928	1.2
93.07019	0.3
97.02861	0.4
98.97584	17.2
100.02162	0.4
102.03757	0.7
102.53097	0.3
103.02166	0.6
106.06545	0.9
107.04927	0.6
108.04478	2.1
108.08115	0.8
110.03528	22.6
110.07156	0.9
110.97571	0.6
111.04440	0.3
111.53652	0.8
112.07603	0.7
114.03777	0.3
116.03317	0.4
116.98621	15.6
117.03370	1.8
118.01112	0.3
118.51738	0.3
120.08091	0.8
120.69474	0.2
120.96520	0.5
120.97946	0.3
122.05878	1.0
122.07166	0.3
127.03922	0.4
128.04573	2.1
128.98640	0.6
129.10234	0.3
130.03496	0.5
130.08600	0.6
133.97279	0.9
134.00934	0.4
134.06007	0.8
134.09697	0.3
134.99660	9.5
135.03043	2.2
135.04413	2.8
135.06609	0.3
137.02379	0.3
137.04596	0.4
137.08220	6.1
138.98883	0.3
140.00154	0.7
144.04793	0.5
145.02840	1.5
146.99660	0.6
147.05441	0.4
147.11266	0.4
149.01190	0.4
150.29570	0.2
152.05914	0.4
152.07010	1.3
153.00665	1.3
153.04071	7.3
154.59113	0.3
158.01268	0.8
158.06590	0.3
162.00407	0.6
162.05389	0.2
162.07787	2.5
162.09073	0.5
163.03908	7.1
165.06479	1.7
173.02896	0.4
174.04387	0.3
174.99176	0.4
175.02800	0.7
179.97864	0.4
180.08806	100.0
180.10063	3.7
181.07185	0.4
181.09099	0.9
189.99846	0.2
193.03860	0.3
198.00041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03937	4.0
54.04275	1.0
55.01871	4.7
55.05262	1.3
55.05512	19.8
56.05847	0.9
56.96577	1.2
57.03425	3.4
57.07083	4.6
60.67010	1.1
65.03922	3.3
67.05506	100.0
68.05835	1.6
69.03425	7.4
69.07069	12.1
71.04989	4.5
71.57525	1.3
71.99078	1.0
76.02241	2.4
77.03960	1.3
79.05048	1.7
79.05492	22.7
81.03409	3.3
81.07059	57.0
83.04964	3.4
83.08606	2.9
85.10198	1.4
91.05484	24.4
93.07047	21.0
95.04965	15.3
95.08607	92.9
96.04482	1.5
97.04823	3.0
97.06507	3.0
98.98463	1.6
103.05467	1.0
105.03380	3.1
105.07033	29.3
106.07418	1.2
107.04940	3.8
107.08591	11.7
108.04465	2.3
109.06527	9.9
109.10159	46.5
111.04433	0.9
111.08041	1.1
113.02525	1.9
115.02101	1.8
117.07019	3.3
119.04937	4.3
119.08584	20.3
120.08096	1.0
121.06520	1.7
121.10122	4.6
123.04425	4.1
123.08075	12.8
123.11696	2.2
131.08606	2.2
133.02841	8.5
133.06519	2.3
133.10138	26.5
134.06038	1.9
135.04387	1.1
135.11688	3.5
136.02251	1.1
137.06070	1.2
137.09628	14.3
144.68947	0.9
147.04404	4.6
151.03917	3.5
151.11176	2.0
151.14795	7.1
152.07079	1.2
161.02364	2.1
161.05956	1.7
161.09602	4.2
161.13266	5.4
162.09093	1.9
164.03984	1.5
179.01855	3.1
179.03383	15.8
179.06424	8.7
179.08415	2.1
179.10678	9.0
179.14308	31.3
180.06538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.49707	1.0
53.03947	5.7
54.88287	1.1
55.01877	8.9
55.05260	1.6
55.05511	29.4
57.03416	4.2
57.07050	1.2
65.03922	4.5
67.05504	100.0
69.03402	2.6
69.07065	13.9
71.04977	2.8
71.63042	1.1
77.03934	1.2
78.14317	1.0
79.05492	64.0
81.03415	20.3
81.07055	93.6
81.87910	1.2
83.04981	32.5
83.08613	12.8
85.06547	2.3
91.04893	1.3
91.05479	46.7
93.07043	43.3
95.04971	12.2
95.08604	71.1
97.06533	32.6
97.10162	3.3
97.71429	1.1
98.20770	2.4
98.21458	3.7
98.62167	1.2
99.08085	2.0
105.04517	1.2
105.06380	2.0
105.07027	23.8
107.08592	9.2
109.06496	6.6
109.10146	16.0
111.08074	7.8
113.09662	7.9
117.06979	1.2
119.08578	32.0
121.10156	5.8
123.08074	4.6
131.08562	1.2
133.10135	22.9
134.06052	1.6
135.11694	7.3
137.09595	2.0
151.03888	1.5
151.14806	1.2
161.09546	1.4
161.13252	15.8
162.09177	1.6
164.04074	1.7
175.40784	1.1
179.03369	6.3
179.06383	11.9
179.08478	2.5
179.10628	2.5
179.14305	54.7
180.14621	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03939	2.9
55.01864	2.5
55.05514	8.1
57.03436	7.6
57.07063	1.9
59.04984	1.3
67.05506	41.3
69.03413	3.0
69.07074	10.5
71.05009	5.7
71.58415	1.4
79.05495	32.2
81.03391	1.9
81.07059	96.1
83.04983	6.1
83.08611	4.2
85.06536	9.1
91.05485	30.2
92.05790	0.9
93.07052	39.6
95.04960	4.3
95.08609	73.9
97.04794	1.6
97.06533	17.8
99.08086	8.3
105.07033	36.8
107.08591	19.7
109.06517	7.1
109.10149	5.2
110.18700	1.0
111.08076	5.8
113.09657	1.3
117.06938	2.1
119.04960	1.7
119.08582	57.7
120.08897	1.1
121.10148	15.6
123.08072	10.0
123.11743	1.9
131.08531	1.4
133.02838	1.8
133.06467	1.0
133.10132	39.4
134.06068	1.4
135.11699	35.9
136.02148	2.2
136.34930	1.0
137.09601	5.3
137.13246	2.4
142.03395	1.0
147.04416	1.6
151.11166	2.9
151.14772	1.4
154.45976	1.1
161.05956	1.2
161.09630	2.3
161.13260	93.5
179.02003	1.4
179.03427	5.1
179.06291	5.3
179.10841	5.2
179.14316	100.0
182.05365	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.06366	1.2
53.03936	5.0
54.04275	2.1
55.01877	7.4
55.05509	12.4
56.05847	2.2
57.03435	8.5
57.07060	2.6
58.99583	1.5
59.04982	2.2
63.14738	1.0
65.03940	2.7
67.05505	39.6
69.03450	5.4
69.07074	11.0
71.05003	7.9
71.58411	1.5
71.99090	2.6
72.99452	1.3
76.02228	3.3
79.03786	1.0
79.05491	37.4
81.07056	89.4
82.53790	1.0
83.04976	7.6
83.08619	4.2
84.08143	1.7
85.01118	1.2
85.06528	7.4
86.01483	2.0
87.00703	1.7
88.01012	1.1
88.03005	2.0
89.02278	1.1
90.02610	1.5
91.05481	49.0
93.07044	44.2
95.04968	9.6
95.08606	77.7
96.04480	3.8
96.21639	1.1
97.02881	1.2
97.04270	1.1
97.04811	6.5
97.06532	23.5
98.09692	1.2
98.98466	1.7
99.08102	7.8
103.05439	2.4
105.03377	1.4
105.07031	73.8
106.02102	1.3
106.06557	1.5
107.04947	2.2
107.08592	23.1
108.04475	4.3
109.06517	10.8
109.10166	5.8
111.08074	4.9
112.02205	1.1
113.02545	3.2
114.01756	1.8
115.02105	3.0
115.04086	3.6
117.06998	3.8
119.04948	12.9
119.08579	66.1
120.08083	2.0
121.06473	3.5
121.10141	17.4
123.04425	4.5
123.08064	18.9
123.11727	3.2
131.08551	2.7
133.02826	3.0
133.06465	3.6
133.10127	65.2
133.58582	1.2
134.05977	2.6
135.11693	33.4
136.02173	1.9
137.05949	2.0
137.09610	7.3
137.13249	3.5
143.08588	1.1
147.03392	1.5
147.04430	13.1
151.03923	2.1
151.07561	2.4
151.11165	5.5
152.07057	1.7
161.04692	1.2
161.05988	5.1
161.09631	6.9
161.13254	82.6
162.05492	1.3
162.13565	1.8
164.04041	2.0
179.01869	6.4
179.03412	11.6
179.06477	10.4
179.08452	2.1
179.08916	1.7
179.10683	11.9
179.14311	100.0
180.08128	1.1
180.10237	1.4
180.14641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	3-Phenylpropyl acetate
Peak:m/z	Relative Intensity
53.03948	2.0
54.04290	1.1
55.01871	2.3
55.05511	6.6
56.96573	3.0
57.03440	2.0
57.07076	1.1
65.03944	1.6
67.05508	18.0
69.03438	2.0
69.07066	4.6
70.36058	1.8
70.36398	0.6
70.98097	0.8
71.04994	10.4
77.03936	0.8
79.05495	29.1
81.03421	6.9
81.07060	9.4
83.04974	6.0
84.06123	0.6
85.02888	1.0
85.06544	1.1
88.03053	0.6
88.99148	0.7
89.02261	0.6
91.05484	100.0
92.05817	1.6
93.03392	1.1
93.07051	10.1
95.04974	16.1
95.05555	1.3
95.08608	6.4
95.86117	0.6
96.04503	1.2
97.02895	5.8
97.04813	1.8
97.06535	4.1
98.20729	0.7
98.21239	0.7
99.04452	1.2
103.05463	1.5
105.03412	1.0
105.04484	1.1
105.07034	36.5
107.04942	4.2
107.08597	3.7
108.04485	2.5
109.06517	2.3
109.10162	2.4
111.04420	0.9
111.08093	1.2
113.02473	0.6
113.06015	2.1
115.02126	0.7
115.05458	1.8
117.07018	21.9
119.04934	2.2
119.08584	89.7
120.08936	1.9
121.06515	1.1
121.10159	1.4
123.04446	2.4
123.08071	2.0
123.11709	1.6
127.03974	0.7
128.06213	4.4
131.08562	3.1
133.02861	3.4
133.06523	3.4
133.10135	34.8
134.06004	0.9
135.01999	0.6
135.08067	2.9
135.11743	1.2
137.09610	2.8
143.08562	8.0
144.02567	1.0
147.04465	2.9
149.09711	1.1
151.03952	0.6
151.07549	1.2
151.11171	2.3
152.07085	0.8
161.02458	0.6
161.05975	1.6
161.09630	18.1
161.13274	2.4
162.05504	0.8
163.03929	4.1
164.04152	1.5
179.01936	1.2
179.03391	7.8
179.06360	8.6
179.08455	1.4
179.08974	1.1
179.10661	27.8
179.14259	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	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03944	1.8
55.01870	3.1
55.05514	6.2
57.03440	1.1
57.07059	1.7
59.04992	1.3
64.82049	0.5
65.03935	1.1
67.05508	8.8
69.03429	4.1
69.07069	1.9
70.06611	0.5
71.04988	1.3
71.57870	0.5
71.99105	0.8
73.02921	0.9
76.02227	1.7
77.03902	0.6
79.05493	12.9
81.03415	1.5
81.07057	19.6
83.04981	1.4
83.08617	0.6
84.08154	0.7
88.77332	0.5
91.05482	28.5
93.07045	21.9
94.06616	0.6
95.04977	7.2
95.08609	16.8
97.02901	1.5
97.06535	1.6
98.98486	0.6
99.04444	1.2
103.05470	2.7
105.07033	92.6
106.06586	1.1
106.07386	1.6
107.04941	1.7
107.08596	14.7
108.04478	1.5
109.06515	5.2
109.10152	5.5
111.04438	0.6
115.05486	1.2
115.19146	0.5
117.07037	2.4
118.07813	1.5
119.04935	7.9
119.08585	10.0
120.69932	0.6
121.06532	2.9
121.10140	2.2
123.04433	2.4
123.08072	13.4
123.10886	0.8
123.11695	4.1
125.05986	0.7
127.07559	1.3
128.06235	1.0
131.08562	5.5
133.02864	0.9
133.06497	2.4
133.10133	100.0
134.06030	0.9
134.10457	2.5
135.08026	1.5
135.11711	3.2
136.02177	0.7
137.06000	6.8
137.09613	3.4
143.08548	1.9
146.07266	1.7
147.04424	13.8
151.03923	0.5
151.07555	1.0
151.11183	6.2
151.14810	0.9
152.07059	0.8
161.06035	1.0
161.09624	14.1
161.13322	2.6
162.05455	0.6
164.04039	1.2
178.07841	0.7
179.01918	0.7
179.03409	6.6
179.06345	10.0
179.08405	1.0
179.10669	15.7
179.14268	5.7
180.06592	0.9
180.08118	0.9
180.10075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03942	1.6
54.04280	0.4
55.01870	1.4
55.05510	3.6
57.03427	0.7
57.07077	0.7
58.99577	0.4
59.04992	0.4
65.03945	0.5
66.11301	0.3
67.05503	5.5
69.03440	1.4
69.07066	0.7
70.34224	0.7
70.34614	0.7
76.02236	1.1
77.03912	0.5
79.05498	8.0
81.07063	7.2
83.04984	1.0
87.00719	0.4
91.05484	19.4
93.06470	0.5
93.07050	8.5
95.04990	3.2
95.08611	18.0
96.04462	0.5
97.02912	0.4
97.04852	1.0
97.84798	0.4
98.21033	0.7
98.98482	0.7
103.05471	3.0
104.93610	0.4
105.07035	100.0
106.06641	0.5
106.07371	1.2
107.04956	0.5
107.08595	6.5
108.04463	0.9
109.06508	2.5
109.10162	1.7
113.02554	0.5
114.01768	0.5
115.02156	0.4
115.05457	1.5
117.07022	2.0
118.07790	1.9
119.04934	2.5
119.08588	9.7
120.09342	0.4
121.06540	1.1
121.10161	0.8
123.04432	1.4
123.08073	18.8
123.11706	6.0
124.07610	0.4
128.06224	0.6
131.08582	6.1
133.02855	1.2
133.10135	87.5
134.06035	0.7
134.10558	1.8
135.08057	2.1
135.11729	1.5
136.02206	0.5
136.05133	0.4
137.06003	1.5
137.09581	1.9
143.08594	0.8
146.07227	0.4
147.04420	2.7
151.03906	0.4
151.11206	4.6
152.07141	0.5
155.68904	0.3
161.05937	0.6
161.09619	5.9
161.13290	1.3
162.09145	0.5
164.03983	0.7
174.38470	0.4
179.01877	1.1
179.03406	4.3
179.06468	2.5
179.08382	0.8
179.10669	9.0
179.14288	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03941	0.7
55.01872	1.2
55.05513	3.5
57.03436	0.4
57.07078	0.6
58.99583	0.7
65.03947	0.4
67.05506	5.8
69.03431	1.2
69.07038	0.6
70.14725	1.3
70.15131	0.6
71.05007	0.5
74.73908	0.4
76.02223	2.1
77.03909	0.5
77.21478	0.3
79.05496	6.7
80.05016	0.3
81.03439	0.7
81.07063	7.0
82.18292	0.3
83.04962	0.6
91.05481	16.4
93.07045	8.6
95.04967	3.2
95.08609	16.3
97.06522	0.3
98.21426	0.4
103.05464	2.5
104.95251	0.3
105.07031	100.0
106.06585	0.6
106.07331	1.0
107.08601	6.9
108.04501	0.6
109.06539	2.5
109.10145	2.0
115.05450	1.1
116.01710	0.5
116.06167	0.3
117.07023	2.6
118.07800	2.2
119.04940	1.5
119.08576	10.3
121.06500	0.9
121.10144	1.2
123.04404	0.4
123.08071	17.8
123.11712	6.5
128.06236	0.8
131.08582	5.8
133.10132	89.2
134.10413	0.8
134.10634	0.8
135.08072	0.8
135.11694	1.3
137.05986	1.2
137.09631	1.5
143.08534	0.6
146.07242	0.5
147.04405	1.4
151.07440	0.4
151.11165	3.6
155.28185	0.3
158.59450	0.4
161.06018	0.7
161.09613	5.2
161.13263	0.8
164.03970	0.5
179.03421	1.9
179.06450	1.7
179.08392	0.5
179.08940	0.4
179.10680	8.0
179.14252	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03949	1.2
55.01870	1.2
55.05513	3.8
56.02348	0.5
56.05841	0.4
57.07061	0.4
59.34180	0.4
60.59874	0.4
67.05514	4.7
69.03433	1.3
70.84103	1.2
79.05496	7.3
81.07059	6.6
84.45077	0.4
88.01020	0.5
91.05482	16.4
92.06295	0.4
93.07050	10.1
95.04991	2.1
95.08604	16.8
103.05457	2.5
104.06247	0.6
105.07032	100.0
106.07339	0.9
107.04991	0.5
107.08588	8.0
108.04493	0.5
109.06532	1.7
109.10164	1.5
115.05476	1.4
116.06203	0.6
117.07033	2.2
118.07829	2.0
119.04959	1.4
119.08582	8.7
119.85188	0.5
121.06524	0.4
123.08074	17.4
123.11703	5.3
126.22203	0.5
127.07580	0.5
128.06253	0.5
131.08578	5.4
131.09483	0.5
133.10132	85.7
134.10606	1.3
135.11694	1.6
137.05997	1.7
137.09628	1.3
143.19472	0.4
146.07295	0.5
147.04443	1.5
151.03943	0.5
151.11172	3.8
161.09624	6.1
179.01886	1.0
179.03372	1.6
179.06631	0.8
179.10680	8.2
179.14301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	14.5
60.27898	17.1
62.98251	55.9
70.73634	44.1
70.73985	20.8
78.95639	35.8
84.08192	29.4
88.99826	23.8
97.13682	20.6
115.02437	33.4
118.97205	42.8
121.59590	16.1
132.98764	31.9
133.01674	48.5
133.03465	100.0
151.04529	33.4
156.05107	44.6
178.99292	73.5
179.07840	18.8
196.17987	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	178.9928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67346	3.1
58.33264	3.1
62.98260	100.0
70.06570	4.0
71.22767	6.7
73.63979	2.7
84.08115	7.9
88.99793	52.5
100.02504	3.1
101.00921	2.8
104.99261	3.8
116.99274	6.4
118.97189	81.2
119.01916	19.6
132.98744	37.4
133.01707	7.9
133.03484	12.5
137.02913	5.4
137.97017	3.4
151.04543	4.1
152.07025	3.1
156.02121	3.2
156.03265	4.5
156.05072	7.7
160.98244	15.5
161.02982	4.2
174.50291	3.1
178.99289	95.1
179.01819	4.2
179.03954	4.4
179.07921	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	178.1228
Annotation	Valerianine
Peak:m/z	Relative Intensity
52.27993	0.3
62.89555	0.3
70.53612	1.1
70.99576	0.8
73.46641	0.3
79.21591	0.3
80.05034	0.4
81.42383	0.3
85.39980	0.4
87.02701	0.5
89.03922	0.6
90.04246	0.7
91.05498	2.0
92.05035	0.5
94.06573	0.3
105.07043	0.6
107.08569	0.7
113.17191	0.3
114.03774	1.0
115.05495	0.4
117.03424	0.4
117.05881	0.4
117.07028	1.7
118.03734	1.6
118.06554	8.3
118.96740	0.5
119.04956	0.9
119.07340	9.6
130.03253	1.8
132.08099	0.9
134.09663	59.9
135.09985	1.3
136.07571	3.4
146.03203	2.7
150.06313	0.5
160.11203	0.8
162.09167	2.2
163.09952	1.1
177.98064	0.4
178.12282	100.0
179.03459	0.6
179.12611	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.98157	0.7
53.03949	4.3
54.04252	0.7
55.01875	5.0
55.05507	6.1
57.03428	2.0
61.01126	0.7
65.03927	2.2
67.05506	29.0
67.05869	1.5
69.03430	4.4
69.07065	6.7
71.04990	1.0
71.19260	1.3
75.39899	0.9
77.03941	0.7
79.05493	38.7
79.05957	1.9
81.03410	3.5
81.07059	41.1
83.04971	8.4
83.08631	4.4
85.01154	1.6
85.06522	1.1
86.01460	1.6
87.02702	0.8
89.03919	10.5
91.05479	47.2
92.05769	0.8
93.07047	50.3
94.07370	0.7
95.04973	11.7
95.08618	11.0
96.04482	2.7
97.04821	1.7
97.06529	12.8
98.98466	11.6
99.08081	2.3
103.05444	1.7
105.07031	30.0
106.04222	1.1
107.04938	2.8
107.08596	19.8
109.06522	6.9
109.10136	1.6
111.08070	2.9
112.02179	1.8
113.02531	1.8
115.05465	2.1
116.06239	1.1
117.03384	15.8
117.07021	37.2
119.08594	7.9
121.06496	3.4
121.10140	16.0
123.08076	1.2
124.05083	0.8
129.07005	2.6
131.04865	0.8
131.08571	51.1
132.08902	1.4
133.10130	59.7
134.03625	3.8
135.04391	2.6
135.08049	7.2
135.11691	15.2
135.65958	0.8
136.12022	0.8
137.09625	1.7
144.09398	0.9
145.02841	21.4
149.02350	2.4
149.05989	7.3
149.09625	5.9
149.13272	14.5
153.09105	0.9
157.10028	1.9
159.08047	2.0
159.11696	66.2
160.12024	2.0
161.09534	1.0
163.03906	0.8
177.02254	1.8
177.05478	8.5
177.09218	10.5
177.12747	100.0
178.13109	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.22374	0.5
53.03961	0.8
55.01878	0.6
55.05513	1.8
63.02378	1.2
64.60573	0.6
65.03954	0.8
67.05510	3.2
69.07072	1.4
70.42394	1.9
78.04703	4.4
79.05496	5.0
81.07064	3.4
83.08639	0.6
86.01477	0.9
87.02701	0.9
87.51203	0.5
88.02206	1.2
89.03925	47.4
89.93433	0.4
90.04230	0.5
91.05489	5.5
92.84455	0.5
93.07056	7.2
95.04984	1.4
95.08624	4.3
96.04484	0.5
96.70635	0.5
97.04826	1.0
97.10188	0.5
98.20922	0.8
98.21474	0.6
98.98465	7.4
103.05473	1.7
105.03384	0.5
105.07028	1.2
106.04176	3.1
107.08606	4.3
109.10168	2.0
112.02235	0.7
113.02535	0.9
117.03388	86.0
118.03725	1.6
119.04910	1.0
121.06546	1.6
121.10165	7.8
124.05233	1.8
125.65063	0.5
129.04637	0.6
131.08545	1.2
134.03653	10.2
135.04439	6.8
135.08041	0.8
135.11662	3.2
145.02858	100.0
146.03186	1.9
149.02348	1.7
149.05992	24.9
153.93668	0.6
158.06033	3.0
159.08133	0.8
159.11717	1.1
160.38898	0.5
162.03119	2.1
163.03899	2.3
177.02286	1.2
177.05479	29.1
177.10327	0.7
177.12720	2.7
177.16379	4.0
186.05489	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03944	0.6
63.02385	1.1
69.15804	0.4
69.84957	2.7
78.04710	3.0
88.03152	0.4
89.03917	45.0
91.05466	2.9
93.07047	0.6
95.04974	1.0
98.59369	0.4
101.96809	0.4
103.05470	1.5
105.03393	0.5
105.84595	0.5
106.04196	2.9
117.03378	76.8
118.03675	0.9
119.04895	0.5
121.06525	0.4
122.55276	0.4
129.04445	0.4
134.03642	9.3
135.04420	5.3
140.08044	0.4
145.02846	100.0
146.03172	0.8
149.05981	24.3
150.06354	0.5
162.03140	3.4
163.03908	3.7
177.05467	30.4
178.05765	0.5
178.20418	0.5
186.05516	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.81637	0.5
53.03922	0.5
54.04576	0.5
55.58115	0.6
63.02373	0.8
70.73570	1.5
78.04731	2.9
89.03920	51.3
91.05502	2.7
93.07040	0.9
95.04959	1.2
103.05464	2.2
106.04175	4.4
117.03381	80.3
118.03711	1.1
119.04911	0.7
130.03203	0.7
134.03641	10.8
135.04424	5.9
145.02847	100.0
145.35770	0.6
146.03152	1.7
149.05984	26.5
158.06013	0.6
160.87569	0.5
162.03104	2.6
163.03925	3.1
177.05475	32.9
186.05533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.32177	0.5
53.03941	0.9
55.01873	0.7
55.05508	0.6
56.05850	0.5
57.55730	0.4
63.02369	1.6
67.05509	0.4
69.07081	0.7
69.69524	1.7
69.69936	1.1
78.04714	3.2
79.05492	1.9
79.38630	0.5
81.07042	1.0
85.01138	0.7
86.01465	0.6
86.75846	0.4
88.02212	0.8
89.03921	49.2
90.04260	0.8
91.05486	4.5
93.07051	2.4
95.04963	1.2
95.08585	1.1
96.04488	0.9
97.04847	0.9
98.21008	1.6
98.98470	5.8
103.05489	1.5
105.03383	0.5
105.07045	0.8
106.04180	2.5
107.08575	1.3
109.10163	0.5
112.02161	0.7
113.02534	0.7
117.03381	83.0
118.03695	1.1
119.04916	0.6
121.02827	0.4
121.06487	1.1
121.10162	2.5
122.06062	0.5
124.05218	1.6
131.06879	0.5
131.08525	0.7
133.06529	0.7
134.03644	10.7
134.04668	0.4
135.04427	6.8
135.08066	0.5
135.11667	0.5
145.02849	100.0
146.03180	2.1
149.02327	1.3
149.05995	24.7
149.07074	1.3
149.13350	0.4
153.93636	0.9
158.06020	3.1
159.08049	0.9
162.03169	1.1
163.03862	2.6
177.02295	1.6
177.05470	28.2
177.08998	1.2
177.12756	2.8
177.16400	1.3
178.05794	0.5
186.05524	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	177.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72722	0.4
54.98621	0.6
56.96283	0.9
56.96564	12.4
67.58468	0.4
70.75060	1.2
71.95252	2.6
85.41658	0.4
89.03880	0.9
94.84944	0.4
98.97587	100.0
105.02256	0.7
109.29351	0.5
113.00879	2.3
116.98626	69.5
117.03373	1.9
117.98997	0.5
119.01975	0.6
121.01674	1.9
131.00218	0.5
131.01904	11.6
134.99661	34.4
135.03212	2.0
140.00204	1.9
145.01889	0.4
145.02737	2.1
149.02971	1.8
149.05974	0.8
151.00626	0.6
153.00714	4.3
154.03506	4.6
156.81708	0.4
158.01306	0.8
172.04610	0.5
173.02948	0.9
177.00801	3.1
177.02139	0.5
177.04291	1.8
177.05609	0.8
195.01686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01598	0.5
51.34153	0.5
53.03941	1.7
55.05505	1.3
61.01127	0.7
63.02368	1.4
66.27586	0.5
67.05504	0.8
69.07067	1.0
69.96088	1.6
69.96504	1.1
77.96333	0.5
78.04714	3.2
79.05480	1.9
81.07065	1.0
85.01138	0.9
86.01447	0.8
86.07349	0.6
87.02708	0.8
88.03054	0.9
89.03915	47.2
90.04263	0.9
91.05474	6.3
93.07050	2.5
95.04952	1.5
95.08600	0.8
96.04523	1.1
97.04827	1.7
98.98467	4.6
100.08344	0.7
103.02177	0.8
103.05476	1.9
105.03399	0.8
105.07007	2.6
106.04176	4.6
107.05026	0.6
107.08603	3.1
112.02232	0.6
113.02525	1.6
117.03381	80.2
117.06994	1.1
118.03757	0.7
119.04964	1.0
119.08566	1.2
121.06512	1.6
121.10137	3.3
124.05196	1.5
129.06958	0.6
131.08556	2.2
134.03642	10.1
135.04428	6.2
135.08051	1.3
135.11708	1.1
144.09288	0.7
145.02846	100.0
146.03145	1.5
147.90048	0.6
149.02341	1.5
149.05984	28.5
149.09607	2.5
149.13268	0.7
158.05988	0.8
159.11699	1.9
162.03125	2.3
163.03874	3.0
177.02286	1.8
177.05473	30.9
177.08998	1.6
177.12762	5.5
177.14346	0.8
177.16380	1.8
186.05490	2.0
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	1.8
55.05510	4.4
57.07072	0.8
61.01151	1.3
62.99065	0.7
65.00639	0.9
67.05513	1.4
69.03421	0.4
69.07069	10.8
70.06610	0.3
71.19662	0.5
71.99078	0.5
78.03475	0.9
79.05506	2.3
81.07057	4.7
83.08620	2.4
85.01138	2.8
87.02712	2.2
91.05485	8.9
93.07037	2.7
95.04937	0.5
95.08611	3.7
96.04510	3.6
98.20962	0.6
98.98472	6.3
99.47990	0.3
100.02171	0.5
101.04228	0.7
103.02165	1.6
103.05447	0.5
105.07036	22.6
106.07372	0.3
107.08593	4.4
108.42522	0.3
108.96928	0.4
112.02193	3.7
114.77691	0.3
115.05448	0.6
117.03702	0.5
117.07036	3.2
119.08585	58.1
120.08908	1.0
121.10168	1.5
129.07034	1.1
130.06491	0.5
131.08571	4.4
132.09396	0.4
133.10135	56.4
134.10764	0.6
141.07056	0.4
142.07796	1.4
144.09351	1.1
145.06467	0.4
145.10126	12.4
146.10852	1.0
147.11693	25.9
148.12050	0.7
157.04262	0.9
157.10123	1.3
159.11682	4.7
160.08846	0.4
160.12482	8.8
161.13220	1.3
162.59543	0.4
173.13281	1.7
175.11293	2.6
175.14830	100.0
176.02010	2.9
176.15210	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03937	1.9
54.59079	1.1
55.05510	10.5
67.05499	3.7
69.07068	12.3
70.49300	2.4
70.49664	2.4
79.05482	4.8
81.07054	18.5
83.08620	5.3
91.05473	17.4
93.07047	9.2
95.08612	11.2
98.98483	2.4
103.05463	1.7
104.37838	1.0
104.38640	1.1
105.07035	56.5
105.69135	0.9
107.08595	9.2
109.10204	1.0
115.05453	1.3
116.39756	1.3
117.07013	4.2
119.08584	94.3
121.10155	1.8
131.08553	11.2
133.10133	57.2
134.10530	1.0
135.44202	1.4
144.89948	1.0
145.10143	5.7
146.10898	5.4
147.11696	17.2
151.86772	1.0
153.97560	1.0
160.12535	1.3
173.13225	3.7
175.14836	100.0
176.15135	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	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
57.63440	0.5
60.05650	36.3
70.06592	100.0
70.98962	1.0
71.04984	1.8
71.06917	0.6
72.08160	4.2
73.02965	0.4
84.08148	1.9
88.07626	0.7
97.07654	1.0
98.06074	0.8
98.20960	0.5
103.02457	0.5
105.89944	0.5
112.07597	0.5
112.08736	4.2
113.07124	0.6
114.10255	0.8
115.08714	1.1
116.07094	29.0
119.01910	2.3
129.82608	0.5
130.08755	0.8
130.09758	12.4
132.02077	0.6
133.03490	1.8
137.02943	0.6
145.03491	0.8
151.04550	0.5
157.10822	1.1
158.09244	7.0
159.07605	0.6
167.46317	0.5
175.04517	1.8
175.11914	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03952	2.1
55.05514	9.9
57.07080	1.0
58.99594	0.6
61.01144	2.0
62.99094	1.0
65.00634	0.8
67.04227	0.5
67.05515	2.5
68.05041	0.7
69.03417	1.0
69.07070	19.8
69.75894	0.9
69.76309	2.0
70.06592	1.5
76.87910	0.5
78.03461	0.7
79.05485	2.7
79.99822	0.6
81.07063	8.1
83.08618	4.8
85.01124	4.0
87.02700	3.6
91.05483	9.9
91.06012	1.0
93.07031	3.4
95.08613	6.9
96.04500	5.0
98.21175	1.6
98.98467	12.2
101.04305	0.7
103.02169	2.3
103.05443	1.1
105.07031	24.8
106.07355	0.5
107.08605	6.7
112.02197	7.6
115.05467	1.9
117.03764	0.8
117.07023	4.3
118.07784	0.6
119.08583	90.9
120.08914	1.5
121.10149	2.2
123.08087	0.6
129.07030	0.6
131.08559	5.2
132.05678	0.6
132.09331	0.7
133.10133	84.9
134.10410	1.3
135.11699	0.6
145.10112	7.5
146.10892	1.4
147.08041	0.8
147.11682	12.0
159.11739	1.0
160.05232	2.0
160.12500	5.1
173.13222	2.6
175.07527	3.8
175.14827	100.0
176.02025	4.5
176.15158	2.0
179.50168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.93642	1.2
51.28126	1.4
51.97144	1.3
53.03946	10.1
54.88909	1.2
55.05506	6.9
57.03434	20.9
60.05652	1.5
61.01156	6.9
61.02934	1.6
62.99082	2.2
65.00639	2.5
65.03922	2.2
67.05505	11.5
68.05006	2.2
69.03422	4.8
69.07067	1.5
70.06577	4.2
70.13517	1.2
71.04985	1.6
71.11086	2.3
71.99101	2.1
72.57201	1.5
78.03441	1.7
79.05510	9.2
81.03371	1.4
81.07037	6.5
83.04966	1.6
85.01150	10.1
87.02704	10.2
91.05485	31.7
92.90034	2.2
93.07036	4.9
95.04979	9.6
95.08590	2.6
96.04498	14.4
97.02862	2.3
98.98468	69.8
101.04214	2.0
103.02181	6.8
103.05452	3.1
105.07029	31.6
107.04947	7.6
107.08588	2.4
112.02184	14.8
115.03911	1.9
115.05442	2.2
116.07057	1.8
116.99493	1.9
117.03699	4.3
117.07000	8.0
119.04934	2.1
119.08579	84.7
120.08873	2.0
121.06497	5.6
122.10569	1.5
127.03837	1.6
128.06171	3.0
129.06995	10.4
130.06520	4.6
131.04927	3.2
131.08597	8.4
132.05679	2.3
133.06488	28.6
133.10138	17.6
135.08070	1.5
142.07793	7.7
142.79897	1.3
145.06462	7.5
145.10101	2.2
146.07263	29.2
147.08047	58.1
147.11685	19.1
151.93922	4.9
157.04289	1.6
157.06439	2.4
157.07547	2.3
157.10141	8.9
160.08798	9.2
175.07545	9.8
175.11180	100.0
175.14745	15.4
176.02000	12.1
176.11493	1.8
176.14345	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	174.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	25.9
62.00677	26.1
70.02773	0.6
76.02230	3.1
79.91901	0.6
86.09694	2.5
90.03772	4.2
98.21117	3.6
98.98444	1.6
106.51005	0.6
110.35623	0.6
113.80482	0.6
118.06883	46.1
130.53320	0.7
132.08398	10.7
155.88660	0.6
173.70831	0.5
174.13123	100.0
175.13481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03946	5.2
55.05502	2.7
56.96557	1.7
57.03439	100.0
61.01141	2.9
62.99057	1.2
65.00632	1.2
67.05505	1.4
68.05039	1.3
68.77944	0.8
69.03417	1.9
69.07059	1.6
69.95789	3.4
70.06583	1.5
71.05015	1.0
71.99065	1.5
76.61948	0.8
78.03443	1.5
79.05512	1.3
81.07079	1.4
81.96098	0.7
85.01131	6.9
87.02695	4.1
91.05479	12.1
93.07071	1.2
96.04493	7.6
96.89581	0.9
98.20985	2.3
98.21533	0.9
98.98468	31.5
101.04237	1.4
103.02145	2.7
105.07014	6.7
107.08607	1.4
112.02177	10.3
115.03959	1.0
116.99461	0.8
117.03712	1.9
117.07034	5.2
119.08583	53.4
129.07001	2.9
130.06531	1.1
131.08565	1.7
133.06503	1.6
133.10155	4.5
142.07771	2.0
145.10097	1.1
146.07259	1.4
147.08063	4.2
147.11652	2.9
151.93915	1.4
157.04279	1.2
157.10107	2.8
175.07468	1.5
175.11185	35.7
175.14742	5.5
176.02011	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
54.47041	0.7
55.01879	0.6
55.05259	0.9
55.05510	13.1
56.96559	3.2
57.07040	0.8
58.15405	0.5
59.04991	2.0
60.91932	0.5
66.12701	0.6
67.05501	3.7
67.77799	0.5
70.14171	1.8
70.14547	1.2
72.93785	6.1
79.05479	2.0
81.02966	0.6
81.07050	2.2
83.04981	12.9
83.77129	0.5
86.09699	1.3
87.04469	1.3
89.02386	1.0
90.90404	0.6
90.94822	3.8
91.05481	9.7
93.07069	0.9
93.33596	0.6
98.21014	1.4
99.04493	0.8
101.06031	7.6
103.03298	0.8
105.07031	8.8
108.91612	0.6
108.95884	1.4
111.04441	14.2
113.05988	0.9
113.96352	1.0
115.05437	2.1
116.06246	2.3
117.07025	5.1
119.08581	12.6
127.07533	2.2
128.06218	1.7
128.98631	0.8
129.05504	5.1
129.06990	8.4
130.07796	2.9
131.08568	67.6
132.08936	1.0
133.10101	2.5
142.07764	1.0
143.08554	20.4
144.09357	7.7
145.06544	2.9
145.07468	0.7
145.10123	26.4
146.05991	1.4
146.10442	0.9
149.96114	2.4
155.04997	0.7
155.07040	10.2
156.09357	1.6
157.10162	1.0
158.10912	35.9
162.99072	0.7
167.97160	1.5
171.11719	1.6
173.05937	2.1
173.08171	11.9
173.13263	100.0
174.13603	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03930	0.7
55.05510	14.7
55.93517	0.7
57.03431	0.6
57.07073	2.5
58.07408	1.0
59.02585	0.6
59.04998	2.4
65.03948	0.9
67.05501	2.4
69.03416	0.6
69.07067	1.1
71.57696	0.8
72.93788	12.2
74.06088	0.9
76.02230	1.4
79.05493	1.8
81.07053	2.6
83.04978	15.1
83.05452	1.0
84.04512	0.7
85.02856	0.5
85.06523	0.7
86.06029	0.6
87.04487	1.5
88.07631	3.2
89.02386	1.1
89.07957	1.8
90.90387	7.9
90.94830	9.4
91.05476	11.2
93.07050	0.7
95.08588	0.7
98.20919	0.7
98.42316	0.5
99.00838	0.9
99.04451	0.9
100.07658	0.7
101.06019	10.0
102.09198	1.0
103.03309	2.6
103.05474	0.7
103.09528	2.3
105.07031	11.7
108.95856	3.3
110.59194	0.5
111.04444	16.2
113.06024	1.4
113.96384	2.1
115.05467	2.0
116.06208	2.6
117.07014	8.1
118.06535	0.7
119.07772	1.0
119.08583	12.1
127.07548	1.8
128.06221	1.5
129.05501	8.2
129.07007	8.4
130.07799	3.5
131.08566	76.9
131.93001	1.2
131.97415	1.6
132.06604	0.5
132.07982	0.7
132.08867	1.4
133.10127	2.3
135.80733	0.5
137.03436	0.5
142.07779	1.2
143.08559	20.4
143.09679	1.1
144.09341	7.1
145.06516	1.1
145.07640	0.8
145.10121	27.0
145.11285	1.3
149.94040	7.7
149.96057	3.6
155.07051	11.2
155.08366	1.2
156.09377	1.6
157.10197	1.1
158.07242	2.2
158.10910	34.2
159.11569	1.2
167.97192	3.8
171.11697	2.7
172.95671	1.4
173.08197	16.7
173.09682	6.5
173.13263	100.0
173.17308	15.5
174.12614	0.6
174.13686	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(1alpha,4alpha,7S*)-5-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
53.03933	1.8
55.01857	4.9
55.05509	14.3
56.96559	1.1
57.03428	1.7
57.07058	2.2
59.04986	1.5
67.05173	1.6
67.05505	25.5
69.07050	4.1
71.01333	4.6
71.04987	7.2
73.11903	1.2
79.05495	14.9
81.03410	2.7
81.07057	48.7
83.04967	3.7
83.08628	9.7
85.06531	2.6
85.94600	1.2
87.63655	1.0
91.05475	12.6
93.05789	1.2
93.07064	5.5
95.04968	3.0
95.06089	1.6
95.08595	4.4
97.10162	1.1
105.07052	6.8
105.07657	1.4
107.08589	7.6
109.06504	2.4
109.10136	5.2
111.08076	2.1
123.08085	1.3
123.11695	8.0
124.07576	2.8
128.95149	2.2
133.10115	3.5
133.90099	1.0
140.93831	1.4
141.05415	3.8
141.06985	7.2
142.08604	1.2
145.96535	1.2
146.96211	1.9
151.03923	1.7
151.08694	1.8
152.07100	2.9
154.07802	8.7
163.97667	1.1
169.05016	2.1
169.10144	17.5
169.12241	100.0
170.08099	2.8
170.09647	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	168.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.8
67.92511	7.2
70.55424	3.1
82.94843	13.1
84.41264	0.8
84.99599	0.9
85.93546	1.2
85.97279	4.9
91.78046	0.7
94.06564	1.5
98.21283	1.5
100.02482	1.6
102.02263	1.9
102.99940	1.4
103.00634	21.6
103.01226	0.8
103.98331	26.8
104.00949	10.1
104.01543	1.2
115.01189	1.3
117.02183	2.1
118.03526	1.7
119.01916	1.0
120.02061	2.8
121.01672	100.0
121.99377	90.8
122.00076	0.9
122.01963	37.9
122.06013	1.0
122.99438	1.9
123.02116	1.4
123.97441	8.2
126.02193	2.4
126.93775	6.4
126.99905	3.1
127.02512	3.1
135.03206	3.2
136.00958	1.4
138.03049	0.9
139.02704	30.8
140.00412	50.6
140.02995	13.2
141.00470	0.8
144.03238	31.6
144.94833	4.1
145.00951	86.0
145.03583	56.9
146.01035	1.6
146.03720	1.0
148.31860	0.8
150.05486	2.0
154.02110	0.9
159.02504	1.5
159.05206	1.2
162.04305	9.4
162.95909	8.7
163.01967	75.4
163.04652	15.7
164.02113	1.5
167.96414	0.8
168.02620	2.6
168.05130	3.9
168.06470	1.9
177.03601	1.8
181.03802	1.4
185.97508	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03936	2.1
55.01862	2.3
55.05510	41.3
56.96550	2.6
57.03233	0.6
57.03436	7.3
57.07056	3.2
59.04992	1.9
65.03924	2.3
67.05504	52.4
69.03411	2.4
69.07067	100.0
70.07378	1.3
71.01354	1.0
71.04987	13.1
71.08602	1.4
71.57347	1.3
79.05489	33.0
80.05003	0.9
81.03400	1.7
81.07056	68.8
82.07407	1.3
83.04985	6.1
83.08617	89.2
84.08109	1.0
84.96034	2.2
85.06538	11.3
85.93759	0.8
90.41428	0.8
91.05478	10.2
93.07041	53.1
94.06546	1.2
94.07381	1.4
95.04957	3.4
95.08049	1.3
95.08613	18.7
97.06535	18.0
97.10165	4.9
98.98455	1.2
99.08099	5.5
102.94828	1.1
103.05470	0.9
105.07018	5.1
107.04928	1.5
107.06110	1.3
107.08593	51.4
109.06521	3.8
109.10141	7.1
111.04443	1.5
111.08078	24.4
116.97204	1.3
120.08057	2.3
121.01666	1.9
121.06490	2.5
121.07655	1.7
121.08430	10.6
121.10142	25.4
122.06001	1.0
123.08033	1.7
123.11699	3.9
125.06010	0.9
125.09640	4.7
131.08548	3.3
139.11125	0.9
142.96703	1.0
143.96709	1.4
144.03264	2.0
149.02332	2.9
149.06053	1.2
149.07115	1.9
149.09642	3.9
149.13258	78.0
150.05551	1.5
150.52953	0.8
167.03369	2.4
167.05647	1.5
167.07132	4.9
167.08591	4.0
167.10594	7.2
167.14316	68.6
168.06657	1.1
168.08105	2.3
168.10249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.89367	0.4
53.03947	3.1
55.01877	1.8
55.05514	12.9
55.86267	0.4
57.03434	0.8
57.07083	1.5
59.05006	3.2
65.03931	0.9
66.55709	0.4
67.05508	5.7
69.03111	0.5
69.03427	2.5
69.07068	38.8
69.61427	1.5
69.61857	1.8
70.06586	0.6
70.07401	0.6
71.01352	1.0
71.04970	0.7
77.03909	0.8
79.05490	16.4
81.07059	12.1
82.06596	0.9
83.04976	2.7
83.08630	3.6
84.93056	0.4
84.96035	1.2
91.05482	14.0
93.07044	75.8
94.06544	0.9
94.07368	0.8
95.04981	4.6
95.08602	12.7
97.06532	6.7
97.10163	1.4
98.06046	1.2
98.20741	1.0
98.21387	1.3
100.11243	1.5
102.94884	1.2
103.05458	2.1
105.04509	0.7
105.07030	20.1
106.07797	1.9
107.04953	1.3
107.06099	0.6
107.08581	4.7
109.04819	0.5
109.06522	2.1
109.10152	0.7
111.04434	1.2
111.08085	0.8
111.11718	7.9
119.08613	4.6
120.08065	0.9
121.00961	0.5
121.01695	2.0
121.02914	0.7
121.06511	1.8
121.08444	5.5
121.10143	100.0
122.06033	1.1
122.10466	1.9
123.04429	0.5
123.08075	6.7
123.11709	0.5
124.05199	0.5
125.05999	0.8
125.09609	1.2
125.96426	0.6
126.09064	0.7
131.08604	1.2
132.02058	0.6
133.07613	2.1
139.02686	0.8
139.07474	0.8
139.11157	3.1
142.96590	0.5
143.96730	0.9
144.03218	1.8
146.65196	0.4
149.00507	1.5
149.02324	1.7
149.07095	0.9
149.09622	14.3
150.05492	0.9
152.06216	0.5
163.03923	1.0
164.04257	0.8
167.01598	1.6
167.03288	0.9
167.07045	1.7
167.08421	2.0
167.10664	31.3
168.06546	0.6
168.13759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03943	5.8
55.01864	4.6
55.05514	19.8
57.07070	10.4
59.04994	1.8
65.03941	2.0
67.05504	10.6
67.31844	1.5
67.93537	1.4
69.03439	11.7
69.07076	8.7
70.11432	5.3
71.01334	3.2
71.04983	5.2
78.78259	1.3
79.05494	77.3
81.07061	44.7
83.04984	27.3
84.96021	5.4
85.06519	2.2
91.05483	26.0
93.07047	56.9
94.06543	1.8
95.04975	10.3
95.06097	2.1
95.08585	7.3
97.02905	22.0
97.06531	26.2
98.20857	2.4
98.21383	2.7
99.04409	2.0
99.14640	1.6
102.94839	3.5
103.05450	2.6
105.04527	2.5
105.07033	15.8
107.04948	6.7
107.06066	2.0
107.08588	13.0
109.06486	3.1
111.04448	100.0
111.08090	3.4
113.06004	3.0
116.06258	1.9
120.08131	2.1
121.01659	9.5
121.06503	28.5
121.07642	4.1
121.08418	8.5
121.10149	41.9
121.99358	2.3
122.06064	2.2
123.04388	2.2
123.08051	2.8
123.11755	1.8
124.05221	3.5
125.05993	5.9
125.96413	2.0
129.06927	1.9
131.08571	30.7
139.02698	3.2
139.07558	2.4
139.08603	1.5
139.11198	4.6
143.96718	6.0
144.03253	6.2
149.02357	3.9
149.05933	1.9
149.07085	2.4
149.09628	27.0
149.13319	1.5
150.05537	2.8
162.04367	2.3
163.02051	2.0
167.03348	1.7
167.07045	3.7
167.08406	4.1
167.10684	64.2
167.14317	4.9
168.06589	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	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.10862	1.5
51.02361	1.6
53.00303	1.9
53.03948	9.9
53.13113	1.4
55.01854	6.4
55.05265	2.3
55.05511	40.8
57.03430	3.2
57.07078	19.6
59.04982	1.6
67.05502	20.4
67.83722	1.5
68.49798	1.5
69.03068	2.2
69.03423	21.9
69.07071	13.5
69.39709	4.2
69.40128	8.9
71.01334	3.8
71.04978	5.9
71.08618	1.8
79.05493	82.8
79.05955	4.0
81.03393	2.3
81.07054	48.2
83.04981	25.3
83.93026	1.9
84.96029	3.9
85.06519	6.8
91.00356	1.5
91.05483	43.7
93.03367	3.7
93.07044	100.0
94.06564	1.8
95.04971	19.7
95.08595	8.3
97.02893	62.2
97.06525	26.4
98.20847	4.4
98.98445	1.9
99.04450	1.5
102.94851	3.5
103.05469	4.0
105.04494	2.5
105.07037	18.9
107.04948	8.1
107.06060	1.8
107.08601	15.9
109.06520	9.3
111.04441	87.4
111.08041	5.9
113.06004	9.8
116.06216	6.7
119.08568	4.4
121.01684	7.7
121.02808	2.2
121.05647	3.2
121.06512	51.3
121.07553	3.4
121.08411	17.9
121.09279	3.1
121.10146	64.0
122.05997	3.1
123.08060	5.2
123.11706	2.6
124.05151	3.8
125.05984	7.7
129.06973	6.0
131.08572	63.4
133.07637	2.1
139.02681	3.1
139.07484	2.0
139.11174	9.6
142.96684	3.3
143.96695	6.4
144.03238	4.2
149.02322	7.6
149.07114	4.6
149.09622	53.3
150.05450	2.0
162.04216	2.0
162.35544	1.6
167.05490	1.6
167.07030	5.6
167.08383	6.7
167.10652	68.2
167.14369	2.8
168.06560	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	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
56.96550	0.1
66.02029	0.1
69.30760	0.3
69.31163	0.9
70.06581	0.2
71.67398	0.1
79.05493	1.7
80.05019	0.5
83.93032	0.6
88.47315	0.1
91.05470	0.9
93.07044	2.7
95.04964	0.3
98.40106	0.1
101.94144	0.1
103.05469	10.3
107.04960	1.9
108.04480	0.5
119.95096	0.2
120.02037	0.3
120.08108	100.0
121.08442	1.4
121.10175	0.2
123.08196	0.1
131.04919	2.2
136.07582	0.4
138.03033	0.2
138.05493	0.3
138.09149	0.2
142.96698	2.0
143.03593	0.2
143.96640	0.2
148.04764	0.5
149.05986	0.6
165.98312	0.2
166.05022	0.4
166.07329	0.3
166.08646	2.5
167.07001	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	166.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
53.84406	0.2
55.01873	0.2
56.96554	0.3
57.03437	0.3
63.75209	0.2
65.48640	0.2
67.05506	0.4
68.05025	0.1
69.87360	0.6
69.87770	0.3
79.05490	1.9
80.05029	0.4
81.03416	0.2
81.07049	0.4
83.93048	1.2
84.93806	0.2
91.05472	1.2
92.05017	0.2
92.05821	0.3
93.07040	2.9
95.04971	0.5
95.08596	0.2
98.20827	0.2
101.94105	0.2
102.01015	0.2
102.94861	0.2
103.05468	11.7
107.04959	2.5
107.08585	0.3
108.04478	0.7
110.06011	0.2
115.96422	0.2
116.97228	0.3
118.06586	0.3
119.01901	0.2
119.95104	0.3
120.02022	1.1
120.08105	100.0
121.06490	0.7
121.08434	1.3
121.10136	0.3
131.04924	2.2
136.07614	0.5
138.02972	0.2
138.05502	0.3
138.09079	0.2
142.79906	0.2
142.96698	4.3
143.03639	0.7
143.05434	0.2
148.04778	0.7
148.07565	0.2
149.05988	0.8
149.09552	0.2
161.04646	0.3
165.98309	0.4
166.05009	0.6
166.07269	0.2
166.08601	3.3
167.07094	0.3
167.10670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
50.97651	0.5
51.43883	0.5
53.03955	1.9
55.01872	1.4
55.05503	3.9
57.03435	2.6
57.07076	2.7
59.04993	0.7
65.03940	1.1
67.05504	12.4
69.03423	2.9
69.07071	4.8
70.73141	1.2
70.73472	1.0
71.04991	0.8
71.08619	1.1
73.13858	0.6
79.05489	9.2
79.61168	0.6
80.05043	0.6
80.94959	0.6
81.03419	6.6
81.07056	18.1
83.04977	2.3
83.08628	2.1
83.93073	1.2
87.78670	0.5
90.12955	0.5
91.05479	21.6
93.07051	12.5
94.04208	0.7
94.07803	0.6
95.04971	9.2
95.08604	12.8
95.09225	0.7
97.06551	1.6
98.21267	0.7
101.00862	3.9
101.94133	0.6
103.05480	1.5
105.07024	12.0
107.04969	2.4
107.08598	9.9
108.04478	0.7
108.08077	0.6
109.05780	1.1
109.06518	20.2
109.07254	1.2
109.10151	12.1
110.07184	0.7
117.07011	1.7
119.01923	16.2
119.04948	21.1
119.08582	21.7
120.01987	0.6
120.05217	0.6
120.08109	14.3
120.08853	0.6
121.06509	2.2
121.10145	24.3
122.07276	8.3
123.04458	3.0
123.08078	9.4
123.11719	4.4
124.02463	0.6
133.02812	0.7
134.05940	0.8
135.08083	3.1
137.02965	4.5
137.06000	1.8
137.09616	100.0
137.13234	1.9
138.09935	1.6
142.03513	10.8
142.96703	1.8
147.04408	38.7
147.08029	1.8
147.09068	0.6
147.11685	6.9
150.10387	3.7
160.04584	2.2
165.01801	0.9
165.05434	1.9
165.07108	1.2
165.09048	3.7
165.12753	36.1
166.08644	1.2
166.13043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03940	3.8
55.05496	3.1
57.07064	2.6
59.05000	1.7
65.03931	1.5
67.05508	14.4
69.03433	20.9
69.07063	6.5
69.79848	5.7
71.04983	1.8
79.05503	6.9
80.05018	1.1
81.02975	1.6
81.03417	20.6
81.07057	17.9
83.04968	3.7
90.04777	0.9
91.05479	22.9
93.07024	5.6
95.04975	15.3
95.08612	18.0
97.06562	1.3
100.02454	0.9
101.00874	10.8
103.05493	4.2
105.07024	10.3
107.04949	2.4
107.08582	6.9
108.04477	1.4
109.06526	17.7
109.10162	7.9
110.07299	1.6
111.08036	1.5
117.07030	2.4
119.01926	42.6
119.04945	36.7
119.08590	10.7
120.02000	1.3
120.08109	26.4
121.06467	1.6
121.10172	5.1
123.04469	5.3
123.08084	23.6
123.11705	11.6
124.02450	1.6
124.05242	1.0
133.02820	1.5
136.07600	0.9
137.00504	1.1
137.01994	0.9
137.02977	15.7
137.05960	2.9
137.09619	10.3
137.13261	3.4
142.03506	27.2
142.96696	3.5
143.03725	1.2
147.04414	63.6
147.08066	1.8
147.11685	5.4
148.04771	1.5
160.04581	9.7
165.01849	2.3
165.05400	2.5
165.09070	4.9
165.12756	100.0
166.05135	1.2
166.07239	1.5
166.08711	2.0
166.13072	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03938	2.1
53.69900	1.1
55.01863	3.5
55.05523	6.1
57.03432	6.2
57.07069	1.7
63.04226	1.2
65.03932	3.0
67.05505	40.8
69.03436	3.1
69.07073	6.5
70.83794	1.7
70.84130	2.6
71.04980	2.1
72.74932	1.1
79.05495	35.3
81.07059	74.7
83.04982	9.5
83.08626	1.5
83.93034	2.0
85.06534	5.7
91.05479	50.2
93.07042	37.7
95.04976	17.1
95.08603	22.4
97.06543	9.4
98.21240	1.7
99.08096	1.6
101.00889	5.5
103.05466	2.7
105.07034	70.9
106.07349	1.3
107.08591	23.5
109.06527	15.1
109.10145	5.3
117.06982	2.1
119.01938	19.8
119.04939	16.8
119.08582	57.3
120.08113	11.8
121.10146	60.2
123.04475	2.8
123.08064	9.5
123.11729	9.5
133.90334	1.4
137.02956	5.7
137.05994	2.6
137.09619	7.0
138.05463	1.3
142.03499	13.2
142.96736	7.2
145.10103	1.7
147.04417	31.8
147.11687	100.0
148.12108	2.8
160.04572	4.6
165.01671	1.4
165.04340	1.6
165.09122	5.4
165.12764	93.7
166.08678	2.6
166.13162	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	165.1275
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03942	0.5
55.05512	3.6
67.05502	1.7
69.03421	0.5
69.07054	2.4
70.19900	1.2
71.05009	0.7
79.05496	2.1
81.03426	1.5
81.07062	5.6
83.05007	0.8
83.08624	2.9
83.93044	0.6
85.06568	0.5
87.74489	0.3
91.05488	3.1
93.07063	2.2
95.04973	100.0
95.08608	3.5
95.78029	0.4
96.05309	0.9
97.06516	0.4
101.00895	1.1
105.07032	3.6
107.08598	8.9
109.06524	19.0
109.10133	0.7
119.01924	3.9
119.04911	2.9
119.08601	3.4
120.01953	0.4
120.08125	1.6
121.10174	2.5
123.04441	0.6
123.08062	0.8
123.11702	1.7
124.02448	0.5
125.71306	0.4
132.29625	0.3
137.02962	1.3
137.05977	1.0
137.09618	1.3
137.13263	1.8
142.03484	3.2
142.96750	1.8
147.04402	6.6
147.11690	9.2
160.04587	0.5
165.04379	0.6
165.09090	1.3
165.12758	55.4
166.13098	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.91896	1.4
53.03935	3.2
55.01863	4.7
55.05503	8.7
57.03430	7.4
65.03931	2.2
67.05178	2.7
67.05507	38.9
69.03416	5.9
69.07069	7.6
69.54859	2.5
69.55270	6.7
71.04967	1.6
79.05054	2.6
79.05492	39.8
81.03418	3.1
81.07056	76.5
81.80138	1.6
81.86512	1.4
83.04976	9.6
83.93047	2.3
85.06535	4.5
90.27922	1.2
91.05482	53.5
92.47052	1.3
93.07046	40.5
95.04972	17.7
95.08607	21.4
97.06536	10.5
98.20684	2.3
98.21345	4.2
101.00888	4.5
103.05437	3.6
105.07034	71.6
106.07385	1.4
107.08592	25.3
108.04441	1.8
109.06522	18.6
109.10155	5.2
117.07021	2.0
119.01927	19.5
119.02715	2.3
119.04951	19.9
119.08582	58.3
120.08116	13.5
120.08898	2.4
121.10145	60.0
122.10471	1.7
123.04439	2.8
123.08057	8.4
123.11697	9.2
137.02936	6.5
137.05998	2.0
137.09631	6.9
137.13231	3.0
142.03496	13.6
142.96698	9.4
145.10080	1.8
147.04413	37.9
147.11687	100.0
148.11990	3.1
160.04544	3.8
165.07245	1.2
165.09082	6.5
165.12758	92.3
165.43005	1.3
166.08607	1.9
166.13048	2.1
171.82780	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02399	0.3
51.42783	0.3
52.94073	0.2
53.03941	0.3
55.01885	0.3
55.05510	0.5
57.03427	0.4
57.07086	0.5
59.04982	0.3
61.35448	0.2
65.03938	1.9
67.05504	3.1
67.81509	0.3
69.03442	0.6
69.07068	0.7
70.94070	0.5
70.94440	0.6
79.05488	1.2
81.03423	0.4
81.07053	3.0
83.04986	0.3
83.08604	0.6
91.05482	28.8
92.05841	0.4
93.07059	1.0
95.04971	5.0
95.08599	2.7
101.00877	0.4
105.06999	1.4
107.04958	0.6
107.08592	3.6
109.06509	2.4
119.01939	0.8
119.04945	55.1
119.08566	3.3
120.05265	0.7
120.08085	0.4
121.10110	0.8
123.04463	1.5
123.08067	3.7
123.11697	2.1
137.09653	0.6
137.13239	0.4
142.03537	0.5
147.04408	100.0
147.11681	0.8
148.04730	1.7
165.05544	1.2
165.09129	0.7
165.12753	7.9
173.00305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.3
56.66355	0.2
64.04044	0.2
65.03938	1.4
71.17080	0.3
81.03415	0.2
91.05485	24.5
92.05824	0.4
95.04976	1.2
119.04948	49.7
120.05299	0.8
123.04415	1.5
147.04413	100.0
147.63499	0.2
148.04771	2.2
159.87376	0.2
165.05455	1.2
165.12802	0.3
170.07111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	hinokitiol
Peak:m/z	Relative Intensity
52.50246	0.5
53.03944	1.4
55.01883	1.3
55.05508	7.0
57.03442	1.7
59.04988	0.5
65.03934	2.7
67.05504	51.7
68.05839	0.5
69.03427	2.1
69.07069	3.0
71.04992	0.8
71.58490	0.7
77.03929	0.5
79.05489	7.4
80.05003	0.5
80.95011	0.4
81.03403	3.8
81.07058	18.7
82.93361	0.5
83.04974	2.6
83.93050	0.6
84.08094	0.5
85.02905	0.5
85.06570	0.5
88.32026	0.6
91.05481	21.7
92.05832	0.5
93.07040	9.3
94.07857	0.4
95.04971	16.6
95.08609	11.1
97.06544	0.5
100.02494	0.6
101.00879	3.5
103.05458	2.7
105.07045	3.7
107.04945	1.6
107.08600	6.9
108.04478	1.4
109.02876	0.7
109.06511	6.7
109.10156	58.6
110.10473	1.2
117.07011	1.9
119.01922	24.2
119.04947	22.7
119.07927	0.4
119.08584	14.2
120.08110	18.9
121.06487	1.5
121.10137	1.6
122.07278	1.1
123.04435	3.7
123.08079	2.6
123.11710	0.6
124.02473	0.7
124.05090	0.5
131.04912	0.7
133.02885	1.4
136.07558	0.7
137.02985	8.4
137.06049	3.3
137.09616	100.0
138.05429	0.6
138.09947	1.9
141.97102	0.5
142.03508	15.7
142.96703	1.9
143.03671	0.6
147.04416	41.0
147.08090	3.9
147.09123	0.9
147.11667	2.6
148.04762	1.1
160.04547	5.2
165.01852	1.5
165.05356	2.6
165.06853	1.5
165.09105	19.6
165.10445	1.1
165.11475	0.7
165.12752	5.8
166.05042	0.8
166.07224	1.6
166.08612	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34560	0.5
62.64940	0.5
69.75190	0.5
71.07546	0.9
73.27534	0.5
76.32433	0.6
81.56743	0.5
82.01450	0.5
82.99851	2.4
98.21008	0.8
100.02472	0.8
101.00884	32.8
119.01925	100.0
120.01987	2.7
124.02442	6.0
128.23506	0.5
133.03461	1.4
137.02962	23.8
138.03006	0.6
142.03505	61.7
143.03558	1.3
160.04567	15.5
165.05099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	0.5
71.03139	1.5
80.94969	0.7
82.01472	0.7
82.99841	2.6
91.69670	0.5
95.05014	0.7
100.02478	1.1
101.00883	35.3
102.00945	0.6
118.03571	0.5
119.01923	100.0
120.02007	2.6
123.04477	0.8
124.02456	6.0
124.62902	0.5
127.93499	0.4
133.03465	1.4
137.02959	21.8
142.03503	69.0
142.94875	0.6
143.03670	1.7
147.04372	0.8
149.04576	0.5
156.05038	1.1
160.04561	18.0
161.04561	0.5
165.05142	1.0
166.07254	3.2
167.05754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02369	0.8
53.03946	10.0
55.01861	1.3
55.05508	7.6
57.07056	1.3
57.63034	0.6
61.02921	4.2
62.13455	0.6
65.03925	1.0
67.05502	15.9
69.03439	0.7
69.07067	7.4
70.94244	0.5
71.04974	0.7
71.58485	1.2
73.02892	1.9
77.03922	2.2
79.05490	41.1
80.05804	0.8
80.13834	0.5
81.03422	0.9
81.07055	26.2
83.08611	4.2
85.02908	3.4
89.03896	0.9
91.03963	1.4
91.05482	9.5
92.02134	0.6
92.02611	4.0
93.07043	40.9
94.07328	0.7
95.04964	16.5
95.08605	27.7
97.02866	1.0
97.10185	0.7
98.21253	0.6
103.05475	0.9
105.03400	4.7
105.04505	3.5
105.07031	5.0
106.06585	0.8
107.04967	3.7
107.08592	37.1
109.06485	1.3
109.10153	2.4
115.05507	0.7
117.03416	0.6
117.05762	0.9
117.07008	2.7
118.03487	0.7
118.06500	0.6
119.04890	0.7
119.08580	2.5
121.06492	2.8
121.10140	47.3
122.10471	0.7
130.06529	2.1
130.07748	1.0
131.04921	0.6
132.08139	2.9
133.02852	24.9
135.04416	26.2
135.08023	2.3
135.09099	0.7
135.11696	6.7
138.03130	1.4
145.06477	1.2
145.10127	3.7
163.03905	100.0
163.07559	4.3
163.11160	15.2
163.12405	1.6
163.14819	32.5
164.04285	3.2
164.15274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01581	0.7
50.24357	0.6
50.50341	0.6
51.02369	0.8
53.03947	9.7
54.09313	0.6
55.01864	0.8
55.05518	4.6
57.03424	0.7
57.07064	1.5
57.95854	0.5
59.72827	0.5
61.02930	2.9
67.05168	1.2
67.05504	13.3
69.03417	1.3
69.07063	4.9
70.77631	1.7
73.02894	1.1
77.03939	2.3
79.05493	36.4
80.05007	1.1
80.05798	0.9
81.03437	1.4
81.07058	28.2
83.08644	2.9
85.02896	1.7
89.03925	1.1
91.03955	0.9
91.05483	7.8
92.02622	4.6
93.07046	37.1
94.07346	0.8
95.04360	0.8
95.04971	17.7
95.08605	20.0
97.02853	1.1
98.21097	1.0
100.02446	0.8
103.05491	0.8
105.03391	5.9
105.04496	4.5
105.07034	4.9
106.06521	1.6
107.04974	2.7
107.08596	29.0
109.06540	0.7
109.10153	1.6
117.03349	1.0
117.05684	1.1
117.07008	2.4
118.06546	1.1
119.08570	3.0
121.06493	3.4
121.10147	37.4
121.95759	0.7
123.07975	0.7
129.64134	0.5
130.06517	2.4
130.07759	1.1
130.95424	0.5
132.08086	2.3
133.02852	27.2
135.04417	31.2
135.08023	1.5
135.11694	5.9
145.02872	1.0
145.06461	1.3
145.10146	5.2
163.03908	100.0
163.07544	2.5
163.11185	14.0
163.12386	1.9
163.14822	29.5
164.04355	2.7
177.60912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02377	1.2
52.26315	0.8
53.03944	6.2
54.21461	0.8
55.01863	2.8
55.05508	7.9
55.36479	1.1
56.11779	0.9
57.07059	2.9
63.02383	2.1
65.03926	1.3
67.05499	4.1
69.03420	4.3
69.07070	22.1
70.07388	1.0
70.68314	0.8
71.04990	1.5
71.47979	0.9
71.58256	0.9
74.02444	4.0
77.03922	2.1
79.05495	27.5
81.03397	1.2
81.07059	9.9
83.08624	9.7
89.03918	52.8
91.05482	20.5
93.07048	36.6
95.04966	10.5
95.08603	6.6
99.05563	3.2
100.02525	1.6
103.05474	17.4
105.03381	2.6
105.04488	2.2
105.06385	0.7
105.07028	21.4
107.04961	14.1
107.08598	87.9
109.06507	3.7
109.10109	1.5
115.05472	2.3
117.03384	38.7
117.05715	1.3
117.07023	7.3
118.04997	1.4
119.06079	1.5
119.08595	14.2
120.09367	1.2
121.06506	7.2
121.10149	76.9
122.10497	1.6
123.08056	3.6
130.06538	2.2
130.07767	3.3
131.04936	20.1
132.08080	2.4
133.02852	10.9
133.07590	1.4
133.10130	1.2
135.04420	83.9
135.08028	6.3
135.11694	41.9
135.12512	0.7
136.04726	1.9
145.02858	29.8
145.03935	1.1
145.06514	2.3
145.10132	12.8
146.04483	2.6
163.03911	100.0
163.07518	13.0
163.11182	36.0
163.12508	2.3
163.14832	24.9
164.04318	2.5
164.07083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03947	6.1
55.01862	1.8
55.05513	10.9
55.94134	1.1
57.07062	4.2
60.74155	1.0
63.02365	1.6
65.03952	1.2
67.05518	5.2
69.03408	1.5
69.07066	34.3
70.06832	4.6
71.19811	0.9
72.08154	1.1
77.03934	1.7
79.05494	25.4
79.10169	1.0
81.03401	2.4
81.07086	5.7
83.08620	12.2
84.64849	1.0
89.03915	48.8
90.04227	1.2
91.05482	18.3
92.02605	1.9
92.05807	1.8
93.07047	34.0
95.04981	8.7
95.08602	5.7
98.20915	2.0
98.21437	1.2
103.05469	17.5
105.03355	1.7
105.04516	2.5
105.07026	22.8
106.07848	1.4
107.04953	11.8
107.08593	83.6
108.09396	5.0
109.06493	3.9
109.10133	1.9
114.96922	1.0
115.05489	1.3
117.03380	33.3
117.07016	3.7
119.04978	1.1
119.06088	2.0
119.06878	5.1
119.08571	11.4
121.06507	3.9
121.10142	98.3
123.08032	2.4
130.06551	2.7
130.07755	1.9
131.04933	20.9
132.08104	3.4
133.02849	11.2
133.07564	1.7
133.10149	1.8
135.04417	72.2
135.08040	3.7
135.11693	25.8
136.04718	1.5
136.07567	2.0
145.02858	26.2
145.03964	2.3
145.04803	1.1
145.06474	2.9
145.10162	6.3
163.03905	100.0
163.07527	10.1
163.11160	20.4
163.12386	2.7
163.14821	30.1
164.04283	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02369	1.5
53.03952	8.4
53.35597	1.0
55.01626	1.3
55.01875	23.4
55.05513	8.8
57.03414	3.8
57.07051	1.2
65.03935	1.9
67.05165	1.4
67.05507	23.0
69.03132	1.1
69.03428	13.6
69.07077	9.6
69.94349	2.3
69.94767	3.5
71.04987	1.5
77.03907	1.6
79.05496	56.4
79.05957	2.8
80.93159	1.1
81.03423	7.3
81.07059	20.8
83.04968	3.8
89.03394	2.0
89.03917	25.8
90.04212	1.1
90.42843	1.2
91.05483	33.2
92.02608	1.5
93.07047	78.6
95.04974	19.0
95.08614	17.2
97.06534	2.0
98.20718	1.2
98.21279	2.0
103.05463	8.2
105.03377	1.3
105.04505	2.3
105.07037	35.5
107.04282	2.1
107.04963	26.5
107.08597	52.9
109.06494	3.7
115.05465	5.3
116.06230	2.8
117.03393	19.0
117.05746	1.4
117.07018	33.7
119.04943	1.5
119.07787	1.7
119.08590	22.9
121.06512	20.4
121.10130	14.9
128.06221	1.5
129.07007	1.8
130.06581	1.6
130.06743	1.8
130.07782	12.1
130.18764	1.0
131.04900	1.8
132.02042	2.6
132.08104	2.7
133.02840	7.7
133.06511	1.7
133.10152	5.4
134.07243	2.6
135.04419	42.6
135.08072	10.6
135.11697	27.9
143.08568	3.1
145.02855	16.1
145.06433	2.2
145.10127	57.6
146.10454	1.3
148.08853	1.9
163.03911	93.6
163.07513	3.9
163.11183	100.0
164.04236	2.0
164.11580	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03948	3.4
55.01865	1.5
55.05513	2.9
56.61226	0.4
57.03442	0.7
65.03925	0.5
67.05481	1.5
69.03077	0.7
69.03431	12.8
69.07056	1.3
70.93789	0.9
71.04992	3.4
77.03910	1.0
79.05492	10.1
81.07065	4.1
83.04964	0.8
89.03914	12.8
91.05479	12.4
92.05802	0.7
93.07042	50.2
94.07385	0.5
95.04980	5.0
95.08610	0.8
98.21143	0.5
103.05464	3.0
105.03397	1.1
105.04531	1.3
105.07028	14.9
107.04964	3.4
107.08592	20.3
109.06527	1.0
115.05419	0.5
117.03381	8.8
117.05739	0.5
117.07003	5.3
119.06863	0.8
119.08575	8.7
121.06509	6.7
121.10142	4.1
128.06258	0.6
129.06967	0.8
130.06584	0.6
130.07774	4.2
131.04904	2.9
132.08109	0.7
133.02876	4.2
133.10123	0.5
135.04422	19.9
135.08029	2.4
135.11691	8.8
143.08566	1.9
145.02858	6.6
145.10124	39.2
146.10477	1.0
147.69186	0.5
148.08870	0.8
161.09590	0.5
163.03911	37.6
163.07585	2.6
163.11185	100.0
164.01485	0.5
164.04225	0.8
164.11566	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.8
53.03939	4.3
53.36805	0.8
55.01856	2.4
55.05513	4.0
58.02807	0.8
65.03931	1.0
67.05489	2.0
69.03427	11.7
69.07058	2.2
69.87003	2.5
69.87414	1.8
71.04985	4.9
76.03577	0.8
77.03919	1.4
79.05495	14.2
81.03393	1.3
81.07065	8.3
83.04971	1.2
89.03912	8.4
89.68110	0.9
91.05485	14.7
93.07045	47.9
95.04969	8.1
95.08595	1.0
98.20889	1.1
98.21394	1.3
103.05479	5.1
105.03349	1.3
105.04512	1.5
105.07031	28.2
107.04952	4.3
107.07874	1.8
107.08597	35.5
108.08961	1.1
109.06508	3.3
115.05473	1.0
117.03381	6.0
117.07010	9.1
119.08580	12.4
121.06529	10.3
121.10153	10.4
127.07503	1.4
128.06235	1.2
129.06953	1.6
130.06848	1.1
130.07773	6.2
131.04918	3.4
132.02055	1.1
132.08102	1.4
133.02878	4.4
133.06526	1.5
135.04414	13.4
135.08069	6.4
135.11679	9.9
143.08559	1.6
145.02864	4.3
145.06462	0.9
145.10123	39.6
146.10486	1.2
147.08096	1.5
148.08804	2.8
163.03908	31.5
163.07535	2.9
163.11182	100.0
164.07066	1.5
164.11601	1.8
176.75366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38953	0.6
53.03946	4.9
54.32918	0.5
55.01875	5.4
55.05508	4.4
57.03413	1.2
58.40945	0.6
65.03926	1.1
67.05502	3.2
69.03428	11.1
69.07053	2.7
71.04995	4.2
73.62202	0.5
74.02422	1.0
77.03932	1.2
78.04725	0.8
79.05493	20.0
81.03410	1.2
81.07063	9.7
83.04956	2.0
89.03401	0.8
89.03918	9.6
91.05479	17.2
92.02612	1.3
93.07043	52.3
95.04971	9.1
95.08611	3.2
98.21228	4.2
100.03902	0.7
103.05463	18.5
104.06266	1.5
105.03408	1.6
105.04485	1.7
105.07029	25.2
106.06541	0.8
107.04964	8.5
107.08595	36.7
108.08150	0.6
109.06507	2.0
115.05444	2.4
117.03375	6.7
117.05713	0.6
117.07021	8.7
118.58671	0.6
119.08576	13.1
121.06503	12.0
121.09298	1.1
121.10149	11.0
124.92416	0.6
127.07527	0.9
128.06180	0.9
129.06981	0.9
130.06610	1.1
130.07770	7.0
131.04926	18.7
132.08099	1.4
133.02849	6.9
133.06476	1.4
133.10094	1.0
135.04416	21.3
135.08047	6.3
135.11684	11.8
143.08556	2.2
145.02879	5.4
145.06474	1.4
145.10118	41.9
146.02292	0.8
146.04613	0.7
146.10471	1.7
147.08139	0.7
148.08855	1.4
149.05988	2.5
163.03909	46.6
163.07545	8.6
163.11179	100.0
163.14813	1.9
164.04317	0.9
164.07037	0.8
164.08307	1.0
164.11542	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	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.70758	0.6
53.03943	2.5
63.02378	2.0
69.35218	0.6
69.37773	0.6
70.82654	1.6
70.84573	0.5
78.95263	1.5
79.05495	9.5
81.07072	0.9
89.03915	69.5
90.04263	0.9
91.05493	1.2
95.04982	2.6
105.04498	0.9
107.04948	14.6
117.03378	60.2
118.03738	0.8
119.97876	1.4
122.94222	1.2
125.00323	0.8
133.02858	0.7
135.04413	100.0
136.04781	1.3
140.95232	0.7
145.02844	40.2
145.03854	1.7
146.03197	0.8
158.96336	1.0
163.03902	84.0
164.04259	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02388	0.5
53.03941	1.7
61.24252	0.5
63.02095	0.5
63.02385	2.2
63.08461	0.4
67.19180	0.5
70.82468	0.6
71.72395	0.5
77.03918	0.6
79.05499	10.8
84.06060	0.5
89.03921	73.5
90.04250	0.7
91.05486	1.0
93.07061	0.8
94.89351	0.4
95.04958	3.7
103.05464	1.7
105.04514	1.3
105.72546	0.6
107.04959	15.3
107.08642	0.6
107.80054	0.5
117.03381	57.2
118.03777	0.6
121.06517	0.6
131.04977	1.2
133.02844	1.0
135.04420	100.0
136.04753	1.6
140.04993	0.5
145.02853	42.3
145.03889	1.5
146.03210	0.8
163.03911	87.5
163.07588	1.5
163.11197	1.7
164.04245	1.5
177.62396	0.5
179.24461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	0.2
57.06266	0.2
58.33832	0.2
61.25880	0.2
71.16485	0.3
71.16809	0.2
82.99826	1.1
98.97588	0.4
100.02498	0.2
100.97192	0.3
101.00882	24.2
101.95030	0.4
102.00935	0.9
102.96867	0.4
110.71243	0.2
116.98652	0.4
118.03496	0.2
119.01920	100.0
120.01999	3.9
121.02374	0.5
124.02450	0.3
124.97635	0.2
133.03452	0.9
133.98100	0.4
136.48395	0.4
137.02954	30.0
138.03052	1.4
142.03468	1.6
142.33640	0.2
143.03630	1.4
144.03220	0.3
145.48894	1.0
151.04539	0.3
160.04520	0.4
161.02959	4.3
161.04558	0.4
161.04901	0.4
179.04013	5.2
179.05583	0.4
180.04251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
52.54045	0.4
53.03938	3.3
55.01618	0.5
55.01871	5.4
61.02306	0.5
65.03944	0.4
66.04722	0.5
69.46784	1.9
69.47202	1.6
77.03918	0.7
78.93121	0.6
79.05489	18.7
81.03407	0.6
89.03912	0.9
90.04707	0.7
91.05481	5.8
95.04981	3.5
98.20935	1.7
99.14938	0.4
103.05467	22.1
104.05791	0.9
105.07027	100.0
106.07366	2.2
107.04929	1.4
110.89905	0.4
115.05451	27.4
117.05836	0.6
118.04166	4.2
118.06126	0.5
119.08585	2.0
128.06215	0.7
130.06522	0.8
131.04951	3.9
131.06862	5.0
132.05705	1.3
132.08075	0.7
133.06488	37.4
133.08409	3.3
133.10130	1.9
134.06841	0.6
135.38948	0.5
143.06039	6.1
143.08537	1.2
144.04408	0.6
146.03625	1.8
146.05580	1.7
146.07227	1.0
147.53499	0.4
149.07912	1.1
159.07483	1.1
161.02637	0.4
161.05978	10.8
161.07947	6.8
161.09627	4.7
161.13268	1.3
162.05476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.05499	2.0
55.17213	0.6
61.68663	0.5
67.05502	4.4
69.03426	6.6
69.07060	1.4
76.40620	0.6
78.93115	1.8
79.05495	7.5
81.07056	7.5
84.94296	0.5
91.05482	23.1
93.07044	9.4
95.04935	1.0
95.08588	2.3
98.20856	3.3
98.21542	1.0
103.05438	0.9
105.07034	58.4
106.07372	1.0
107.04953	2.0
107.08579	1.4
112.02190	0.9
113.02390	1.0
114.09119	0.9
115.05440	1.3
115.09493	2.5
117.07023	4.6
118.07751	0.7
119.08585	33.9
119.95650	0.7
120.08115	0.8
121.06506	12.1
128.06233	6.7
131.04953	2.9
131.08511	2.8
132.05701	1.2
133.06479	3.7
133.07507	1.1
133.10138	33.9
134.10484	1.1
143.08568	8.5
145.06476	2.9
146.07268	24.8
159.08038	1.9
161.02818	1.8
161.05963	2.3
161.09622	100.0
161.13252	30.0
162.05539	1.5
162.09975	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	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79519	0.5
55.01857	0.6
60.15262	0.5
69.03442	0.9
71.58360	0.5
71.58750	0.9
79.05489	0.9
87.51188	0.5
87.73608	0.5
91.05479	3.5
93.07051	2.5
98.21164	0.5
103.05437	1.0
105.07036	33.4
107.04946	2.2
115.05444	0.6
115.09509	1.8
117.07046	1.0
119.08600	3.2
121.06517	15.5
128.06224	3.4
129.06949	0.5
131.04927	2.1
131.08554	1.5
132.05745	0.6
133.06447	2.7
133.09116	0.9
133.10136	20.5
143.08540	3.1
145.06500	4.0
146.07277	25.4
147.07620	1.1
159.08061	1.1
161.09628	100.0
161.13286	2.3
162.09972	2.3
184.32932	0.5
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
53.03947	0.6
55.05512	5.6
60.36584	0.2
62.61175	0.2
65.03934	0.2
67.05508	0.4
67.47984	0.2
68.05025	0.3
69.05347	0.2
69.07067	2.3
69.58418	0.9
69.58844	0.7
77.03943	0.2
78.54816	0.2
78.93140	0.2
79.05494	2.0
81.07059	1.0
84.08144	0.3
90.96762	0.8
91.05482	7.6
92.96358	0.3
93.07053	1.1
98.20903	0.6
98.21485	0.3
102.04582	0.6
103.05475	1.7
104.06253	0.7
105.07034	17.0
107.08601	1.4
110.60318	0.2
112.02220	0.5
113.02460	0.6
114.01730	0.3
115.05480	1.3
117.07021	2.2
118.04136	0.3
118.06553	0.6
119.08583	100.0
120.08868	1.5
121.10146	2.3
128.06221	0.3
131.08568	2.0
132.46565	0.2
133.06497	1.3
133.10135	16.4
134.10435	0.4
137.71565	0.2
143.08527	0.4
144.09377	0.3
145.10085	0.5
146.03639	1.7
146.10884	0.8
152.51984	0.2
159.11679	0.8
161.02803	2.0
161.05969	1.1
161.07146	0.5
161.09616	2.2
161.13260	19.5
162.02075	0.5
162.03722	1.3
162.05505	0.3
162.13506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0551
Annotation	Indole-3-carboxylic acid
Peak:m/z	Relative Intensity
50.01600	0.2
53.03943	0.2
58.99588	0.3
65.03947	0.8
70.64371	0.5
79.05497	0.7
86.98985	0.2
89.03913	3.4
91.05485	17.8
92.05007	0.5
92.05841	0.3
93.07059	0.5
95.04964	0.5
97.66374	0.2
98.06071	0.3
103.05467	0.5
105.07006	0.6
106.06547	0.9
106.07343	0.6
107.04960	1.0
107.08533	0.3
116.04985	20.0
117.03377	1.0
117.05788	3.5
118.06546	100.0
119.06872	1.2
120.08096	0.4
121.06505	0.6
121.10131	0.4
128.04994	0.3
130.04124	0.4
131.03703	0.4
131.04939	1.0
132.04422	0.3
133.02869	0.3
134.03627	0.9
134.06015	7.4
135.04442	2.4
141.29822	0.2
144.04446	19.3
145.02837	0.7
145.04869	0.3
147.04413	0.5
149.04753	0.3
162.03831	1.2
162.05505	40.7
163.03928	3.4
163.05812	0.8
163.07535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02382	1.0
53.03941	3.1
55.01857	1.0
55.05501	2.5
57.07088	6.8
63.02376	1.4
69.63892	5.6
74.02435	1.1
77.03921	1.2
79.05498	12.4
86.21463	0.8
88.35888	0.8
89.03922	66.1
89.06037	2.8
90.04246	1.3
91.05459	2.9
93.07057	4.0
95.04965	4.5
99.05550	1.9
103.05476	4.2
105.03382	1.0
105.04511	1.1
105.07014	1.7
107.04956	15.9
107.08591	5.1
108.08135	0.9
117.03383	56.5
117.07059	0.9
121.06516	1.3
121.10133	1.2
131.04945	4.3
132.08147	1.4
133.02875	2.2
134.44507	0.9
135.04422	100.0
135.11664	1.9
136.04762	1.9
136.07585	12.5
145.02859	41.7
145.03909	2.0
145.06519	0.9
145.10098	1.9
163.03912	91.3
163.07576	2.3
163.11169	4.2
164.04277	1.6
164.07069	1.5
167.72510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03957	2.2
57.74749	0.6
63.02385	2.1
69.95322	1.9
69.95736	1.4
72.54375	0.6
75.85670	0.6
79.05495	9.7
89.03922	75.6
89.17289	0.7
90.04248	1.1
91.02747	0.7
91.05541	1.0
91.49271	0.6
95.04973	1.8
98.21406	0.9
103.05471	0.8
107.04958	14.8
117.03382	57.6
118.03722	0.8
135.04422	100.0
136.04761	1.8
145.02856	45.2
145.03894	1.9
163.03911	81.3
164.04262	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.05502	0.5
59.93103	0.4
61.01127	0.5
65.03931	0.6
67.05472	0.2
68.05014	0.6
70.02956	0.2
70.05577	0.2
70.05894	0.8
71.06921	0.2
71.63538	0.2
72.08164	0.2
72.93763	0.2
77.94141	0.2
79.05487	0.6
80.05044	0.2
84.04504	0.3
85.01130	0.4
87.02686	0.8
88.92532	0.2
90.03449	0.7
90.96750	0.3
91.05471	0.4
92.05011	2.6
96.04465	0.4
96.08109	0.3
101.04231	0.6
103.05450	1.0
104.05023	0.2
104.05788	0.6
105.04507	2.8
105.07025	1.7
112.02193	1.5
113.02979	1.2
114.03790	0.9
114.05518	0.4
114.09168	3.1
114.12803	0.8
115.05433	1.0
117.05765	0.7
118.06548	2.1
118.96781	1.4
119.01996	0.2
119.08572	0.4
119.95806	0.3
127.04556	0.2
130.06532	1.8
131.04950	0.3
132.05577	14.4
132.08061	2.1
132.08945	0.2
133.06509	0.3
135.05530	2.0
142.08620	0.2
145.05247	1.2
148.07576	0.6
154.96465	0.5
158.07202	0.3
160.02460	2.1
160.05064	100.0
160.07651	2.7
160.09477	1.4
161.05426	1.8
161.07108	2.8
161.09592	0.5
161.13284	0.2
162.05467	0.2
164.95258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0757
Annotation	Indole-3-acetaldehyde
Peak:m/z	Relative Intensity
53.03947	1.6
55.05517	1.9
55.28766	0.5
57.18922	0.5
59.93121	0.7
68.05026	1.2
69.03437	0.6
69.07072	0.7
69.93774	0.5
70.06579	1.0
71.57838	0.6
71.58199	0.5
71.75696	0.5
72.08186	0.6
74.06113	0.6
76.04008	0.5
79.05485	3.1
80.05067	0.5
82.13294	0.5
87.02705	1.7
87.04453	0.8
91.05480	3.1
95.04978	2.0
95.23262	0.6
96.04481	0.9
96.08125	1.2
100.07604	0.6
102.04693	0.6
103.05472	18.6
104.04978	0.5
104.05789	0.6
105.07040	7.9
106.06561	3.2
113.03007	0.6
114.03789	0.8
114.05531	1.2
114.09170	17.3
114.09965	1.0
115.05463	5.0
116.04995	0.6
117.05762	22.1
117.07024	1.0
118.04221	0.8
118.06554	15.9
118.96795	1.3
119.08578	14.7
121.10164	0.7
128.04984	3.8
130.06531	79.2
131.04965	0.6
131.07289	1.6
131.08519	0.6
132.08092	49.7
133.06488	2.2
133.10149	3.4
134.06041	3.0
142.02209	0.6
142.06526	3.9
142.08601	0.7
145.05234	34.3
145.06381	1.3
146.05965	2.6
146.07185	1.1
148.07573	25.7
158.06041	0.5
158.07138	17.0
160.07579	100.0
160.09474	5.5
161.05963	1.6
161.08047	1.2
161.09630	3.3
161.13258	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	160.0759
Annotation	2721-59-7
Peak:m/z	Relative Intensity
53.03933	2.2
55.05517	0.7
56.96569	0.7
57.03423	0.6
59.93091	0.9
65.03947	0.9
66.72183	0.6
68.05015	1.2
69.03423	1.4
69.07072	0.8
70.94339	0.6
72.08135	1.0
74.06067	0.8
75.05788	0.8
79.05494	4.0
81.05823	0.7
82.06529	0.8
82.55009	0.6
84.04491	1.1
84.08145	0.8
86.06058	0.8
87.02685	2.1
87.04449	1.6
91.05472	3.1
93.07058	0.8
95.04957	2.2
96.04490	2.8
96.08127	5.1
96.93579	0.6
98.21029	0.7
102.04680	1.3
103.05469	21.0
105.07033	17.9
106.06578	3.4
106.07191	0.7
112.02207	1.7
114.03796	1.0
114.05521	1.8
114.09172	24.0
115.05447	5.5
117.05765	18.1
117.07023	1.5
117.95927	0.7
118.04212	0.6
118.06568	6.3
118.96801	3.5
119.08541	3.3
124.07638	0.7
128.04968	3.8
128.06180	1.1
130.06532	69.6
131.04932	1.6
131.07005	1.0
131.08508	0.7
132.08093	41.7
132.08859	1.5
133.06497	3.3
133.08452	1.1
133.10120	3.6
134.06039	3.6
134.06940	0.8
136.97328	0.7
142.08591	1.4
143.08539	1.8
145.05238	33.3
145.06326	1.1
145.10173	3.0
146.05980	3.5
146.07222	1.6
148.07573	25.4
150.95746	0.8
158.06114	0.6
158.07144	17.1
160.02516	2.5
160.04103	2.7
160.05234	3.9
160.07578	100.0
160.09496	8.7
160.12042	3.8
161.05983	8.9
161.07097	0.6
161.09627	13.4
161.13216	1.4
163.06294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0757
Annotation	2721-59-7
Peak:m/z	Relative Intensity
53.03936	1.7
55.01867	1.2
55.05504	0.8
57.96272	0.6
59.73823	0.6
68.05037	1.1
70.13027	0.6
70.59743	0.7
70.64333	1.1
70.64670	1.2
73.86971	0.7
79.05496	5.7
80.04989	0.9
84.04475	0.7
85.01110	0.8
90.96751	3.4
91.05479	1.1
95.04961	2.2
101.04221	1.5
102.04696	0.6
103.05466	22.0
104.05809	1.9
105.04505	1.2
105.07032	23.4
106.06569	3.9
112.02212	5.0
113.02974	1.5
114.03747	1.1
114.09190	5.1
115.05459	8.8
117.05005	1.2
117.05762	15.9
118.04166	0.9
118.06567	3.3
126.03746	1.3
128.04958	3.2
130.06526	79.6
131.04933	1.3
131.06815	1.3
132.08090	44.0
133.06499	7.9
134.00668	0.7
134.05998	2.5
143.06068	1.3
144.98164	2.4
145.05223	34.9
146.06021	3.6
148.07574	23.4
148.08499	0.4
158.05942	1.2
158.07147	13.2
160.02487	8.7
160.05127	2.6
160.07576	100.0
161.05962	2.2
161.07915	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02769	10.7
56.96564	35.1
65.88221	11.4
70.06582	68.6
70.09171	49.6
90.03499	11.5
98.85709	10.2
98.97576	100.0
101.00880	16.3
110.07171	15.4
112.02477	21.0
112.08714	77.9
116.07090	18.6
116.98627	91.3
119.01913	96.9
130.03499	90.6
134.99669	51.9
137.02878	14.4
148.04567	26.0
158.03021	12.0
158.09302	72.5
176.04037	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	159.0441
Annotation	1,2-Naphthoquinone
Peak:m/z	Relative Intensity
51.02371	0.5
53.03954	3.3
55.01878	0.8
56.96570	0.6
58.01587	0.3
58.31257	0.3
69.59173	2.1
70.06591	1.3
70.72258	0.3
72.08180	0.4
76.15770	0.3
76.93381	3.6
77.03918	0.7
79.05483	0.4
87.00838	0.6
91.05476	2.2
94.94404	0.5
95.04971	4.6
98.97575	0.9
99.04442	0.4
102.04688	1.1
103.05468	100.0
104.05789	2.1
105.03412	2.5
105.04518	0.9
105.07043	1.0
113.02345	0.7
114.09172	1.1
115.05450	1.3
116.06271	0.6
116.98624	1.1
117.01860	0.3
117.07024	1.4
117.95984	2.2
118.96745	0.6
119.08546	0.4
125.02216	0.4
128.06265	0.4
129.06996	1.2
130.06525	1.9
130.07663	0.6
131.04927	82.0
131.08563	3.1
132.05286	1.4
132.08084	3.1
134.99638	0.5
135.96992	1.6
141.01848	2.5
141.07001	0.5
141.21220	0.3
142.06514	0.5
144.05708	0.7
144.08855	2.9
145.05237	0.8
148.07523	0.6
153.96689	0.4
159.04416	30.6
159.08046	4.0
159.09206	1.5
159.11670	5.9
160.05164	2.0
160.06267	0.4
160.07571	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.9
55.05509	1.2
57.91564	0.9
59.93092	1.4
65.03944	0.8
67.05500	6.0
70.06583	2.4
71.57791	1.0
72.04508	1.9
76.93369	23.9
79.05499	6.2
81.07063	5.2
91.05477	22.0
93.07040	3.4
94.94405	7.6
95.04944	1.2
100.07616	1.6
105.07036	20.6
113.02374	3.2
113.07929	1.3
114.09177	10.0
115.05414	4.5
116.06238	3.0
117.07021	51.9
117.95979	18.6
118.96732	2.6
119.08588	4.5
129.07014	10.0
130.07791	8.2
131.08572	75.0
132.08939	1.6
135.97021	10.5
141.01828	9.0
144.05708	1.9
144.09341	10.3
153.96704	1.6
157.10149	3.7
158.98628	1.3
159.02933	1.0
159.06906	1.5
159.08109	9.7
159.10136	4.2
159.11690	100.0
160.09665	2.4
160.12029	2.4
160.46773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03951	1.0
55.01892	0.8
59.93106	1.3
61.01143	0.7
67.05500	3.7
68.05031	1.1
70.06580	1.3
70.90723	2.1
72.04524	1.3
76.93376	8.7
79.05488	3.2
80.05015	1.0
81.07053	2.5
85.72952	0.7
87.02675	0.7
90.96751	0.9
91.04957	1.2
91.05484	16.6
93.07034	1.4
94.94426	4.0
95.04939	0.8
100.07605	1.5
103.05473	2.6
105.07040	13.1
112.02199	3.5
113.02391	2.0
113.07125	0.8
113.07954	1.3
114.09182	10.2
115.05450	4.8
116.06217	2.0
116.41769	0.7
117.07027	43.5
117.95980	8.9
118.96761	1.2
119.08589	6.2
121.76412	0.7
127.04498	0.9
129.07005	9.4
130.06519	3.5
130.07779	11.2
131.08572	72.6
132.08051	2.3
132.08940	1.6
135.97023	5.4
141.01816	7.5
144.09366	11.0
145.05292	2.0
148.07545	1.2
157.10150	2.3
158.07100	1.0
159.06866	1.7
159.08070	10.4
159.10141	4.8
159.11697	100.0
160.02534	6.1
160.07599	4.8
160.09702	2.7
160.12047	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05498	0.7
57.03458	0.5
57.21527	0.6
57.56099	0.5
65.03941	0.6
67.05503	5.1
70.06579	1.9
71.57751	0.7
76.93365	10.0
78.79188	0.6
79.05496	5.3
79.82851	0.5
81.07061	3.7
85.44195	0.5
91.05481	16.7
93.07029	2.0
94.94419	3.1
99.84833	0.6
100.07621	1.1
103.05470	1.2
105.07033	16.2
108.18836	0.5
113.02351	1.3
114.09174	5.7
115.05449	3.9
116.06248	2.8
117.07021	44.1
117.95988	9.9
118.07881	0.6
118.96754	1.3
119.08604	4.9
128.06232	1.0
129.07002	10.4
130.07808	9.6
131.08569	70.9
132.08917	1.3
132.74059	0.5
132.75041	0.5
134.99640	0.5
135.97031	5.2
136.39496	0.5
141.01845	5.8
141.07045	0.6
142.07811	0.7
143.08493	0.9
144.05786	0.7
144.09343	11.3
157.10144	3.1
158.27119	0.6
158.98593	0.9
159.08133	6.2
159.10199	3.4
159.11690	100.0
159.15799	1.5
160.09706	1.0
160.12027	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03939	0.9
55.05491	1.1
55.46070	0.5
58.99578	0.5
59.93085	1.5
61.01134	0.7
63.80132	0.5
67.05501	3.1
68.05016	2.0
69.03417	0.6
69.07084	0.6
70.06593	1.4
71.58383	0.8
71.92975	0.6
72.04501	1.1
76.92889	1.4
76.93365	19.4
79.05481	2.3
80.05006	1.7
81.07059	1.2
85.01110	0.9
87.02693	0.7
90.96754	2.2
91.05477	12.7
94.94405	8.2
95.04941	0.7
96.04474	1.0
96.08113	0.7
98.97565	0.7
100.07594	0.6
101.04220	1.4
103.05448	1.9
105.07030	17.4
112.02192	7.0
112.95456	1.2
113.02335	2.1
113.03024	0.9
113.07919	0.7
114.03784	1.3
114.09158	6.1
115.05441	3.5
116.06223	2.6
117.01878	0.7
117.05739	1.4
117.07015	19.1
117.95977	17.5
118.96738	2.0
119.07776	1.1
119.08572	13.8
126.03758	0.8
128.06236	2.4
129.07002	18.2
130.06482	2.7
130.07797	4.5
131.04935	0.8
131.08566	34.5
131.97531	0.8
132.08069	1.6
135.97012	11.6
135.99963	0.7
141.01828	6.7
141.06981	0.9
142.07787	1.8
143.08556	2.0
144.05678	2.6
144.09341	32.5
145.05193	1.5
145.09660	1.0
148.07513	1.0
153.96686	1.1
157.10136	4.9
158.98610	1.9
159.04465	0.7
159.08078	17.8
159.11688	100.0
160.02510	9.7
160.03917	0.9
160.07532	4.1
160.09708	1.7
160.12059	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48825	0.3
55.01878	1.5
55.05495	0.3
56.05040	0.7
56.96568	4.4
57.03437	1.8
58.99867	1.0
59.99973	0.3
61.02934	1.0
67.01865	0.6
68.05024	0.7
68.99806	0.4
69.03436	0.7
70.37038	1.0
70.95870	1.9
70.99871	0.5
71.95238	0.4
72.93791	1.5
73.02916	1.5
74.02927	0.3
77.00920	1.1
78.52959	3.6
79.03052	0.3
81.01880	0.3
81.04543	0.8
82.01445	2.6
82.05331	2.5
82.06585	0.4
82.99844	0.8
83.00783	0.5
83.06104	10.2
84.01559	0.5
84.08157	0.6
84.99271	0.8
85.01425	0.5
85.02921	0.8
86.52698	0.7
88.96889	0.7
89.00884	0.6
90.94833	0.7
92.01258	0.3
92.52707	1.8
93.02779	0.5
93.04530	7.8
94.52466	0.3
95.01337	1.9
95.01896	0.4
95.06091	6.5
95.53188	0.3
98.09710	0.5
98.20931	0.4
98.52668	0.3
98.97607	1.0
99.53473	0.4
100.02489	8.8
100.52517	0.4
101.00882	12.2
101.01569	0.6
101.02561	1.0
101.41253	0.3
101.53217	0.7
102.00945	0.5
102.02234	0.4
103.00536	0.3
103.02458	2.8
105.51667	0.4
106.29461	0.3
107.53203	0.7
108.52254	0.3
109.52944	0.7
110.07166	100.0
111.05566	0.6
111.07489	1.1
111.98483	1.1
112.02488	1.8
112.03154	0.3
113.00874	0.3
113.02345	0.3
114.00986	0.4
114.04049	2.0
114.52192	0.5
115.00610	0.7
115.01308	0.6
115.02426	3.7
116.98637	0.6
117.01880	1.1
118.03520	5.0
119.01920	59.6
120.01961	2.2
120.03275	0.4
121.01656	0.5
121.03501	1.6
121.52981	0.3
124.02477	1.7
126.03104	0.3
126.09168	0.4
128.07095	0.4
129.04117	0.3
129.99507	0.4
130.03516	3.1
131.00084	0.3
131.01935	2.8
132.02029	2.4
132.05055	2.9
132.95842	2.4
133.01671	5.2
133.03462	16.4
134.99802	0.3
135.05005	0.3
137.02956	20.3
137.52394	0.3
138.03050	0.6
138.03996	0.7
142.03500	27.2
143.01849	0.4
143.03635	1.2
144.05109	0.3
144.99887	0.3
145.03488	0.7
147.05045	0.4
149.01141	0.6
149.03009	0.6
150.03035	0.7
150.06111	0.8
150.96887	4.6
151.02739	1.0
151.04532	5.3
154.03488	0.5
156.02023	0.3
156.03235	0.7
156.05075	3.9
156.06519	0.5
156.07684	8.3
156.10231	0.4
157.03453	0.4
157.04623	1.1
157.09720	1.0
159.01395	0.3
160.04561	7.7
161.02959	1.0
165.05054	0.9
167.02145	0.3
168.01381	0.5
172.04440	0.3
174.06123	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0769
Annotation	Histidine
Peak:m/z	Relative Intensity
54.03485	0.2
55.01872	1.4
55.05516	0.2
55.93522	0.2
56.05042	1.3
56.96566	4.4
57.03441	2.0
58.99870	0.8
59.31012	0.3
61.02925	0.9
67.01865	0.5
68.05034	1.3
68.99779	0.6
69.03426	0.7
69.78791	1.1
70.06591	0.6
70.95876	1.8
70.99880	0.3
72.08175	0.3
72.93806	1.5
73.02912	1.5
74.93845	0.2
75.53500	0.2
77.00907	0.8
78.52962	3.9
81.04546	0.7
82.01445	2.0
82.05328	2.3
82.06566	0.3
82.99842	0.5
83.00789	0.3
83.01444	0.3
83.06104	10.8
84.01562	0.5
84.04507	0.4
84.08154	0.5
84.99253	0.7
85.01411	0.4
85.02906	0.7
86.52718	0.8
87.53466	0.6
88.96899	0.7
89.00871	0.4
90.94834	0.7
91.02458	0.3
92.52696	2.7
93.02095	0.3
93.02792	0.2
93.04530	8.0
94.52453	0.4
95.01323	1.9
95.01883	0.3
95.06099	7.0
95.06697	0.5
97.02886	0.3
98.01363	0.3
98.09706	0.6
98.20734	0.4
98.21329	0.5
98.52725	0.3
98.97581	0.8
100.02487	9.5
100.52480	0.3
101.00883	10.9
101.02560	1.0
101.53217	1.5
102.00984	0.5
102.02243	0.5
103.02457	2.7
105.51643	0.3
107.53171	0.6
108.53116	0.3
109.52905	0.7
110.07167	100.0
111.02000	0.2
111.05582	0.5
111.06852	0.3
111.07502	1.3
111.98469	0.9
112.02473	0.5
113.00891	0.5
113.02369	0.4
113.53238	0.4
114.03348	0.3
114.04009	1.6
114.05532	0.2
115.00610	0.7
115.01337	0.5
115.02431	2.7
115.04021	0.3
115.96425	0.3
116.98640	0.5
117.01847	1.1
118.02769	0.3
118.03534	4.7
119.01923	51.4
120.02007	2.1
120.03267	0.3
121.01632	0.4
121.02632	0.2
121.03450	1.3
121.52950	0.4
123.04079	0.3
124.02517	1.5
124.03407	0.2
126.09226	0.2
127.03946	0.3
128.07118	0.4
128.51891	0.3
128.98590	0.4
129.03989	0.2
129.99493	0.6
130.03493	1.3
131.01900	2.2
132.02007	2.1
132.05045	2.1
132.95842	2.4
133.01675	3.7
133.03464	14.7
134.03610	0.4
134.99687	0.3
137.02959	18.0
138.03085	0.9
141.02733	0.3
142.03503	22.4
143.01929	0.4
143.03564	1.2
145.03474	0.4
147.05064	0.4
149.01172	0.6
149.03006	0.3
150.03047	0.6
150.06111	0.8
150.96886	4.6
150.99030	0.2
151.02728	0.9
151.04526	4.3
152.04642	0.3
153.53740	0.3
155.97432	0.4
156.03258	0.6
156.05101	3.2
156.06563	0.4
156.07692	7.7
156.10231	0.5
157.03531	0.3
157.09729	0.9
159.01337	0.3
160.04558	8.3
160.97592	0.4
161.02953	0.6
161.04660	0.2
165.05112	0.8
167.02248	0.3
168.01433	0.7
173.98570	0.4
174.02718	0.3
174.06177	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00289	2.0
53.03951	6.3
55.01861	2.4
55.05303	1.2
55.05513	15.2
56.96578	1.4
57.03454	2.8
57.07059	2.2
58.99585	3.5
59.05010	10.2
61.10810	1.3
65.03944	12.1
67.05518	9.6
68.05021	1.9
68.96336	1.7
69.03435	4.4
69.06771	1.5
69.07079	14.8
70.06559	1.1
70.94267	11.5
70.95862	4.3
71.04996	32.1
71.58273	2.0
71.94104	2.5
72.08151	3.0
73.06179	1.2
73.06563	19.6
79.05498	34.6
80.05006	2.7
81.03467	1.8
81.07062	100.0
82.06559	2.5
82.07377	1.7
83.04999	6.7
83.08604	2.5
85.06573	1.1
88.95301	2.4
89.04322	1.2
91.05482	12.0
93.03404	6.6
93.06465	2.7
93.07050	48.0
95.04975	6.3
95.08611	10.7
97.06528	12.8
105.07012	4.3
107.04921	4.4
107.08604	46.7
108.08136	2.4
109.06505	4.1
109.10179	8.4
110.03587	2.3
111.03808	2.0
111.04465	21.8
111.08080	10.3
111.96856	4.5
119.08586	2.5
125.06027	7.2
125.06955	1.2
125.09625	3.2
126.05499	1.5
129.97902	3.9
130.96278	2.8
135.04410	6.3
135.08032	4.4
135.11691	27.7
148.97366	6.5
153.01825	5.8
153.04709	19.1
153.09082	5.0
153.10184	2.2
153.12753	14.6
154.04597	1.8
154.08661	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	Levodione
Peak:m/z	Relative Intensity
53.03944	0.4
55.05513	2.8
55.93533	0.9
57.07069	1.4
59.05000	1.6
65.78230	0.4
65.96979	0.5
67.05505	10.0
69.03431	1.2
69.07064	9.4
69.96165	0.9
70.95866	3.0
71.01352	3.4
71.04987	3.9
71.57403	0.7
72.93788	100.0
73.07703	0.5
73.54468	0.5
79.05496	2.3
81.03442	0.5
81.04556	0.6
81.07058	3.6
83.04984	3.4
85.02890	0.8
85.06558	0.5
85.10184	1.5
87.04457	0.9
88.96915	1.5
90.94825	27.7
91.05509	0.8
93.07053	1.7
95.04979	2.7
95.08599	8.4
97.06527	9.6
98.98470	3.0
99.04470	2.1
100.94395	0.7
104.96404	0.7
108.95876	4.6
109.06533	1.6
109.10156	9.2
110.06052	1.1
110.07165	0.6
111.04416	2.7
111.98481	1.2
112.26163	0.5
113.06001	2.2
113.09651	2.6
113.96399	54.7
114.96450	0.5
115.05429	0.6
119.08577	0.8
122.07279	0.5
125.33826	0.5
127.03914	1.1
127.07573	0.9
127.97935	0.8
129.07062	0.6
131.96381	1.4
131.97435	41.8
132.95844	3.1
137.06064	0.9
137.09616	12.5
141.07047	1.0
149.97227	4.0
149.98387	0.9
150.96877	6.8
154.99010	5.6
155.03351	0.8
155.06035	4.7
155.07077	5.8
155.08580	4.8
155.10628	4.2
155.14334	1.5
155.97495	0.6
156.08174	1.0
156.09308	0.9
173.98555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
56.05024	0.6
56.96570	6.8
57.03431	1.2
58.99858	1.0
61.02922	0.9
69.03421	1.0
70.06585	0.6
70.95871	0.7
71.57652	0.6
72.08154	0.7
73.02901	1.6
74.09712	1.3
75.01041	1.8
77.00869	0.9
78.52960	0.8
82.01448	1.4
82.05312	1.2
82.99856	1.3
83.00779	1.2
83.01482	0.5
83.06113	4.0
84.01568	3.9
85.01394	1.1
85.02914	1.6
85.07658	0.9
85.72721	0.4
89.00842	0.6
92.01323	0.5
92.52695	0.5
93.02103	2.0
93.04538	3.4
95.00747	0.5
95.01324	1.0
95.06088	2.9
96.01559	1.7
96.96947	0.5
97.02876	0.7
98.01291	0.6
98.09701	7.4
98.97565	1.3
100.02491	4.4
101.00881	24.6
101.02566	1.8
102.01559	0.9
102.02242	0.6
103.02454	6.8
105.02097	2.2
110.07167	41.4
110.97557	0.7
111.02049	2.5
111.84245	0.4
111.98489	0.4
114.04015	0.6
115.00626	1.0
115.02451	2.5
115.04066	0.5
116.98643	0.9
117.01956	1.2
118.02800	0.5
118.03517	2.2
119.01922	100.0
120.01950	2.8
121.01686	0.5
121.03493	2.9
124.02422	3.7
124.03739	0.5
126.02546	0.7
126.04072	0.5
128.02269	0.5
128.98590	0.9
130.06299	1.8
131.00171	2.4
131.01923	2.3
132.02007	2.3
132.05083	1.8
132.95790	0.7
133.01759	2.6
133.03467	16.9
134.03610	0.6
137.02957	31.9
138.03091	0.9
142.03503	43.6
143.03644	1.2
144.05092	0.5
145.03470	0.5
146.99655	0.8
147.04996	0.4
149.01210	6.1
149.03062	0.5
150.03046	0.6
150.06129	0.6
150.96860	1.8
151.04536	6.5
156.04099	5.8
156.05249	1.2
156.06430	0.6
156.07663	3.5
156.10164	0.6
156.13861	1.5
157.09785	0.4
160.04559	12.7
165.05084	1.4
167.02287	1.6
174.06169	1.3
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	Hormodirene
Peak:m/z	Relative Intensity
53.03939	3.0
55.01855	2.5
55.05516	4.6
65.03944	50.9
67.05168	1.2
67.05504	16.6
69.07057	5.7
71.18998	1.1
71.19339	2.0
79.05495	19.0
80.02655	1.2
81.07058	26.5
83.08651	1.3
91.05470	9.1
91.05966	1.4
93.03418	13.1
93.07042	29.2
95.04941	2.7
95.08588	5.2
98.03667	3.7
99.89126	0.8
103.08722	0.9
105.07031	3.3
107.04958	2.0
107.08597	21.4
108.04541	1.1
111.04462	11.2
121.02866	56.7
121.03973	18.9
121.04826	1.7
121.06506	1.9
121.10143	7.6
149.02344	100.0
149.09645	5.5
149.13261	13.3
150.02675	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03941	4.9
55.01871	3.5
55.05511	6.3
62.21880	1.1
65.03944	54.4
66.04276	1.1
67.05505	17.9
69.07071	9.3
70.32133	5.0
71.90485	1.2
71.90893	1.1
79.05059	2.2
79.05497	38.0
80.05846	1.1
81.03414	2.2
81.07056	43.9
83.08620	3.6
91.05473	17.4
93.03406	10.0
93.07044	54.1
94.62979	1.3
95.04959	5.8
95.08605	8.3
98.03664	2.0
105.07062	6.2
107.04280	2.1
107.04966	29.4
107.07861	1.9
107.08591	39.1
111.04443	8.8
120.05702	5.0
121.02865	60.0
121.03970	15.8
121.06519	2.2
121.10116	11.3
122.03178	1.5
131.08591	1.6
149.02345	100.0
149.09618	16.4
149.13271	24.4
150.02673	2.7
167.03476	1.3
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	Unknow
Peak:m/z	Relative Intensity
50.46495	1.5
53.03933	3.3
55.01862	1.8
55.05501	2.5
56.09062	1.5
57.07055	1.5
65.03600	3.0
65.03943	49.9
66.22166	1.4
67.05477	1.4
69.07056	3.8
71.46560	1.6
75.11665	1.3
79.05503	15.0
81.07026	2.1
89.03926	3.8
91.05476	17.1
93.03388	11.6
93.07043	17.4
95.04987	3.1
97.75919	1.4
98.03703	2.4
103.05495	2.5
105.07036	34.3
107.08596	29.9
109.06477	2.4
111.04446	10.6
119.08602	9.9
120.09314	1.8
120.25730	1.4
121.02866	52.7
121.03977	17.0
121.06515	1.8
121.10148	81.4
122.10515	1.5
123.08070	3.8
133.07591	2.6
134.10939	2.6
149.02342	100.0
149.09613	9.6
149.13281	13.1
150.02699	2.9
151.02461	2.9
167.05539	2.8
169.03461	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	150.055
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03944	4.4
53.40694	0.4
55.01873	2.6
55.05520	0.5
56.04778	0.7
56.05037	10.1
56.96567	13.0
57.03430	1.3
61.01149	5.7
61.02925	0.5
65.03938	6.2
66.04262	2.1
66.52894	0.4
67.05503	27.0
67.93550	0.5
68.99784	0.7
69.03446	0.8
70.06597	0.7
70.98119	1.0
71.09541	0.6
71.09869	0.5
71.95267	1.1
72.93788	2.6
73.02931	0.6
74.02448	0.7
74.06078	1.0
74.97583	0.7
79.05499	4.5
80.04996	0.7
81.03417	1.8
84.01572	0.7
84.04508	1.7
84.08144	1.0
84.09776	0.4
84.96029	0.6
85.02919	1.1
87.02700	1.6
90.94823	2.5
91.05458	0.8
93.05786	1.2
94.06567	76.2
95.04954	3.0
95.06891	0.8
96.04491	2.0
97.00510	0.5
97.02901	0.5
97.99188	0.7
98.01289	0.8
98.97586	3.1
99.03212	0.5
101.52341	0.8
102.05526	1.7
102.53152	0.6
104.05309	4.0
105.02075	0.8
105.07034	0.9
106.01026	1.3
106.06553	21.5
108.04504	0.7
108.05296	0.6
108.95895	0.7
109.05140	3.2
109.50941	1.4
110.01277	1.5
110.52827	1.0
110.97556	0.7
111.04469	0.6
111.53643	1.2
112.04810	0.7
112.07610	1.6
116.98621	1.4
118.51406	7.6
119.01822	2.0
120.00765	0.7
121.02832	0.5
122.03197	4.9
122.04317	1.3
122.06029	45.1
123.06550	0.9
123.07983	1.4
127.01527	1.0
127.51958	1.1
128.02310	1.8
128.98607	1.0
133.03200	3.2
133.05092	2.9
137.02878	0.7
139.01569	0.9
144.04774	0.8
145.03481	0.7
146.99663	0.9
148.02094	0.9
148.03967	0.8
150.02762	13.6
150.05511	100.0
150.07733	71.0
150.09073	3.7
151.05925	1.1
156.03271	0.5
167.97208	0.5
168.06569	16.6
169.07014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Piperonal
Peak:m/z	Relative Intensity
50.01591	0.6
52.03167	0.6
53.03780	0.5
53.03948	4.9
55.01871	6.5
57.03434	1.0
65.03945	15.5
65.10316	0.6
67.05161	1.1
67.05508	14.9
68.99788	0.9
70.63990	1.8
71.01334	0.8
75.18407	0.5
77.03940	3.0
79.05492	1.3
80.02638	1.9
81.03416	0.7
81.07066	1.6
85.02904	2.1
88.04002	1.2
91.05487	10.0
93.03416	0.9
93.07050	1.0
95.01324	1.3
95.04974	10.5
95.08607	1.1
98.21485	0.7
105.03412	1.3
105.04520	2.1
105.07030	1.3
107.04932	0.8
108.02104	18.1
109.02876	2.0
111.04447	4.1
112.01602	0.9
119.04932	4.3
121.04002	1.6
123.04436	1.8
123.08054	1.1
136.01572	2.8
136.05144	0.6
141.05476	14.8
151.03909	100.0
151.05054	38.0
151.07491	6.3
151.11197	1.6
152.01616	0.8
152.04279	1.9
152.05670	3.3
152.06911	0.7
153.03944	0.6
156.92873	0.6
158.15681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	60.0
57.03430	17.4
62.98243	15.6
69.03418	10.9
70.06594	10.1
70.73104	21.1
73.02899	30.6
77.00822	11.0
78.95641	84.8
81.03410	11.4
85.02902	20.9
88.03980	72.0
95.00784	14.6
97.00518	9.7
97.02872	18.3
98.01290	11.7
98.21137	12.5
98.97575	47.3
103.02442	11.7
110.01272	28.7
116.98631	37.8
119.01820	52.0
120.98782	11.6
128.02301	25.4
128.47237	8.5
128.98630	15.4
133.03496	15.4
134.06058	11.9
137.02852	12.1
146.99612	19.9
150.99791	20.8
151.04782	100.0
164.28194	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	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03937	0.8
53.13522	0.4
55.01861	1.1
55.05507	1.2
57.03418	0.5
57.07067	0.9
59.04987	0.8
60.69160	0.4
62.01558	0.4
65.03908	0.6
67.05505	6.2
68.11791	0.4
69.03418	1.2
69.07066	1.8
79.05500	4.2
81.03447	0.7
81.07059	14.2
83.04984	0.8
88.03982	1.1
90.54971	0.4
91.05493	4.7
93.03400	0.5
93.07055	5.1
95.04987	3.6
95.08602	4.2
97.06537	1.3
103.05466	0.4
105.06380	0.7
105.07037	10.0
106.06549	0.6
106.07362	0.5
107.04974	0.5
107.08601	5.8
108.05762	0.7
109.06517	14.2
109.09440	0.7
109.10160	9.0
119.06139	0.6
121.06483	0.9
121.10153	2.8
123.04487	0.5
123.08080	5.2
123.11708	4.7
126.66969	0.4
131.08586	0.6
133.10135	6.1
136.08821	2.0
148.29735	0.4
151.02853	0.6
151.03937	1.4
151.07574	1.5
151.11185	100.0
152.01593	0.6
152.05721	0.6
152.07068	0.7
152.11508	2.0
169.58232	0.4
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	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.03942	1.6
53.06770	1.0
55.01884	1.7
55.05514	11.2
57.03428	5.0
57.07084	2.2
65.03928	4.6
67.05173	2.0
67.05511	31.0
69.03430	3.2
69.07070	48.0
69.38701	1.1
70.94262	6.8
70.95863	3.1
71.04967	1.6
71.18576	1.5
71.18903	1.5
71.94102	4.3
71.95290	1.5
79.05064	1.6
79.05499	28.0
81.07062	35.4
83.04987	6.1
83.08629	6.4
85.06565	2.5
88.95290	1.9
91.05490	5.7
93.03428	2.1
93.07050	46.7
94.06613	1.2
95.04966	3.0
95.08611	19.9
97.06531	20.0
107.04996	2.0
107.07864	2.7
107.08599	51.2
108.04487	1.0
109.06527	1.4
109.10161	34.5
110.10535	1.1
111.04485	6.0
111.08092	6.4
111.96883	3.9
112.04753	1.1
118.34776	1.0
125.06019	3.1
126.06318	1.5
129.97911	1.8
135.11700	100.0
138.05061	1.3
153.05563	5.9
153.07401	4.6
153.09108	2.9
153.12753	87.7
153.50365	1.2
154.04912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
50.44539	0.3
56.10751	0.3
65.03941	0.5
71.11983	0.6
81.84647	0.3
91.05479	23.9
98.21310	0.4
100.01286	0.3
102.08469	0.4
112.24127	0.3
117.05768	3.9
118.06542	100.0
119.06880	1.8
128.84879	0.3
146.06009	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	146.1653
Annotation	Spermidine
Peak:m/z	Relative Intensity
52.28428	0.5
53.03957	0.7
55.05510	1.7
56.05039	1.3
56.96575	4.4
57.03439	0.9
57.24801	0.5
58.06604	10.1
58.99599	0.7
61.01149	4.9
65.03929	0.9
67.04240	2.0
69.03425	0.9
70.06587	1.1
70.11285	0.5
70.39336	2.2
70.99589	1.6
71.05006	1.9
72.08159	100.0
72.56423	0.5
73.08508	1.6
74.02442	1.3
75.02706	0.6
75.09249	3.3
81.03424	0.7
84.01590	1.0
84.04507	3.3
84.08147	18.8
85.01085	0.7
85.02911	0.5
85.08501	0.5
85.78656	0.5
86.06083	1.1
87.02694	0.9
87.04491	0.9
91.05488	8.2
98.21202	1.3
98.97618	1.4
99.04459	2.3
100.02252	1.2
100.04030	0.7
100.04774	0.7
101.04263	1.9
104.90876	0.7
105.00114	1.6
112.11249	24.6
118.03252	0.6
118.06570	1.7
119.04946	8.3
120.02081	0.6
129.13893	4.4
130.04999	1.1
131.00255	0.6
140.99573	0.5
146.02721	3.7
146.06003	3.0
146.16542	1.2
147.04720	10.6
150.44418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58795	0.4
65.03938	11.9
71.27120	0.8
71.27460	0.5
79.48424	0.5
84.04499	2.0
91.05482	100.0
92.05817	2.2
96.87125	0.4
119.04945	90.2
119.08537	1.1
120.05298	1.6
132.04449	0.5
147.04414	33.9
147.62126	0.5
148.04718	0.7
150.97099	0.5
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
65.03941	11.2
70.73363	1.0
75.86533	0.6
82.67965	0.5
84.04524	1.0
91.05480	100.0
92.05814	1.5
100.02222	0.6
101.01751	0.7
101.02975	1.5
119.04944	95.9
120.05264	2.6
143.83504	0.5
147.04411	39.9
148.02528	0.9
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-Glutamate
Peak:m/z	Relative Intensity
56.05030	5.2
69.71543	3.4
70.55166	3.5
70.90203	8.0
70.90534	4.7
82.45155	3.3
84.04049	3.7
84.04504	100.0
102.05527	16.2
130.04997	7.1
145.34958	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	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.01585	0.5
51.02378	0.9
51.78113	0.5
53.03950	4.0
55.01871	0.7
56.96577	1.0
65.03944	12.6
67.05508	1.6
71.42410	0.9
77.03928	1.6
79.05495	44.5
81.03413	0.7
83.04987	0.9
85.04849	1.3
88.80497	0.5
91.05486	12.0
93.02857	0.7
93.03375	2.8
93.07048	33.2
94.06602	0.7
94.07372	0.7
95.04976	7.5
103.05473	100.0
104.05807	2.4
105.04515	1.5
105.07046	1.3
107.04961	22.1
108.05316	0.6
111.04469	2.6
111.12331	0.5
121.02879	14.6
121.03999	3.9
121.06511	13.6
122.06057	0.9
131.04955	5.0
133.05116	0.7
149.02357	28.2
149.05981	5.2
150.02658	0.7
150.05548	0.5
150.07773	2.1
152.35043	0.5
169.03548	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	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03938	4.9
55.01866	3.4
58.57091	1.3
61.78688	1.5
65.03931	5.9
69.03420	3.4
71.28974	2.6
77.58540	1.4
79.05495	20.5
81.07058	2.9
91.05480	61.8
92.21813	1.4
93.03407	2.2
93.06155	2.0
93.07046	34.6
95.04964	4.9
103.01314	1.8
103.05480	9.7
105.04508	1.6
105.07037	45.3
106.07809	3.3
107.05010	1.6
107.08634	3.2
109.06512	3.7
115.05453	9.0
116.06242	24.2
119.08587	8.9
121.02872	5.6
121.03864	1.5
121.06487	16.1
121.10149	35.7
123.08077	6.3
129.07022	11.5
131.08572	28.5
133.06531	3.5
133.07596	4.3
134.07253	4.7
142.74741	1.7
147.08040	4.0
149.02350	12.5
149.09621	100.0
150.09908	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13232	0.9
56.96297	2.2
56.96566	39.7
57.93568	28.0
67.05500	1.9
67.16153	0.8
67.93553	3.9
68.05000	1.1
69.45445	1.0
70.06587	2.3
71.30921	1.7
71.95268	9.3
73.59261	0.9
75.94609	1.0
84.08167	1.3
86.41248	0.9
87.77600	1.0
91.47082	0.9
94.06566	10.3
95.04951	1.3
96.04479	1.0
98.06048	2.7
98.20925	1.3
98.97588	89.5
108.91817	1.0
111.04405	2.0
112.03940	2.8
112.04700	1.2
112.07611	5.3
113.02326	2.7
113.80711	1.5
116.97263	48.7
116.98612	100.0
117.99004	1.2
122.06019	3.3
128.03429	1.0
131.00175	1.4
134.99660	91.8
139.98872	1.1
140.00197	2.5
140.03468	5.1
140.07086	5.1
140.08084	1.5
140.10664	1.5
140.95100	1.6
141.01820	2.4
148.96167	6.0
149.01224	2.7
153.00706	14.0
158.01259	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00452	7.2
69.71166	33.5
73.43307	6.8
85.22518	6.1
98.21027	22.0
101.00897	25.1
119.01935	100.0
137.02927	32.7
137.92546	6.2
142.03499	12.9
160.04559	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99913	3.0
56.96549	8.1
65.98328	2.6
70.01904	12.7
70.06578	7.2
73.02910	3.0
81.04539	7.9
82.74827	2.6
83.81859	2.8
89.45383	3.0
95.06080	3.9
96.08128	3.7
98.21132	7.8
98.97582	11.0
100.02474	5.2
101.00880	39.3
116.98598	4.0
118.03606	3.0
119.01929	100.0
137.02943	19.6
142.03496	14.8
142.08673	6.6
143.03360	6.3
143.08168	3.4
154.03514	2.8
160.04558	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	3.3
56.96558	16.0
62.18593	3.5
67.79241	3.7
69.07092	4.2
70.52330	12.2
77.05492	3.5
77.99137	4.3
81.04542	3.8
82.01364	3.7
82.06553	6.2
98.21027	7.3
101.00881	30.1
118.03449	4.2
119.01920	100.0
137.02983	26.5
142.03520	17.8
159.13898	3.8
160.04539	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	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	0.4
56.96559	2.2
57.03428	0.6
58.56670	0.4
58.99862	2.1
60.95122	0.7
66.52831	0.3
68.05031	0.9
69.03411	0.7
69.04529	0.5
70.06556	0.5
70.28030	1.8
70.28387	0.6
70.99853	1.9
71.95261	2.8
77.00914	4.0
81.04542	38.6
82.05318	0.8
82.99841	1.3
83.06105	1.1
84.04489	1.2
84.08144	2.4
89.00912	1.2
95.01977	1.1
95.06097	20.9
98.21087	1.0
99.05576	1.5
100.02480	0.6
101.00879	19.2
101.95036	12.9
102.00934	1.0
107.06098	0.6
115.02453	0.5
116.98638	0.5
118.03524	0.6
119.01923	100.0
119.96078	6.7
119.96862	0.8
119.98834	0.5
120.01992	4.1
121.02354	0.7
124.02497	0.4
125.07113	16.3
133.03470	2.8
137.02959	31.0
137.97107	6.7
137.99847	0.7
138.03082	1.3
142.03513	3.4
143.01976	2.7
143.03387	2.0
143.08159	8.4
144.05055	1.4
144.10190	4.5
155.98186	2.5
160.04555	0.8
160.98756	0.7
161.02962	4.1
162.06149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03454	0.8
56.96555	1.7
58.87622	0.5
58.99860	2.1
61.02928	0.5
62.68145	0.5
63.40211	0.5
64.47855	0.5
68.05027	0.5
70.36787	1.3
70.99850	2.3
71.95287	0.9
77.00905	4.7
81.04542	46.4
82.04848	0.5
82.99854	1.4
83.06099	1.7
84.04500	1.7
84.08141	3.5
85.02914	0.7
87.02690	1.1
89.00888	1.2
95.01943	1.7
95.06093	25.4
97.02880	0.6
98.21190	1.1
99.05580	1.5
101.00883	17.3
101.95033	4.1
102.00944	0.6
107.06068	1.0
118.03529	1.0
119.01924	100.0
119.96065	2.3
120.02019	3.3
125.07121	17.2
131.01926	0.6
133.03473	2.6
137.02960	30.9
137.97084	2.4
138.03094	0.8
138.98975	0.7
142.03508	3.2
143.01944	2.6
143.03377	3.2
143.08154	9.9
143.09187	0.8
144.05023	2.3
144.06686	0.6
144.10229	1.1
151.04492	0.7
155.98143	1.3
160.04655	0.7
161.02975	4.5
162.06136	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23074	0.2
67.02975	0.3
69.51730	1.5
91.05482	0.6
92.02479	0.8
94.04050	3.7
98.20893	0.8
107.17506	0.2
109.05145	0.8
112.05141	0.5
113.00887	0.8
119.03555	10.8
119.04887	0.5
131.01909	2.8
136.06187	100.0
137.04596	6.7
137.06543	0.8
149.02969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.09620	0.7
53.03936	1.5
63.11889	0.7
65.03939	1.8
65.69684	0.7
66.04732	7.8
69.36213	2.3
69.36636	4.0
77.60753	0.7
79.05501	4.3
81.07041	1.8
91.05502	3.6
94.04193	46.4
95.04994	1.3
107.04967	2.6
109.06523	1.7
112.12733	0.7
122.03656	68.1
123.04013	1.1
134.90085	1.0
137.05984	100.0
138.06306	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03952	2.0
55.01859	0.7
55.05526	0.8
57.68261	0.5
65.03937	1.7
66.04716	6.0
67.05505	9.4
67.05827	0.8
69.03431	0.5
70.70388	1.0
70.70706	0.5
73.81096	0.4
75.65417	0.5
77.03922	1.1
79.05500	5.0
81.07061	4.4
84.88971	0.4
91.05482	6.9
93.07034	0.9
94.04188	48.7
95.04999	2.2
95.08617	1.4
98.21044	0.6
101.64551	0.5
105.03389	0.6
107.04957	6.2
109.06516	1.8
109.10159	7.9
119.08563	3.4
121.06504	2.3
122.03649	63.7
122.07284	21.1
123.03986	1.3
135.04381	0.8
135.08008	1.0
137.05975	100.0
137.09599	18.7
138.06310	2.0
138.09900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03979	1.5
55.01898	0.7
65.03967	1.9
66.04724	7.3
67.05495	2.6
67.10348	0.5
69.03438	0.8
70.94721	0.5
74.78440	0.5
77.03943	1.2
79.05494	5.1
81.07060	3.8
90.00179	0.5
91.05480	6.2
93.07045	1.0
94.04190	50.4
95.04989	2.8
95.08617	1.6
107.04973	1.8
109.06537	1.8
122.03653	70.7
123.03984	1.4
135.04388	0.6
137.02464	2.0
137.05972	100.0
137.09523	2.5
138.05441	0.8
138.06345	1.6
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	4-Propylphenol
Peak:m/z	Relative Intensity
53.03935	2.8
54.93579	1.0
55.01866	1.3
55.05493	3.1
55.85059	0.8
65.03921	3.6
66.04719	6.5
67.05504	32.6
69.03420	1.7
69.07050	2.4
71.38441	1.4
77.03905	2.2
79.05492	9.2
81.03369	1.3
81.07053	14.0
91.05483	23.0
93.07043	6.5
94.04189	45.9
94.07831	0.8
95.04456	0.8
95.04983	6.6
95.08602	8.9
103.05439	1.7
104.06220	1.8
105.03434	1.0
105.04489	1.1
107.04956	26.5
107.08566	1.3
109.06487	3.4
109.10158	36.1
109.10915	1.8
110.06061	0.9
117.07005	1.6
119.07796	1.1
119.08585	17.1
121.06519	9.4
122.03648	68.4
122.07283	97.7
123.03948	1.0
123.07620	0.9
124.15308	0.7
135.08014	3.6
137.02452	3.5
137.05959	100.0
137.09612	89.3
138.05437	1.5
138.06366	1.9
138.09901	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03946	5.8
53.60863	2.6
55.01865	5.4
55.05495	11.0
65.03928	7.1
66.78155	2.6
67.05505	47.2
69.07078	4.0
70.77521	6.6
79.05502	17.4
80.05020	2.4
80.77370	2.2
81.03402	6.2
81.07053	29.9
85.28841	2.7
91.05481	39.9
93.07041	21.6
94.04182	10.9
95.04401	2.7
95.04973	37.4
95.08611	38.7
96.04470	2.8
98.21188	4.9
105.04525	2.2
107.04964	6.8
107.08606	2.6
109.06525	16.9
109.10152	18.2
110.06067	7.2
119.04928	6.9
119.08587	8.5
120.03786	3.4
120.04520	4.7
121.06518	13.2
122.03649	10.6
122.07293	51.3
137.02489	22.6
137.04758	5.3
137.05899	26.5
137.06772	20.4
137.09615	100.0
138.01758	2.8
138.05496	8.0
146.12584	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
50.56063	0.9
53.00294	1.1
53.03946	2.4
55.05517	7.9
55.93513	1.4
56.96571	6.4
57.07075	15.1
65.03944	1.4
67.05509	35.4
69.03453	1.1
69.07069	7.0
69.56981	4.8
69.57381	2.1
72.93807	2.1
79.05495	12.8
80.05005	1.1
81.03404	1.1
81.07061	63.1
82.07411	1.8
90.94833	1.2
91.05480	13.0
92.84797	0.9
93.07046	11.0
94.04200	4.9
95.02611	2.8
95.04968	5.4
95.08611	100.0
96.08939	1.8
98.21422	2.0
103.05472	0.9
103.13957	1.2
104.03123	1.7
105.07043	1.5
107.04957	2.4
107.08582	2.8
108.09332	1.2
109.06532	5.4
109.10167	11.2
110.06049	2.0
115.05376	1.1
119.04919	1.5
119.08624	1.8
120.04498	1.4
122.03654	6.4
122.07279	2.8
127.31496	1.0
137.02507	8.0
137.04539	0.9
137.04755	1.5
137.05945	13.9
137.06638	6.1
137.09645	10.4
137.13243	12.9
138.01727	1.4
138.05576	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.29988	1.7
53.03934	8.0
55.01867	4.4
55.05517	10.4
65.03919	3.3
67.05507	26.2
69.07075	9.4
70.12420	1.5
70.89748	4.9
79.05494	93.0
81.03391	2.5
81.07059	29.6
89.03892	6.6
91.05481	47.2
93.07049	100.0
94.04075	2.6
95.04955	11.7
97.40529	2.1
104.89725	1.6
105.04521	3.0
105.07043	14.1
107.04949	14.4
107.08599	69.8
109.01075	2.1
109.06512	2.8
115.05426	5.1
117.03342	2.5
117.06970	3.8
119.03545	7.6
119.08598	3.5
133.10106	2.2
135.04425	8.8
135.07100	2.8
135.08061	38.3
135.11696	55.2
136.02164	31.2
136.05139	3.7
136.06189	65.0
137.04564	5.3
151.88817	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	7.0
54.55769	1.3
55.01874	3.7
55.05518	12.4
56.68822	1.1
65.03940	3.3
67.05508	47.5
69.03447	2.3
69.07076	10.4
69.50350	9.2
79.05501	78.2
81.07063	35.3
91.05490	44.0
93.07053	100.0
94.04060	2.4
94.07366	1.4
95.04984	14.0
105.04537	4.4
105.07034	11.8
107.04947	10.7
107.07861	2.9
107.08604	60.5
108.08906	1.7
109.01106	4.2
109.06538	2.9
115.05499	2.1
117.07025	3.6
119.03566	7.7
119.06084	2.9
119.08569	7.3
132.85040	1.3
133.10135	1.9
135.04420	7.7
135.05507	3.3
135.06490	2.2
135.08080	18.9
135.09067	2.0
135.11703	56.4
136.02176	39.0
136.06197	80.9
136.07506	3.3
137.04605	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03952	8.6
55.01862	2.8
55.05512	10.4
65.03944	3.0
67.05506	49.4
69.07063	11.2
69.50861	7.6
79.05495	81.6
80.04980	2.1
80.05837	1.4
81.03402	1.7
81.07056	34.1
82.07407	1.3
91.04896	1.5
91.05479	44.7
93.07045	100.0
94.04050	3.7
94.07333	1.9
95.04969	12.0
98.20883	2.5
105.04528	3.2
105.07048	11.1
107.04950	10.3
107.08596	61.7
109.01093	2.7
109.06532	3.7
111.46286	1.0
115.05469	3.4
117.07040	4.0
118.06496	1.7
119.03552	8.7
119.06069	2.2
119.08558	9.5
120.09396	2.1
133.10112	1.9
135.04414	6.2
135.05542	3.2
135.06491	1.2
135.08072	12.9
135.09128	2.4
135.11694	64.5
136.02170	31.6
136.06184	86.9
136.07558	3.6
136.12048	1.7
137.04594	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03940	4.1
55.05506	6.3
59.85094	1.4
65.03938	4.0
67.05518	3.1
69.07078	1.5
71.17159	3.3
74.94057	1.3
79.05495	23.7
81.07057	3.4
91.05484	58.7
93.07043	54.5
95.04974	8.0
104.06245	2.1
105.07031	31.6
105.07675	2.8
107.04251	1.4
107.04979	5.2
107.08599	100.0
108.08946	2.1
109.06512	8.8
115.05438	2.3
116.80109	1.5
117.07014	3.9
117.99173	1.6
119.06093	4.7
119.08582	25.7
120.09394	8.2
133.10170	2.9
133.18216	1.4
135.04411	2.4
135.08041	8.3
135.11696	39.5
135.12715	2.7
136.02153	6.0
136.06194	20.6
136.12021	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03954	5.9
55.05514	9.5
58.77761	1.1
65.03934	2.6
69.07073	1.7
70.05123	4.4
77.03883	1.1
79.05502	18.4
81.07055	1.3
91.05482	58.1
92.05782	1.8
93.07047	42.2
95.04984	7.2
95.08657	1.3
98.21068	3.0
100.46918	1.3
103.05474	2.3
105.07035	32.5
107.08599	100.0
109.06538	9.2
115.05486	1.4
117.07030	3.0
119.06056	3.2
119.08586	22.3
120.09365	5.5
124.05221	1.5
135.08028	4.5
135.11703	25.3
136.06190	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	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
50.19317	0.2
52.92620	0.2
57.48660	0.2
57.56587	0.2
67.02986	0.6
69.63837	0.3
70.93821	0.3
70.94162	0.4
89.55385	0.2
92.02479	0.6
94.03499	0.3
94.04051	3.9
104.15928	0.2
109.05102	0.7
109.32694	0.2
112.05093	0.3
113.78930	0.2
119.03551	11.7
131.01859	0.3
136.06184	100.0
137.04593	6.5
137.06554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
55.01857	2.9
55.05502	2.9
57.73999	1.2
63.02365	3.4
65.03940	1.7
67.05503	4.0
71.57800	2.0
73.07031	1.3
78.36198	1.4
79.05490	32.7
80.05042	2.1
81.07040	3.7
89.03916	62.0
91.05482	23.6
93.07040	28.2
95.04962	9.3
103.05473	1.7
104.68364	1.3
105.04507	3.5
105.06995	7.6
107.04957	21.7
107.08592	37.6
107.09291	2.5
109.01115	1.6
109.06503	3.7
115.05423	1.8
117.03374	23.9
117.07018	4.5
119.03546	7.2
119.06084	1.9
119.08613	4.1
135.04428	44.6
135.06398	3.0
135.08049	13.2
135.11702	9.2
136.02161	18.4
136.06184	100.0
137.04630	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03938	3.8
55.01872	17.1
55.05499	2.0
57.26972	1.3
65.03935	12.2
67.05184	1.2
67.05502	9.4
69.03436	14.3
70.44910	3.0
79.05496	62.9
81.07069	2.2
91.05488	100.0
92.06271	1.5
93.07046	17.7
94.04063	2.4
95.04962	10.9
98.21461	1.2
103.05440	1.6
105.04544	1.5
105.07036	30.8
106.07359	1.4
107.04973	8.8
107.08598	64.8
109.01135	1.5
109.06520	13.6
111.09879	1.1
115.05457	29.2
115.06264	1.6
117.07024	22.8
119.03574	4.6
119.06088	7.2
119.08577	3.0
120.05727	1.9
124.05186	1.4
127.35043	1.2
127.36487	1.1
135.04501	5.2
135.05499	2.5
135.08061	46.7
135.09120	2.3
135.11649	5.9
135.37260	1.7
136.02176	24.9
136.06194	63.7
137.04594	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02372	1.0
53.03955	5.6
55.01871	12.1
55.05508	2.3
59.73483	0.9
62.86659	1.2
64.51937	1.0
65.03943	11.7
67.05502	7.9
69.03424	9.6
70.82236	2.0
70.82563	1.2
72.08151	4.0
72.93797	1.0
77.03944	1.3
78.23341	1.1
79.05495	65.3
79.47777	1.1
80.05788	1.3
81.03415	2.9
81.07066	2.7
89.03925	7.0
91.05481	90.1
92.05769	1.7
92.06285	2.5
93.07046	26.1
94.04102	1.9
95.04981	11.6
98.21085	1.3
103.58716	1.1
105.04494	1.9
105.07034	24.8
106.04190	1.5
107.04960	14.9
107.08594	49.8
108.08162	1.0
108.08902	1.3
109.01103	2.2
109.06520	12.3
115.05458	21.8
117.03347	1.8
117.07022	16.4
117.75978	1.3
119.03563	7.6
119.06084	5.6
119.08580	2.6
120.05812	1.7
124.05214	1.3
135.04425	10.5
135.05452	2.1
135.06516	2.3
135.08064	56.3
135.09094	3.0
135.11661	7.9
136.02167	27.4
136.06189	100.0
136.11218	1.7
137.04578	6.2
143.59717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03957	5.1
55.01868	13.1
65.03944	9.5
67.05504	8.1
69.03434	19.8
71.18732	5.3
71.19091	2.8
79.05501	49.8
91.05486	97.0
92.05799	2.4
93.07062	19.3
94.04092	2.9
95.04991	11.8
98.21141	2.7
105.07034	35.3
107.04967	7.3
107.08596	56.9
109.06537	14.7
112.13264	2.9
115.05468	25.6
117.07033	16.6
119.03561	9.7
119.06075	6.6
119.08572	3.6
124.16390	2.7
125.83862	2.3
131.60616	2.9
133.12697	2.2
135.04453	5.7
135.05516	3.5
135.06575	2.6
135.06857	2.5
135.08070	55.9
135.09102	5.0
135.11714	5.3
136.02173	25.8
136.05154	5.0
136.06194	100.0
137.04607	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03947	7.5
55.01876	4.4
55.05510	9.3
65.03945	4.7
67.05502	16.3
69.07076	5.9
71.57137	1.6
79.05498	53.1
81.07059	16.8
91.05057	1.1
91.05486	37.9
93.07050	62.6
94.04071	3.5
95.04995	9.4
96.37243	1.4
105.04519	3.2
105.07043	8.3
106.28642	1.2
107.04957	8.8
107.08601	45.5
109.01113	3.3
109.05096	1.6
109.06519	3.9
115.05460	9.7
117.07032	5.6
119.03555	11.5
119.06080	2.0
119.08591	3.5
135.04430	7.3
135.05450	3.1
135.06480	1.6
135.08076	22.8
135.09122	3.5
135.11707	31.9
135.83464	1.5
136.02174	34.6
136.06194	100.0
136.07489	4.6
136.11282	1.4
137.04604	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.4
53.03944	8.3
55.01858	5.5
55.05309	1.1
55.05513	13.0
65.03928	4.8
67.05504	34.8
69.07056	6.7
69.60228	7.7
74.02451	1.1
75.73370	1.1
76.41915	1.2
77.03921	1.4
77.06037	1.3
79.05492	83.0
81.03400	2.7
81.07056	24.5
88.46735	1.2
89.03933	9.0
91.05480	55.3
93.07041	97.8
94.04023	3.3
94.07355	1.6
95.04969	15.2
105.04516	2.8
105.06382	1.5
105.07030	15.5
107.04958	13.5
107.08593	86.9
108.08167	1.3
108.08878	1.6
109.01098	4.3
109.06506	6.7
112.03889	1.1
115.05471	4.9
117.03383	2.4
117.06992	3.5
119.03561	8.4
119.06073	3.3
119.08566	4.6
133.10168	1.4
135.04442	13.5
135.05449	2.1
135.06538	2.1
135.06857	1.6
135.08067	27.9
135.09125	2.8
135.11691	53.6
136.02164	39.2
136.06186	100.0
137.04597	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03955	5.5
55.01870	2.9
55.05512	9.8
57.07102	1.1
59.42561	1.0
60.42052	0.9
64.76225	1.1
65.03947	4.2
67.05505	21.2
69.07070	6.8
70.10367	3.8
73.19347	1.1
77.03904	1.1
78.97265	0.9
79.05495	61.6
81.03439	0.9
81.07056	22.3
91.05486	46.6
93.07049	76.9
94.04063	2.4
95.04975	10.0
102.52755	1.3
105.04531	3.3
105.07030	19.0
107.04954	7.9
107.08598	100.0
108.08947	1.8
109.01122	2.3
109.06525	8.5
115.05494	1.0
117.07023	1.2
119.03541	4.3
119.06071	4.1
119.08564	1.3
135.04417	5.7
135.05452	2.3
135.08069	19.2
135.09071	1.5
135.11702	40.7
136.02168	23.8
136.05162	2.6
136.06192	46.4
136.07619	2.0
137.04585	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
53.03946	4.3
55.01867	0.8
55.05516	3.1
59.62473	0.5
59.83130	0.5
61.91443	0.5
65.03929	1.2
67.05502	1.3
68.30555	0.5
70.44482	0.5
70.44805	1.6
77.03919	1.1
78.04679	0.6
78.45197	0.4
79.05494	15.6
81.03433	0.5
85.01126	0.7
91.05485	31.7
92.05805	0.9
93.07039	6.8
95.04978	6.4
103.05472	9.6
105.03374	0.8
105.04536	1.4
105.07030	85.3
106.07367	1.5
107.08579	2.0
114.98102	0.5
115.05456	8.3
116.06220	1.9
117.07014	11.8
118.07813	10.1
123.07937	1.2
131.08563	11.9
133.06544	3.8
133.10132	100.0
134.10460	2.2
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
51.02375	0.3
53.03951	1.3
55.05513	2.5
65.03927	0.6
67.05494	0.7
71.18346	0.3
71.18664	0.2
77.03913	0.4
79.05497	7.6
79.05962	0.4
81.03418	0.3
91.05482	22.1
92.05794	0.2
92.06306	0.3
93.07047	6.3
95.04982	2.1
103.05477	4.3
104.06254	0.3
105.07034	55.3
106.07355	1.0
107.08606	1.5
112.02198	0.9
113.02970	0.3
115.04668	0.5
115.05465	7.8
116.06248	1.6
117.07019	9.9
118.07809	9.6
118.08663	0.4
119.52335	0.2
123.07950	1.1
129.07036	0.5
131.08571	7.9
133.10133	100.0
134.06075	0.3
134.10461	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03947	1.8
54.03477	0.9
55.05517	4.6
58.07119	0.5
65.03933	0.9
67.05508	4.2
70.06596	1.2
70.41814	0.6
71.46354	1.0
74.02445	0.8
79.05492	12.2
81.04548	2.2
82.05326	1.3
87.02712	1.2
87.10059	0.8
88.02232	0.9
91.05486	49.3
92.05824	1.0
92.65974	0.5
93.07052	2.3
95.04977	2.0
103.05463	4.5
105.07036	100.0
106.06574	1.5
106.07372	1.9
110.06046	1.0
111.28152	0.6
112.02183	5.2
113.02982	3.4
115.05466	2.0
116.06190	0.5
117.07008	1.4
118.07825	2.4
119.39622	0.5
123.07951	8.9
126.03740	0.7
131.08578	5.8
133.02789	0.8
133.06506	7.1
133.07623	5.4
133.10135	30.7
134.06004	1.4
134.07011	0.6
134.10500	0.7
144.04845	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.01601	0.3
53.03941	1.5
54.32098	0.4
55.05507	2.7
56.66923	0.4
65.03931	0.8
66.61672	0.3
67.05505	0.5
70.86588	0.9
74.02438	0.8
77.03902	0.7
79.05499	8.4
81.04541	0.8
82.05290	0.4
84.74664	0.3
87.02659	0.4
91.05481	22.2
92.05760	0.5
92.06298	0.4
93.07040	5.7
95.04955	1.9
98.21047	0.4
103.05473	4.4
105.03447	0.5
105.07030	59.1
106.06548	1.6
106.07356	1.3
107.08584	1.5
112.02202	1.8
113.02981	0.9
115.05464	8.1
116.06244	1.5
117.07026	8.6
118.07802	10.2
118.50098	0.5
119.08094	0.4
123.07936	2.6
129.07021	0.6
131.08571	8.3
133.02942	0.4
133.06479	1.5
133.10129	100.0
134.06007	1.2
134.10455	2.4
144.04790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.045
Annotation	Aspartate
Peak:m/z	Relative Intensity
50.78375	19.1
53.97667	21.6
60.34278	24.4
62.81893	22.6
67.17834	21.5
70.19935	100.0
70.95497	22.9
74.02431	53.6
88.03983	27.6
134.01892	28.8
140.47487	21.9
146.18214	26.1
151.99231	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03942	5.2
54.32418	1.3
55.01872	2.1
55.05501	2.1
62.78254	1.1
63.02368	4.4
65.03923	2.5
65.43505	1.1
69.07066	1.7
70.64984	4.2
74.65649	1.3
77.03913	1.4
79.05494	23.0
85.01125	6.0
89.03918	100.0
90.04234	1.8
91.05490	11.8
93.07050	9.1
94.84006	1.2
95.04987	9.1
105.04498	3.6
105.07040	3.9
107.04959	22.1
107.08593	12.3
109.06548	1.5
115.05479	1.5
117.03378	36.6
118.03694	1.4
119.03548	3.0
134.06267	1.3
135.04419	73.4
135.08047	7.3
135.11679	4.2
136.02168	11.0
136.06183	35.2
137.04607	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03931	5.1
57.12378	1.1
57.14704	1.1
63.02364	5.2
69.80794	3.8
69.81210	3.2
79.05489	21.6
80.39713	1.1
85.02526	1.2
89.03917	100.0
90.04230	1.8
91.05469	6.8
93.07038	4.4
95.04974	8.3
105.04507	2.1
105.07018	2.1
107.04952	20.8
107.08609	6.0
117.03380	35.7
119.03535	1.6
135.04411	65.5
135.08061	4.4
135.11662	1.7
136.02182	4.0
136.06194	20.1
136.07251	2.2
137.04567	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
53.03955	10.7
55.01862	3.6
63.02374	3.9
65.03944	3.2
67.05502	3.1
69.07091	1.9
71.58076	2.5
79.05499	41.0
86.40486	1.7
88.11671	1.7
89.03922	95.2
91.05482	29.9
93.07035	17.4
93.48304	1.9
94.04050	4.4
95.04980	14.9
105.00735	1.9
105.04515	4.7
105.07046	11.4
107.04969	24.9
107.08596	28.8
109.01107	2.9
109.06498	4.8
115.05427	6.0
115.14972	1.5
117.03384	31.4
117.07008	5.6
119.03545	6.6
119.06870	2.5
119.08585	4.6
135.04425	83.8
135.08044	20.9
135.09019	3.1
135.10008	4.1
135.11713	11.5
136.02161	23.4
136.06192	100.0
136.07550	8.0
137.04622	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02366	0.6
51.66599	0.4
53.03723	0.4
53.03944	2.4
54.03478	0.6
55.01869	1.6
55.05511	3.6
57.47824	0.4
58.38565	0.4
61.01143	0.4
61.17020	0.5
65.03951	1.1
67.05496	1.2
70.06577	0.5
70.07410	0.5
71.56968	0.4
74.02441	4.1
77.03913	2.0
78.04691	0.8
78.26836	0.4
79.05491	14.4
81.04533	1.8
82.05344	0.7
85.01133	1.4
87.02681	1.0
87.10033	1.4
88.02234	0.6
88.03983	1.6
91.05479	30.2
93.07036	5.8
95.04977	3.5
98.21171	0.6
103.05463	8.5
105.03417	2.6
105.04525	1.3
105.07031	100.0
106.06618	0.9
106.07361	1.7
107.08587	2.2
112.02186	3.0
113.02997	2.2
115.05459	9.4
116.06214	1.4
117.07011	10.4
118.04157	1.2
118.07811	9.3
119.08305	0.5
123.07935	4.5
129.07039	0.7
131.08572	11.1
133.02861	2.4
133.06516	21.3
133.07530	1.5
133.10130	90.2
134.05960	0.8
134.06856	0.8
134.10518	2.2
144.04813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
56.71225	0.6
57.05384	0.7
65.03944	1.1
70.03754	1.0
74.09753	0.6
75.68231	0.5
84.04502	2.1
84.08134	1.0
85.04836	4.8
85.08477	4.1
86.09705	2.6
91.05484	100.0
92.05813	1.9
98.21131	3.1
100.19115	0.6
103.05473	4.7
104.05790	2.1
113.07955	2.8
113.36810	0.7
115.05451	7.6
116.06245	24.3
117.06586	0.6
128.06224	1.5
129.07011	15.9
131.06955	23.1
131.08563	84.0
131.16264	0.7
132.08046	0.8
132.08902	1.7
133.06491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
54.08315	0.5
57.03426	0.6
58.07428	0.6
65.03944	1.7
69.29272	1.7
69.29697	3.7
74.09728	0.6
74.93081	0.5
84.04516	0.8
84.08164	1.3
85.04839	2.9
85.08475	4.7
85.30949	0.5
86.09701	1.6
91.05484	100.0
92.05814	1.7
96.54206	0.6
99.63047	0.5
103.05489	4.5
104.05763	0.6
105.07040	0.8
113.02374	0.5
113.07965	2.7
115.05459	7.7
116.06243	24.0
128.06239	1.8
129.07018	15.5
131.06882	8.6
131.08566	81.4
131.16260	1.0
132.08049	0.8
132.08914	1.4
133.06465	1.1
143.05978	0.8
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
56.05030	0.4
57.05811	0.3
58.06593	0.8
59.32367	0.3
69.07071	21.8
70.66116	0.9
84.36694	0.3
86.09708	100.0
87.02711	0.3
87.10017	0.5
102.85149	0.3
110.27666	0.3
120.86335	0.3
127.46855	0.3
132.10213	0.8
139.68552	0.3
144.25169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0319
Annotation	THTC
Peak:m/z	Relative Intensity
53.03944	5.2
55.01888	4.1
56.05032	1.6
56.96570	3.3
57.03443	8.8
58.99588	14.3
59.02533	0.7
59.96730	3.4
60.95844	1.3
61.01154	79.2
61.02918	1.7
62.99084	0.8
69.03450	3.5
69.47147	5.3
70.06594	11.7
70.07410	1.0
71.01352	2.0
72.00356	3.9
73.02921	5.3
74.02448	9.3
74.06094	3.3
74.99059	4.6
75.02702	3.7
77.00615	5.1
77.03920	1.0
83.01327	0.9
84.01559	1.3
85.01115	7.8
85.02903	13.1
86.09716	1.8
86.99043	1.1
87.02697	100.0
87.05585	0.9
87.10048	5.4
88.03996	2.8
91.00498	0.7
91.02195	2.9
91.05450	0.8
93.02012	1.1
93.90797	0.7
98.97621	1.3
100.02498	1.4
101.00872	0.9
103.02464	1.3
104.01295	1.2
105.00083	4.5
105.03730	6.7
105.07050	4.0
111.02931	0.9
113.01807	0.9
115.02407	1.3
116.07108	1.9
116.98619	0.7
119.01897	3.8
121.03519	1.8
122.80249	0.6
131.01923	1.7
132.90533	3.0
133.03207	21.8
133.06599	0.7
133.07646	1.2
133.10188	1.8
134.11809	1.2
137.03008	1.4
151.04539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02384	1.1
53.03957	3.5
54.03429	0.4
55.01870	3.7
61.01151	0.9
65.03946	0.5
65.80175	0.5
66.04723	1.2
73.02940	0.5
74.02442	3.3
77.03923	2.8
78.04704	0.7
79.05497	19.2
81.04546	1.0
82.05335	0.6
85.01154	0.8
87.02692	1.3
87.10036	2.0
88.03992	1.5
89.03926	0.4
90.04710	1.4
91.05486	6.9
91.89074	0.4
93.07034	1.0
95.04976	4.7
103.04781	0.9
103.05471	14.7
104.05738	0.5
105.03407	3.5
105.04535	1.3
105.07035	100.0
106.06642	0.8
106.07368	2.5
107.04951	1.2
112.02190	4.0
113.02989	1.8
115.05458	5.5
117.07043	0.9
118.04171	7.0
118.06063	0.6
118.07803	0.9
123.07942	5.8
125.03011	0.4
131.04944	1.7
131.08595	1.5
132.05673	0.5
133.02869	4.9
133.06502	88.8
133.10127	7.5
134.03615	0.8
134.05994	1.4
134.06903	3.0
144.04811	1.3
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	Tetralin
Peak:m/z	Relative Intensity
53.03942	1.5
55.05521	3.0
62.25035	0.6
63.59620	0.5
65.03944	1.0
67.05501	1.4
70.16814	0.5
71.47291	0.7
77.87765	0.6
79.05495	9.9
91.05482	25.7
92.05817	0.9
92.48561	0.5
93.07054	5.5
95.04993	2.4
97.04278	0.5
103.05469	6.0
105.07032	100.0
106.07362	2.0
107.08590	1.2
112.02193	1.5
115.05480	5.7
116.06284	1.1
117.07034	6.2
118.07809	7.8
120.54025	0.6
122.49108	0.5
123.07927	1.7
131.08563	10.5
131.09503	0.7
133.06554	4.5
133.10132	44.4
134.10466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0708
Annotation	L-Baikiain
Peak:m/z	Relative Intensity
53.03952	1.1
55.01880	0.3
55.05512	43.9
55.93540	0.3
56.05042	0.7
56.05836	0.4
56.96566	0.5
67.04272	0.3
69.03407	0.3
69.52113	0.3
71.25874	0.3
72.08151	0.4
80.05017	0.5
82.06581	100.0
83.06915	0.7
84.08144	0.8
100.07621	3.0
110.03238	0.4
110.06065	0.4
112.11257	0.8
128.03406	0.3
128.04240	0.9
128.07082	17.7
129.01865	0.8
129.07523	0.3
138.09032	0.3
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	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03951	1.5
55.01860	1.0
56.05036	2.5
57.07071	3.1
66.83822	0.3
67.05486	0.8
68.05016	1.0
69.03429	9.7
69.07058	1.4
70.02477	0.9
70.02892	0.6
70.06575	0.8
70.99579	22.2
71.04984	0.9
71.99081	0.3
74.09705	1.8
77.03933	0.4
78.03452	0.5
82.06573	0.5
83.71159	0.3
84.04504	29.2
84.08142	12.0
84.08525	0.2
85.01126	3.2
85.02897	0.7
87.02697	3.3
95.04961	2.4
96.04492	2.2
98.21262	0.7
102.04647	0.3
102.05479	0.5
103.05469	18.1
105.04541	0.7
112.07606	23.5
125.44631	0.3
128.04947	2.2
128.18567	0.3
130.03265	5.4
130.06528	100.0
130.15919	3.4
131.04956	0.6
131.06879	1.8
146.06009	1.3
148.59804	0.3
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
50.33439	0.1
53.03950	1.1
56.05033	0.2
57.20407	0.2
58.27736	0.1
63.11251	0.2
64.76709	0.1
69.03432	0.2
69.54912	0.1
70.75975	0.3
70.84175	0.1
71.04965	0.2
77.03930	0.4
84.04495	0.6
84.08132	0.9
87.83926	0.1
95.04975	1.9
102.04683	0.4
103.05469	12.2
105.04514	0.4
112.07600	0.7
128.04984	1.8
130.06531	100.0
131.06859	1.5
146.06024	1.0
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
51.02372	0.2
53.03950	1.2
63.81884	0.2
69.03422	0.2
70.75921	0.5
74.09729	0.2
77.03931	0.5
83.77472	0.2
84.04504	0.6
84.08135	0.8
84.83950	0.2
95.04964	2.2
102.04669	0.6
103.05473	12.3
104.05788	0.2
105.04506	0.6
112.07613	0.6
127.33228	0.2
128.04964	2.0
130.06531	100.0
130.15964	0.2
131.06892	1.2
146.06032	1.3
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	Unknow
Peak:m/z	Relative Intensity
51.02373	0.2
53.03952	1.5
56.05027	0.6
57.07071	0.9
58.49961	0.2
62.65267	0.2
69.03422	1.3
71.05755	0.2
71.31381	0.4
74.09740	0.3
77.03934	0.4
84.04507	6.3
84.08149	4.9
84.08521	0.1
91.05500	0.2
95.04966	1.9
102.04704	0.4
103.05477	12.2
105.04516	0.7
108.97762	0.2
112.07619	3.1
124.63995	0.2
128.04976	1.8
130.06535	100.0
130.15936	0.7
131.06870	1.7
146.06021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03954	1.3
56.20677	0.2
69.52354	1.6
69.52749	0.5
71.04981	0.7
72.49908	0.2
75.92075	0.2
77.03930	0.5
79.25414	0.2
84.04504	1.2
84.08156	0.3
87.92260	0.2
95.04964	1.7
97.07987	0.2
98.21091	0.9
102.04689	0.4
103.05472	10.9
105.04469	0.4
112.07590	0.3
114.40300	0.2
121.63412	0.2
128.04962	1.7
130.06531	100.0
130.37531	0.2
131.06831	1.4
146.06030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0652
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03954	2.3
69.56731	0.9
69.57137	1.5
73.43601	0.3
77.03915	0.8
84.85836	0.4
95.04992	2.4
98.99432	0.4
102.04679	0.5
103.05468	11.1
105.04513	0.6
125.70097	0.3
128.04974	2.1
130.06526	100.0
131.06851	1.6
144.46046	0.4
146.06006	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
51.02367	0.3
53.03953	1.2
56.91837	0.2
58.25394	0.2
61.70765	0.2
71.11056	0.3
77.03915	0.5
95.04967	2.3
102.04683	0.3
103.05471	13.1
105.04519	0.5
127.16506	0.2
128.04982	2.2
130.06531	100.0
131.06870	1.5
146.05994	1.3
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	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
53.00610	0.2
53.03952	1.5
56.69988	0.2
67.05485	0.2
68.05029	0.3
69.03432	0.6
70.76359	0.5
70.99580	2.4
77.03931	0.6
84.04510	2.1
84.08129	0.9
85.01118	0.2
87.02691	1.5
95.04957	1.9
96.04506	0.3
102.04681	0.5
102.77629	0.2
103.05473	12.2
105.04507	0.5
112.07613	2.0
128.04979	1.8
130.06531	100.0
130.21729	0.2
131.06883	1.8
146.06023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03947	3.7
55.01867	0.3
55.18761	0.2
56.96567	0.2
57.03434	0.3
58.58091	0.2
67.05487	0.2
69.92619	0.3
69.93027	0.6
70.03763	0.4
72.08152	0.5
77.03924	0.8
80.71454	0.2
81.03418	0.2
84.04499	0.6
85.02871	0.3
85.04842	1.7
85.08480	0.9
86.09716	0.8
90.90398	0.2
91.05492	1.3
95.04972	4.8
95.05557	0.4
98.18437	0.2
98.20954	0.4
102.04677	1.1
103.05470	100.0
104.05799	2.3
105.04507	1.4
113.07250	0.3
113.07945	2.1
131.04933	10.1
131.06882	4.4
131.08591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
53.03954	3.6
54.04280	0.2
55.01876	0.3
57.03427	0.2
58.07430	0.2
60.05653	1.4
61.16987	0.2
69.03454	0.5
69.07066	0.5
69.45350	1.8
70.03770	0.8
70.99577	0.3
71.04972	0.4
72.05321	0.4
72.08161	5.0
77.03940	0.8
78.23829	0.2
81.03422	0.5
81.99637	0.3
82.35086	0.2
84.04510	1.0
84.08157	0.4
85.02937	0.5
85.04833	3.3
85.08462	1.2
86.00645	0.3
86.09707	3.4
91.05489	4.1
95.04972	5.3
97.07653	0.4
98.20927	0.8
102.04706	1.1
103.05471	100.0
104.05070	0.5
104.05785	3.1
105.04504	1.5
110.13370	0.2
113.07963	1.9
114.10326	0.6
114.83356	0.2
115.05475	0.2
116.06262	0.9
117.05751	0.6
129.06975	0.4
130.06503	0.5
131.03444	0.5
131.04930	12.8
131.06181	0.5
131.06877	11.7
131.08440	3.3
131.16251	0.4
132.04434	0.5
132.08080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
53.03946	0.9
56.96571	0.4
57.49183	0.2
58.99864	0.2
68.05026	0.3
69.74311	1.3
75.74117	0.2
78.03458	2.5
78.85029	0.2
79.04220	0.2
80.05019	41.5
82.01448	2.9
90.88261	0.2
95.04939	0.3
95.06108	0.6
96.04497	11.3
98.21513	0.4
98.97588	0.3
100.02486	11.0
101.00883	3.6
101.02558	0.4
105.04517	0.4
106.02930	2.6
118.03528	5.1
119.01926	13.4
123.05554	100.0
124.03957	2.2
124.05914	0.6
137.02954	4.1
137.03979	0.3
142.03473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03945	0.8
53.48630	0.3
58.00921	0.3
68.05042	0.3
70.52837	0.3
70.53217	0.9
78.03452	11.7
78.03906	0.6
80.05017	39.5
82.07449	0.3
95.04946	0.3
96.04491	12.4
98.21263	0.4
100.02486	1.2
101.00867	0.6
105.04523	0.5
106.02917	22.9
113.08467	0.3
115.02497	0.3
118.03510	0.8
119.01929	2.4
123.05551	100.0
124.03952	2.3
124.05888	1.0
137.02951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02370	1.2
53.03954	8.4
55.01861	2.9
55.05258	1.4
55.05512	21.3
57.07073	2.0
65.03935	4.8
67.05505	85.7
68.05811	0.9
69.03413	2.2
69.07079	1.0
69.87661	3.6
77.03922	2.2
78.03450	2.2
79.05497	17.7
80.05021	45.0
80.06258	2.4
81.03425	2.6
81.05359	1.0
81.05787	3.1
81.07059	38.8
82.01446	1.2
82.06561	1.4
91.05483	3.6
93.07050	15.7
94.06545	1.1
95.04351	1.4
95.04973	41.3
95.08608	88.8
96.04491	18.1
96.05135	1.3
96.05344	0.8
96.08126	3.5
96.08980	1.0
98.20706	0.8
98.21253	1.8
100.02493	8.2
103.05472	0.9
105.03388	3.3
105.04533	4.0
105.07025	9.2
106.02926	4.1
106.06563	1.1
107.04960	5.5
108.05743	25.2
108.06498	1.2
112.03967	3.7
118.03515	4.2
118.26717	0.7
119.01900	2.3
121.06492	3.4
123.04447	25.3
123.05554	100.0
123.08067	60.4
123.09059	1.7
123.10915	1.2
123.11700	10.9
124.03957	19.7
124.04754	0.7
124.05910	1.7
124.07613	8.1
124.08439	1.4
140.03371	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02369	0.6
51.45337	0.4
53.03950	4.2
55.01867	1.3
55.05511	5.4
57.03421	0.6
65.03951	1.9
66.04739	0.6
67.05506	23.2
68.05020	0.9
69.03411	1.2
70.06591	0.4
71.47491	0.7
78.03452	1.5
79.05494	6.7
80.05019	42.7
81.03418	7.8
81.05360	1.1
81.07058	19.0
82.01453	1.0
82.41608	0.4
91.05470	1.7
93.07050	5.1
94.04187	5.3
95.04971	24.5
95.08612	15.7
96.04492	18.9
98.20894	0.4
100.02483	9.9
102.08144	0.9
103.05452	0.8
105.04506	1.3
105.07039	3.8
106.02915	2.9
107.04937	0.7
108.05742	3.7
112.03981	4.7
118.03524	7.7
119.01929	1.4
123.04531	4.7
123.05555	100.0
123.08064	65.1
123.09048	1.1
123.11675	3.6
124.03955	16.4
124.05896	1.2
124.07598	0.5
124.08417	1.0
137.02904	0.7
137.11836	0.4
140.03439	2.3
141.05031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.05495	4.1
56.06604	0.9
56.75763	1.1
57.07072	5.8
62.17918	1.1
67.05503	15.7
68.05021	1.2
69.07050	2.7
71.59091	2.1
79.05491	16.1
80.05016	25.4
81.07056	100.0
85.83097	1.2
93.07035	1.6
95.04965	5.5
95.08604	14.0
96.04488	13.7
100.02473	2.3
105.07061	1.9
106.02949	1.2
111.14891	1.1
112.03943	5.2
118.03518	2.4
121.10130	1.4
123.04599	2.1
123.05547	54.1
123.08078	10.0
123.09064	5.3
123.11707	25.7
124.03942	12.6
124.07587	1.0
140.03447	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74839	0.2
61.14850	0.2
69.66654	1.6
77.43210	0.2
82.01455	0.4
82.99847	1.6
83.01534	0.6
84.81030	0.2
98.21249	0.7
100.02482	0.9
101.00883	24.5
101.02552	1.9
102.00961	0.6
118.03535	0.7
119.01923	100.0
120.02000	1.5
120.03257	0.4
121.02314	0.5
124.02431	0.4
128.38107	0.2
129.96107	0.2
133.03468	1.2
135.64726	0.2
137.02959	28.7
137.35709	0.2
138.03058	0.5
142.03491	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.3
58.99861	1.3
64.41108	0.3
70.33277	1.0
70.99863	1.7
77.00904	1.3
79.03760	0.5
80.05048	1.4
80.05420	0.3
81.05345	1.3
82.01431	0.5
82.99841	1.4
83.01533	1.0
89.00899	0.8
95.01929	0.5
96.04501	1.7
96.47942	0.3
97.04807	0.4
98.21077	0.5
100.02486	1.5
101.00882	25.2
101.02544	3.9
102.00967	0.6
102.02237	0.9
107.03273	0.6
108.65572	0.3
118.03526	0.8
119.01923	100.0
120.01998	2.3
120.03253	0.7
121.01610	0.3
121.02405	0.4
124.02511	0.5
124.03958	7.0
124.05016	0.4
124.05914	4.2
133.03433	1.4
137.02959	30.5
138.03090	0.8
142.03503	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
56.96590	0.2
58.99862	0.4
60.08431	0.2
71.27804	0.4
80.05041	0.2
81.05345	0.2
82.01439	0.3
82.99829	1.8
83.01503	0.4
89.00882	0.3
98.21135	0.3
100.02491	1.1
101.00883	24.4
101.02552	1.7
102.00934	0.2
102.02235	0.4
118.03519	0.5
119.01921	100.0
120.02005	1.6
121.02364	0.4
124.02441	0.5
124.03968	1.1
124.05915	0.8
133.03458	1.2
137.02957	28.4
138.03055	0.6
142.03491	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.5
52.94949	1.3
53.03951	11.8
55.05509	10.5
57.02717	1.3
65.03940	9.3
67.05509	36.9
72.75166	1.3
77.03935	3.1
79.05499	96.9
80.05840	1.4
80.06283	1.6
81.07075	1.9
90.66003	1.3
90.81516	1.3
91.04962	2.6
91.05489	37.9
93.04538	3.1
93.07051	100.0
94.06583	2.3
94.07376	2.7
95.04966	14.4
98.20768	5.3
98.21493	3.6
103.05456	14.0
104.04985	1.4
104.05813	3.2
105.04514	3.0
105.07037	53.6
106.07815	4.4
119.08611	9.3
121.02893	10.7
121.03983	5.8
121.04795	2.0
121.06548	12.8
121.07626	4.6
121.08434	3.8
121.10147	58.3
122.06033	6.2
122.09713	2.4
123.08078	4.7
133.07643	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.47824	0.7
53.03946	11.3
55.01852	1.0
55.05513	1.8
58.99578	0.9
59.53566	0.9
61.23980	0.9
65.03924	4.1
67.05502	3.0
69.24519	9.5
79.05493	43.7
81.07049	1.1
91.04898	0.9
91.05479	26.8
93.07050	34.5
94.06610	1.0
95.04969	12.8
98.21516	1.9
103.05463	20.6
104.05771	2.1
105.04526	3.1
105.07030	100.0
106.07883	6.5
107.70215	0.9
111.04450	1.2
114.24638	1.0
119.08576	16.8
121.02859	6.6
121.03989	2.4
121.06524	18.0
121.10144	62.0
122.06054	2.4
123.08073	15.3
133.07614	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01591	1.0
50.93206	1.0
51.02379	1.5
53.03949	15.5
54.21918	0.9
55.01860	3.0
55.05513	5.5
63.93486	1.0
65.03946	11.1
65.96895	1.0
67.05508	7.9
71.57848	1.4
71.58221	1.5
77.03920	1.7
79.05495	62.6
80.93148	1.1
81.03417	2.5
81.07059	3.1
91.05485	44.3
93.07050	68.8
94.06560	2.4
95.04977	24.1
98.20961	1.0
103.05466	26.8
103.25125	0.9
104.05811	2.7
105.04530	8.0
105.07033	100.0
106.07864	7.3
111.04461	2.4
112.59534	0.9
119.08585	17.5
121.02885	11.5
121.03941	6.2
121.06520	35.9
121.07514	2.0
121.08428	4.2
121.10149	52.8
122.06002	5.4
122.09691	1.6
123.08065	10.9
126.83665	1.0
133.07613	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37416	2.3
56.32859	2.0
57.03412	2.7
58.06568	2.1
70.71355	6.1
72.08939	1.9
81.03391	2.1
82.01446	29.0
100.02483	100.0
101.00880	12.6
101.02557	2.2
118.03527	49.2
119.01925	50.2
129.26161	1.9
131.01862	2.1
137.02971	16.8
142.03490	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03940	1.5
55.01871	0.9
56.96566	0.8
57.03433	1.7
58.99861	1.3
61.02916	0.9
68.05031	0.6
68.59023	0.4
69.03426	1.5
69.97333	1.9
70.32227	0.4
70.99870	0.6
73.02916	0.9
77.00903	1.2
78.03457	9.8
78.52972	0.7
79.02180	0.4
79.03038	0.4
79.51945	0.4
80.05020	41.1
81.03410	0.7
81.05379	0.4
81.07060	0.5
82.01448	15.1
82.99835	0.7
84.08128	0.4
85.02916	1.2
87.92583	0.4
88.02708	1.3
90.52955	0.4
95.04984	2.5
96.04496	13.5
97.02898	1.1
98.20935	0.7
98.97585	0.8
100.02485	67.2
101.00882	8.1
101.02551	1.8
102.02328	0.6
105.04517	1.0
106.02917	17.2
107.03291	0.5
111.02922	1.1
113.00848	0.5
114.04028	0.9
115.02400	0.5
118.03526	35.6
119.01926	37.0
119.03655	1.7
120.03431	0.4
121.01649	0.5
123.05556	100.0
124.03968	3.1
124.05907	1.2
130.33597	0.4
131.01915	2.6
132.02029	0.5
133.03456	1.2
136.04599	0.8
137.02959	10.5
141.05098	0.6
142.03488	2.9
144.03333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37416	2.3
56.32859	2.0
57.03412	2.7
58.06568	2.1
70.71355	6.1
72.08939	1.9
81.03391	2.1
82.01446	29.0
100.02483	100.0
101.00880	12.6
101.02557	2.2
118.03527	49.2
119.01925	50.2
129.26161	1.9
131.01862	2.1
137.02971	16.8
142.03490	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01873	1.5
56.96569	1.1
57.03439	3.5
58.99857	2.7
59.99961	0.6
61.02924	1.6
69.03426	3.5
70.07176	3.4
70.99876	1.1
73.02906	2.7
77.00909	2.0
78.03455	11.7
78.52937	1.6
80.05017	42.7
81.01887	1.3
81.03416	1.5
82.01445	21.6
85.02885	2.0
86.52689	1.4
88.02675	2.1
89.00892	1.1
93.01935	1.4
95.04986	1.4
96.02400	1.0
96.04495	14.2
97.02868	2.3
98.21097	2.2
98.52702	1.1
100.02484	84.9
101.00879	11.5
101.02578	2.7
102.02375	2.0
106.02919	21.0
113.00838	2.0
115.02439	1.6
118.03523	41.2
119.01929	37.3
119.03640	1.4
120.02026	1.7
121.01680	1.0
123.05553	100.0
124.02512	1.2
124.03935	4.3
124.05900	1.3
131.01904	4.6
133.03487	1.4
136.33232	0.7
137.02951	9.2
141.05028	1.6
142.03506	4.4
143.01944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
56.96558	2.1
58.53061	0.8
67.05492	1.8
68.05002	0.8
69.03426	0.6
71.15096	1.5
78.03448	2.6
79.05486	1.3
80.05019	42.1
81.07053	2.6
82.01426	3.2
95.04971	6.8
95.06071	0.8
96.04493	14.9
98.03162	0.6
100.01845	1.3
100.02476	16.6
101.00881	4.7
106.02913	2.9
112.07568	0.7
116.98650	0.8
118.03522	10.6
119.01918	25.5
123.05550	100.0
124.03962	4.5
124.05932	0.8
133.03450	0.9
137.02951	8.8
142.03537	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Picolinamide
Peak:m/z	Relative Intensity
50.01588	0.2
51.02366	0.2
53.03943	1.5
53.11757	0.2
55.01868	0.5
56.96561	1.2
57.03431	0.7
57.39397	0.2
57.84291	0.2
58.99868	0.7
61.02927	0.3
67.05505	0.3
68.05038	0.3
69.03439	0.4
70.92673	0.2
70.92986	0.2
70.99861	0.2
72.53002	0.2
73.02940	0.3
77.00869	0.6
78.03454	10.7
78.52955	0.3
79.04215	0.2
79.51929	0.2
80.05016	38.5
81.03405	0.5
81.05363	0.3
82.01445	7.8
82.99823	0.5
83.01547	0.3
88.02691	0.3
89.00896	0.3
95.04971	10.5
95.06031	0.4
96.04491	12.7
98.21307	0.3
98.52696	0.3
98.97581	0.9
100.02480	31.5
101.00880	7.5
101.02582	0.8
102.02328	0.3
103.00582	0.2
103.02431	0.3
105.04534	1.0
106.02913	21.0
107.03271	0.2
111.02925	0.7
115.02453	0.4
116.98644	0.6
118.03521	15.6
119.01919	32.3
120.73363	0.2
123.05547	100.0
124.03949	4.6
124.05911	1.1
131.01904	0.8
132.05054	0.3
133.03465	0.7
136.04523	0.2
137.02954	10.4
142.03484	2.2
143.01996	0.3
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
51.02384	2.4
53.03948	16.0
55.01861	3.1
55.05516	12.1
59.65030	1.8
65.03938	12.4
67.05508	37.6
71.57569	2.1
77.03944	2.6
79.05497	94.5
80.05032	2.4
81.07017	2.2
88.70842	2.0
91.04968	1.8
91.05481	34.7
93.04514	2.9
93.07050	100.0
94.06551	3.8
94.07367	3.1
95.04961	20.7
98.21033	2.1
100.62927	1.9
103.05473	20.0
104.05807	3.3
105.04536	4.8
105.07038	82.0
106.07864	3.5
111.04510	2.0
118.06529	2.2
119.08562	12.3
121.02895	15.0
121.03959	8.9
121.05096	2.0
121.06545	19.5
121.07666	4.4
121.08434	4.9
121.10147	73.0
122.02468	2.4
122.06032	7.1
122.09694	3.7
123.08063	8.6
130.80168	2.0
133.07635	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	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
53.04170	0.8
55.01875	2.1
55.05506	1.3
62.39187	0.9
63.50516	0.7
65.03945	70.4
66.04273	0.7
67.05527	0.8
67.33009	0.7
68.05022	2.6
69.46832	2.7
69.47253	2.7
70.06597	18.9
70.56769	1.0
79.05489	1.2
84.08149	1.8
85.01134	1.3
91.05469	3.5
91.08920	2.9
91.30955	0.7
93.03410	12.6
93.07044	4.6
94.07381	0.9
95.05013	1.4
96.04517	1.0
98.03675	4.5
98.21144	2.4
102.03722	0.9
103.05476	2.7
104.05813	3.4
105.07035	2.1
108.09199	0.7
111.04446	13.8
112.02197	1.8
112.11265	2.8
121.02873	100.0
121.03972	19.1
121.06493	5.4
121.07670	1.4
121.08416	4.3
121.10139	1.1
122.03199	1.4
139.12358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02399	1.0
53.03944	8.1
55.01881	1.2
55.05512	1.2
56.89270	0.8
62.06364	0.7
65.03937	3.4
67.05512	1.4
70.07177	0.6
71.15428	0.9
77.03925	1.6
79.05493	40.4
81.03422	1.7
84.98604	0.6
91.05479	17.4
93.07041	20.8
94.06583	0.8
95.04971	11.2
103.05474	17.8
104.05802	2.7
105.04506	2.6
105.07032	100.0
106.07837	7.0
107.04961	10.3
111.04383	0.8
119.08578	12.9
121.02865	3.8
121.03957	1.1
121.06512	15.8
121.07427	1.3
121.07706	1.1
121.08445	2.5
121.10142	50.7
122.05999	0.7
122.07271	2.5
122.10519	0.9
123.08064	12.0
123.24033	0.7
133.07617	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.85579	0.3
51.02388	0.9
53.03945	5.5
55.01867	0.7
55.05500	1.2
55.71836	0.4
65.03935	3.0
67.05502	1.0
70.45874	1.1
77.03927	1.3
79.05490	36.3
81.03394	0.6
81.07056	0.8
91.04886	0.5
91.05474	14.0
93.07045	18.7
94.06555	0.7
95.04964	8.8
98.21259	0.6
101.08208	0.3
103.05468	18.4
104.05816	1.0
105.04560	2.0
105.07027	100.0
106.07854	6.3
111.04467	0.6
113.89224	0.3
119.08577	14.7
120.05695	0.9
120.08944	0.5
121.02888	1.9
121.03971	1.0
121.06522	3.8
121.08393	1.3
121.10139	53.8
122.06008	1.2
122.09689	0.5
122.10487	1.1
123.08061	12.2
133.07614	7.0
134.34727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.41204	0.7
53.03936	2.5
63.06277	0.9
65.03938	8.5
71.28064	1.8
73.22343	0.8
77.03913	1.0
78.04687	1.2
79.05500	7.5
82.49941	1.1
91.05483	100.0
93.07030	4.4
95.04973	3.1
98.77510	0.8
103.05468	11.3
104.06253	9.7
105.04497	1.8
109.06560	1.0
115.05437	4.9
117.07015	18.3
119.04951	9.2
119.08583	95.4
120.04507	0.9
120.08900	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03953	3.6
56.04827	0.7
56.05040	7.1
65.03940	4.0
71.58250	0.4
74.06084	8.1
77.03906	0.8
78.93134	1.1
79.05487	3.4
80.05021	0.8
84.04462	0.5
84.27013	0.5
89.74921	0.6
91.05481	11.7
92.05010	4.5
92.05811	4.7
93.07046	18.9
94.06588	0.6
95.04967	5.2
96.94144	1.0
102.04675	1.0
102.05513	1.1
103.05466	83.7
104.05785	1.3
105.04520	1.2
105.07031	2.0
110.06070	0.8
112.16135	0.5
118.06543	2.1
118.07324	1.2
118.46516	0.5
119.07317	0.8
120.04473	4.4
120.05591	6.8
120.08108	100.0
121.02863	1.0
121.03983	0.6
121.06523	0.8
121.08456	1.1
121.10130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.0
53.03960	3.7
56.05046	3.6
65.03947	1.5
70.95164	0.5
71.26374	0.9
74.06081	4.2
77.03934	1.1
78.93096	0.9
79.05499	1.1
79.07708	0.6
79.66374	0.5
91.05480	8.1
92.05013	2.3
92.05815	2.6
93.07052	15.1
93.07624	1.0
94.06553	1.3
95.04974	4.7
99.50828	0.6
101.52892	0.6
103.05472	82.8
104.05841	0.9
104.60732	0.6
105.04510	1.2
105.07027	1.2
118.06549	1.5
120.04481	1.9
120.05597	3.4
120.08109	100.0
121.02948	0.6
121.03971	0.9
121.08431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79956	3.4
64.67439	3.9
67.05508	11.7
69.03438	8.0
70.75402	7.0
70.75751	5.1
74.25314	3.4
79.32306	3.7
80.02979	4.5
88.63720	3.9
91.05505	13.1
93.07052	5.0
100.02483	15.6
101.00868	26.4
103.02458	11.2
107.05276	20.4
116.05777	10.6
118.03535	6.0
119.01926	100.0
119.08631	4.2
121.03490	11.4
129.03979	5.3
137.02939	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02366	0.6
53.03942	1.8
55.21294	0.5
58.12495	0.4
61.49094	0.4
65.03940	10.3
66.04272	0.4
70.49074	1.0
70.49465	0.8
75.08354	0.6
78.04708	0.9
79.05494	5.6
91.05482	100.0
92.05814	1.4
93.07059	3.5
95.04961	2.1
102.04655	0.7
103.05470	9.0
104.05602	0.6
104.06253	8.3
105.04523	0.8
109.06564	0.8
115.05444	3.6
117.07022	15.0
117.07850	0.9
119.04092	0.9
119.04947	17.5
119.08580	75.7
120.08105	0.9
120.08891	1.0
121.06473	0.4
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	Unknow
Peak:m/z	Relative Intensity
53.03963	1.1
56.05030	0.6
60.85808	0.5
65.03941	19.1
70.37701	1.3
70.38101	0.9
70.83153	0.4
78.16829	0.4
78.95528	0.5
80.94032	0.5
91.05480	100.0
92.05821	1.9
95.04963	0.6
98.21410	0.8
103.05466	2.6
111.04511	0.6
119.04944	35.3
119.06872	1.6
119.08582	4.3
120.08100	1.9
136.54599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03941	3.3
54.01440	0.9
59.83090	1.0
65.03940	4.4
67.12770	0.8
76.38723	0.9
79.05497	8.3
91.05482	98.0
93.07041	6.6
95.04982	4.1
98.20778	2.3
98.21465	3.1
103.05466	15.0
104.06250	14.6
109.06545	0.9
115.05473	6.4
117.07018	36.0
119.06103	2.9
119.08582	100.0
120.08913	1.8
121.06535	1.2
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
51.18464	0.6
53.03959	0.7
55.81420	0.6
68.26202	0.6
71.11755	1.1
72.08152	1.3
76.49297	0.6
76.93375	0.8
81.10967	0.6
86.80554	0.6
91.05483	38.8
95.04981	1.3
117.05766	5.2
118.06545	100.0
119.06934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
51.93184	0.3
53.03951	0.4
55.05511	19.3
56.05022	0.3
57.05813	1.3
58.06590	0.5
59.07386	0.3
68.76057	0.2
70.06586	0.9
71.09281	0.6
72.08156	100.0
72.65929	0.2
73.08472	0.5
81.64865	0.2
84.44350	0.2
85.18336	0.2
118.08657	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	116.0709
Annotation	Proline
Peak:m/z	Relative Intensity
52.87561	0.1
53.23755	0.1
56.05047	0.1
58.19821	0.1
68.05031	0.5
68.29689	0.1
70.06590	100.0
70.62132	0.4
71.06914	0.7
78.99570	0.1
98.21183	0.3
109.09443	0.1
111.29031	0.1
116.07088	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
53.03942	0.8
54.14321	0.6
55.05510	3.8
56.96551	0.7
59.93106	1.0
61.53360	0.7
65.03952	1.5
70.06601	1.5
70.88235	1.2
70.88569	0.9
72.08154	20.8
72.94071	0.6
76.93367	9.0
91.05481	45.8
94.94409	2.8
95.04971	0.8
96.09943	0.7
117.05759	5.5
117.95971	1.0
118.06543	100.0
119.04939	1.9
119.06100	1.0
119.06911	1.2
127.11872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
51.02386	0.9
53.03946	4.0
54.40789	0.5
55.05512	1.2
58.06569	0.6
59.07375	0.8
65.03944	2.4
69.97281	1.0
69.97668	2.3
70.06592	0.7
72.08158	9.8
75.45189	0.5
76.93378	3.6
90.53913	0.5
91.05486	50.0
92.05827	0.8
93.50381	0.5
94.94399	0.7
95.04976	5.6
98.20778	1.0
98.21432	1.1
105.04510	1.8
109.06540	0.7
116.05803	1.0
117.05779	5.3
117.07022	2.1
117.95992	0.7
118.06548	100.0
119.04980	3.4
119.06873	1.0
119.08595	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	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
55.05517	8.7
57.03436	3.9
57.07079	72.8
57.70901	1.7
63.53107	1.4
65.03944	10.3
67.05508	100.0
69.03434	2.5
69.07079	3.3
69.37080	13.1
70.02959	5.3
71.04994	14.3
71.94093	3.6
72.00134	1.3
72.93793	20.3
85.06549	30.1
86.06104	1.5
87.75656	1.4
90.94831	3.8
95.04972	37.4
96.00860	3.5
113.02370	20.1
113.03488	5.6
113.06010	24.9
114.09152	3.1
128.64542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
88.47395	0.3
98.21123	1.6
118.05897	0.3
130.84920	0.3
170.73090	0.3
174.54085	0.3
186.32947	0.4
193.37917	0.3
389.33972	0.3
397.13220	1.0
399.14163	0.7
410.13882	1.5
411.14517	4.0
412.15341	2.7
413.16104	1.6
414.16562	0.5
423.14929	0.9
424.10773	0.7
424.16235	1.8
425.11572	0.5
425.16336	6.7
426.17017	4.7
427.17520	1.8
428.18356	1.2
437.16165	1.0
438.12137	2.2
439.13565	10.4
440.19025	4.6
441.19321	24.5
442.19543	2.6
451.13452	0.7
452.14072	2.5
453.15298	12.6
454.16006	3.3
455.21396	0.4
456.18170	0.4
457.14648	0.5
463.14020	0.6
465.16101	0.6
466.16574	0.9
467.17227	20.5
468.17838	11.5
469.18796	9.0
470.19141	0.9
471.16907	0.6
478.15567	0.4
480.14084	0.7
481.14780	12.4
482.15216	3.1
483.15994	0.9
485.18335	1.0
494.18842	0.4
495.16351	9.4
496.17111	16.7
497.17700	2.9
498.18765	0.4
499.20520	0.6
509.18304	2.2
510.18768	0.4
512.20764	0.8
514.22736	1.7
523.19965	0.8
527.23969	1.7
528.23730	0.5
537.19244	0.7
538.18622	0.4
539.19006	0.5
551.19391	0.5
555.22406	21.9
556.22675	2.4
568.19049	0.5
583.21924	67.0
584.22144	7.7
585.21808	0.6
586.21899	0.8
587.25031	1.1
611.21252	2.1
614.23358	0.7
615.24512	5.3
642.23285	8.7
643.23920	100.0
644.24152	9.1
854.60913	0.5
974.71301	0.4
1027.21521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01913	0.4
53.03950	2.4
55.01877	0.6
55.05515	14.6
56.05041	1.4
56.96285	0.8
56.96568	15.3
57.03434	0.4
58.06607	2.5
59.09977	0.4
59.52203	1.3
67.05505	0.5
68.05041	0.6
68.99787	0.8
69.03438	2.8
69.04561	1.1
69.07059	0.4
69.97198	1.7
70.02957	1.5
70.06598	9.7
70.13374	0.4
70.94267	0.6
70.95860	0.8
70.98112	0.7
71.02994	2.0
71.94099	2.7
71.95268	3.0
74.97631	0.6
75.01036	0.6
75.04484	0.7
80.03517	0.5
80.05023	3.8
81.99120	0.4
82.01463	1.0
83.08615	0.5
84.01578	0.9
84.08147	69.4
85.01113	0.5
85.08478	0.4
86.51861	0.6
90.99636	5.2
91.02363	0.4
91.07110	0.4
93.05801	0.5
94.01169	0.6
94.04073	0.7
95.02463	4.4
95.06095	0.9
95.52341	0.5
96.00853	0.7
96.04530	0.5
97.99148	0.3
98.20934	0.7
98.21497	0.4
98.97593	0.7
100.00151	2.8
100.02502	3.0
101.52321	1.8
102.00044	2.8
102.02225	0.5
103.01410	0.5
103.02493	0.4
109.00700	0.5
109.51194	3.8
110.01337	0.4
110.52862	0.8
111.00552	7.2
112.02211	2.3
112.03978	0.4
112.05097	14.0
112.07630	4.1
112.11247	100.0
113.02358	0.5
113.03501	2.2
113.11588	1.0
118.03541	1.2
118.51713	4.7
118.94796	0.5
119.01880	0.5
119.91952	0.5
120.01085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0509
Annotation	Cytosine
Peak:m/z	Relative Intensity
51.10263	0.2
55.01884	0.5
55.05502	0.8
56.96568	5.4
59.13819	0.3
65.52186	0.3
67.02979	1.1
68.01384	0.9
69.03425	0.7
69.04554	9.0
70.02959	2.9
70.06593	2.8
70.66914	0.7
70.98109	0.8
71.02975	0.3
71.94094	0.9
71.95265	0.7
82.01445	0.6
84.01558	0.4
84.04478	0.4
84.07684	0.5
84.08146	5.9
85.18343	0.3
89.00754	0.3
94.04057	3.4
95.02457	27.0
95.06091	0.7
96.00867	2.4
100.02487	1.4
109.02872	0.3
111.00572	0.3
112.05093	100.0
112.07610	1.6
112.11244	7.9
113.03504	4.1
113.05407	0.6
118.03514	0.7
119.01958	0.4
130.03435	0.3
131.01915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.05257	1.8
55.05515	31.1
55.19101	1.0
58.06598	4.7
65.92974	1.1
67.05505	2.9
68.05033	3.4
69.07072	100.0
69.58583	8.2
70.06586	4.9
82.05305	3.9
83.04985	1.4
83.06094	5.1
88.00485	2.4
97.01009	2.2
98.21151	4.4
111.04447	2.7
111.05575	8.4
111.06408	4.0
111.09221	10.2
112.03999	1.4
112.07634	2.1
115.96436	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	110.0716
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
53.03939	1.9
54.04288	1.2
55.01871	2.1
55.05506	2.9
56.04782	1.2
56.05038	19.1
56.96569	11.2
57.03436	1.1
63.64491	0.9
65.03932	4.4
67.04252	4.8
67.05494	2.5
68.05012	2.6
69.03430	1.3
69.04536	1.1
70.06570	1.2
71.56417	0.9
77.00807	1.6
80.05016	2.8
81.04545	7.1
82.01431	1.7
82.02943	1.0
82.03751	2.7
82.05325	8.2
82.06104	1.3
82.06581	15.9
83.05019	7.1
83.06104	100.0
84.01563	2.7
84.08146	1.5
86.52703	1.5
86.99327	1.1
87.02454	8.2
87.04266	1.1
87.53497	1.3
92.01293	1.0
92.05016	4.2
93.04529	58.9
96.02982	1.7
96.53996	1.2
98.21320	0.9
98.54490	1.0
98.97631	2.0
100.02503	7.3
105.00371	2.5
108.04813	2.2
110.02398	1.1
110.06036	59.2
110.07159	86.9
111.04445	5.4
111.05589	5.3
116.98611	2.0
118.03515	4.8
119.01933	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02370	0.6
52.88236	0.5
53.03947	8.2
55.01891	0.7
55.05513	11.5
56.58912	0.6
62.99074	1.0
63.01769	0.7
64.98649	5.0
65.03944	5.1
67.05504	100.0
69.07067	5.1
70.48454	1.4
70.48782	0.8
79.05490	12.9
80.06287	1.2
81.03412	9.8
81.07056	38.4
82.06587	0.6
87.00467	2.7
91.05481	2.0
94.04170	2.7
94.07846	1.1
105.07002	0.8
107.08586	4.6
109.02892	3.0
109.06519	20.5
109.07648	1.3
109.10155	43.8
110.06047	5.4
113.96359	1.2
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
51.02390	0.5
53.03699	0.5
53.03949	7.9
55.01876	6.0
55.05516	3.8
61.31975	0.3
64.98655	3.6
65.03947	4.7
66.04713	1.1
67.05508	30.4
67.93571	0.5
69.07066	1.7
79.05495	41.8
81.03423	5.2
81.07059	39.4
81.07427	0.7
82.06605	0.8
82.07368	0.4
87.00483	0.8
91.05486	12.6
92.05812	0.4
94.04177	3.8
94.07834	0.6
95.04973	1.5
98.21126	2.4
105.04535	0.5
107.04970	0.9
107.08614	1.3
109.02901	1.3
109.06524	100.0
109.10156	13.6
110.06050	2.8
110.06808	0.8
111.96847	0.4
113.96427	0.7
126.79451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
76.10610	0.3
98.20905	0.5
99.69819	0.3
107.53990	0.3
109.56893	0.3
118.95550	0.4
124.99455	0.3
210.34106	0.4
357.91290	0.3
398.13641	0.4
410.13638	1.3
411.14554	2.7
412.15167	1.8
413.15985	1.8
417.25024	0.4
423.14807	0.7
424.10522	0.6
424.16022	1.9
425.11560	0.4
425.16275	5.4
426.16919	3.6
427.17447	1.3
437.12634	1.1
438.12119	2.6
439.13232	6.1
440.19150	2.8
441.19296	15.5
442.19760	2.5
451.13663	0.7
452.14206	3.0
453.15176	7.8
454.15686	2.0
456.13760	0.6
463.14264	0.6
465.15314	0.7
466.16580	0.8
467.17151	14.4
468.17761	9.2
469.18863	6.2
470.18652	1.3
477.15604	0.9
478.15973	0.8
480.15018	1.2
481.14755	9.4
482.15094	3.4
483.16525	0.6
485.18427	0.5
494.15573	0.6
495.16559	22.1
496.16971	34.0
497.17374	4.0
498.15012	0.5
499.20108	0.5
509.18646	1.5
510.18378	0.6
513.17828	1.2
514.16876	0.5
514.22693	1.0
523.19336	0.6
524.17004	0.6
525.17212	1.0
527.20129	1.1
528.19263	1.7
536.19086	1.1
537.19128	1.5
538.18781	0.6
542.21826	0.5
555.22369	11.6
556.22626	1.6
568.19373	1.3
573.23010	0.4
582.21124	0.4
583.21887	43.2
584.22095	8.0
585.21808	0.5
586.19446	0.5
599.21021	0.6
600.21527	1.1
610.21252	0.6
611.20361	1.7
614.23553	0.7
615.24713	3.2
642.23224	29.3
643.23712	100.0
644.23767	7.9
718.79443	0.5
777.89545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03925	0.1
77.73048	0.1
79.05495	1.0
81.03421	2.4
83.04991	0.8
85.02900	2.3
89.03915	8.0
91.03978	0.2
91.05509	0.2
95.04964	0.3
97.02895	1.3
99.04446	0.3
105.03368	0.2
107.04951	2.0
109.02885	1.1
111.00806	0.3
111.04449	0.5
115.03915	0.1
117.03381	6.2
119.04901	0.1
121.02874	1.3
123.02377	0.1
123.15817	0.1
127.03919	1.0
129.05467	0.2
133.02817	0.2
135.04420	13.7
136.04718	0.2
137.02335	0.3
145.02844	9.7
145.04846	0.2
146.03191	0.2
147.04317	0.5
153.01834	1.1
157.06566	0.1
161.02356	0.1
163.03905	100.0
164.04234	1.8
165.01817	0.8
177.05508	0.2
181.04958	4.5
183.02898	0.2
185.05962	0.2
186.05499	0.3
191.03421	0.1
201.05573	0.1
213.05452	0.4
231.06497	0.4
237.07729	0.1
241.04980	0.4
255.08778	0.1
258.05237	0.3
259.06018	0.2
273.07489	0.4
284.17770	0.1
287.05496	41.3
288.05814	1.3
289.07104	0.8
291.08511	0.1
299.05618	0.1
303.04880	0.7
307.08136	4.7
309.09677	0.3
325.09192	7.8
326.09528	0.2
329.06577	0.4
341.08734	0.3
353.06360	0.2
361.02316	0.2
397.09024	0.1
415.10428	0.2
431.09796	0.2
433.11349	1.7
435.12729	0.4
449.11075	0.6
453.14481	0.2
471.14804	0.2
471.21631	0.1
476.07547	0.1
487.14264	0.3
595.14679	0.1
699.28790	0.1
718.83899	0.1
797.08685	0.1
835.82629	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02382	0.7
53.03946	3.0
55.01875	0.9
57.51717	0.6
57.74246	0.7
59.96749	0.6
61.01155	1.2
61.04848	0.6
62.99077	97.3
63.99856	1.5
65.03941	12.6
67.05513	3.9
70.83253	0.9
70.83630	1.0
79.05492	26.8
80.05025	1.2
91.05481	100.0
92.06264	2.4
95.04974	4.4
100.98874	0.7
103.05457	0.6
105.04545	1.1
105.07031	27.8
106.04140	0.9
107.01638	5.7
107.04958	9.9
107.08594	33.8
108.04509	0.6
108.08118	1.6
109.06519	12.6
119.06068	6.0
119.95129	0.5
124.05201	0.8
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
50.01604	0.2
50.32264	0.2
51.02385	0.8
51.27848	0.2
51.64563	0.2
53.03950	6.1
55.01868	0.3
56.96560	0.8
62.99078	14.8
65.03942	0.3
71.57548	0.2
77.03923	1.2
79.05495	100.0
80.05826	0.9
81.03423	0.6
89.75369	0.2
91.05490	1.8
95.04971	8.9
105.04521	2.5
105.07043	0.6
107.01651	0.9
107.04956	5.5
107.08607	0.5
109.06509	0.3
113.30340	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04481	0.1
77.03907	0.1
79.05490	0.9
81.03419	2.3
83.04980	1.9
85.02901	4.0
87.04466	0.1
89.03913	7.2
90.04301	0.1
91.05463	0.1
95.04980	0.4
97.02891	0.9
99.04456	0.2
101.05951	0.1
104.14323	0.1
105.04489	0.1
107.04268	0.1
107.04955	1.5
109.02877	1.4
111.00827	0.1
111.04443	1.4
117.03377	6.4
118.03702	0.1
119.04929	0.1
121.02876	0.9
123.04424	0.2
125.02339	0.1
125.97302	0.1
127.03922	0.8
129.05476	1.0
134.03593	0.1
135.04416	13.8
136.04745	0.2
137.02361	0.2
145.02846	11.3
146.03174	0.2
147.04346	0.3
147.06528	0.3
149.05986	0.3
151.03925	0.2
153.01817	0.6
153.05490	0.1
161.05936	0.1
163.03900	100.0
164.04233	1.8
165.01787	0.3
171.04402	0.1
175.03859	0.1
177.05470	3.1
178.05798	0.1
181.04953	3.8
183.08081	0.1
185.05930	0.1
186.05487	0.3
191.03300	0.1
199.07718	0.1
201.05557	0.1
203.07076	0.1
213.05446	0.3
217.05013	0.1
223.06004	0.1
227.06880	0.1
229.04953	0.1
229.08617	0.2
231.06535	0.2
237.07693	0.4
239.09091	0.2
241.04913	0.2
245.08165	0.1
255.06294	0.1
255.08655	0.2
258.05139	0.2
262.96646	0.1
265.07077	0.1
273.07388	0.6
273.10059	0.1
275.11176	0.1
286.04681	0.1
287.05490	23.8
288.05750	0.6
289.07114	1.0
291.08585	1.0
293.12289	0.2
299.05566	0.3
300.06213	0.1
307.08121	4.0
308.08478	0.1
309.09723	2.2
311.05490	0.2
321.09558	0.1
325.09195	6.1
326.09543	0.2
329.06564	1.0
339.10678	0.2
341.09042	0.1
353.06488	0.3
379.08032	0.2
397.09073	0.7
415.10370	0.3
417.11655	0.2
433.11325	1.7
434.11664	0.1
435.12814	0.6
453.14005	0.2
471.14856	0.3
487.14273	0.2
579.16785	0.1
595.16254	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	1051.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02921	1.2
77.03936	0.1
79.05489	0.9
81.03416	2.6
83.04980	0.7
85.02899	1.5
89.03912	6.5
90.04212	0.1
91.05470	0.1
93.18357	0.1
95.04961	0.4
97.02885	1.6
99.04465	0.3
105.03362	0.1
107.04951	1.7
109.02871	1.4
111.00838	0.2
111.04448	0.6
115.03925	0.6
117.03376	6.0
119.04894	0.1
121.02871	1.1
122.26815	0.1
123.04430	0.2
126.41106	0.1
127.03932	0.9
129.05481	0.3
133.02829	0.1
133.04942	0.1
135.04413	13.9
136.04729	0.3
137.02351	0.2
139.03830	0.1
145.02843	10.3
146.03204	0.1
147.04390	0.5
151.03922	0.1
153.01813	0.9
157.06433	0.1
158.06009	0.1
163.03897	100.0
164.04242	1.4
165.01845	0.3
177.05530	0.2
181.04955	4.3
183.02954	0.1
185.05936	0.2
186.05527	0.2
209.53549	0.1
213.05499	0.4
217.04999	0.1
223.06020	0.2
231.06555	0.2
237.07748	0.1
241.04930	0.3
258.05267	0.3
259.06049	0.3
273.07547	0.2
277.07153	0.5
287.05487	32.1
288.05829	1.0
289.07144	0.7
291.08618	0.2
295.08179	1.4
299.05582	0.5
303.01923	0.1
303.04984	1.1
307.08115	4.1
308.08386	0.1
309.09772	0.3
311.05533	0.2
325.09186	6.1
329.06616	0.7
341.08936	0.2
353.06482	0.4
361.01932	0.1
365.06400	0.1
383.07593	0.3
397.09125	0.3
401.08478	0.2
415.10245	0.2
417.11383	0.1
419.09702	0.8
421.11139	0.2
433.11279	1.5
435.12817	0.3
449.10663	0.1
453.14029	0.1
471.15088	0.2
487.14404	0.3
592.08997	0.1
627.01880	0.1
1033.20239	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02382	2.0
53.03702	0.9
53.03948	14.8
60.04526	6.2
60.08156	3.1
61.08499	4.1
62.99054	0.8
63.33863	0.8
65.03929	1.6
69.63325	1.7
69.63737	3.7
70.03764	1.9
77.03918	3.6
79.05495	52.3
81.03413	1.5
87.00803	1.0
87.06353	0.9
88.04805	2.1
91.05450	0.9
95.04971	23.1
96.04483	1.0
98.20841	1.5
98.21463	1.4
103.05467	33.5
105.04518	7.6
105.07032	100.0
105.10426	1.9
105.11066	18.0
106.07384	1.0
108.50922	0.9
113.89185	0.8
118.92801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02370	1.4
52.00474	0.6
53.03950	12.5
59.99892	0.7
60.04528	5.7
60.08158	2.8
61.08508	3.8
62.35037	0.6
62.99059	0.6
65.03936	1.1
70.03759	1.3
70.93022	1.6
72.33105	0.6
77.00603	0.9
77.03924	2.7
78.29940	0.5
79.05495	49.9
81.03426	1.6
87.00834	1.0
88.03983	0.7
88.04800	1.0
95.04969	16.1
103.05471	29.3
105.03801	1.0
105.04504	5.4
105.07032	100.0
105.10474	0.6
105.11080	14.9
106.06644	0.6
106.07360	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53782	0.2
58.06596	4.5
59.07380	1.5
60.08163	48.7
69.03430	0.9
70.77616	0.4
70.77951	0.3
86.06055	0.4
87.04475	1.8
88.07616	0.3
91.58605	0.3
98.20979	0.4
104.10741	100.0
105.11076	0.5
106.40997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	4.6
59.07379	1.3
60.08165	46.3
61.29980	0.2
70.49046	0.6
74.92659	0.2
86.06084	0.3
86.09698	0.2
87.04464	1.0
92.15760	0.2
98.21167	0.4
104.10745	100.0
105.11069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	5.7
59.07386	1.5
60.08167	51.6
69.88902	0.5
69.89295	0.7
75.18648	0.2
80.02304	0.2
87.04463	0.5
104.10748	100.0
105.11053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.0
51.02388	3.7
53.03951	26.7
55.01864	1.2
55.05509	1.2
60.08164	0.7
60.95843	0.7
70.24549	2.8
77.03937	7.8
81.03421	2.7
82.74538	0.6
87.04527	0.7
89.60770	0.6
95.04974	36.7
101.89285	0.6
102.04684	4.3
103.05473	100.0
104.10732	2.0
105.04520	10.2
107.44467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45319	1.4
53.03334	1.3
56.96564	7.0
58.96154	5.0
59.96165	1.6
59.99952	1.8
60.95848	4.1
70.88955	2.7
79.01862	2.1
79.45313	1.2
82.99854	3.0
83.01513	6.0
87.39572	1.2
98.20888	1.5
100.97165	1.7
101.00256	2.2
101.00879	22.4
101.02556	22.4
104.59363	1.4
119.01927	100.0
119.03635	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
53.07029	0.4
55.01878	4.4
55.05511	2.2
56.05037	3.2
56.96566	9.1
57.03421	1.0
58.96171	0.9
58.99863	1.9
59.05011	2.5
59.52203	0.6
59.93105	0.6
59.99936	0.6
60.05709	0.3
60.95849	1.5
65.52185	0.6
67.05473	0.3
68.00248	0.7
68.02647	1.1
69.01931	0.4
69.73541	1.0
69.73956	1.2
70.98120	0.9
70.99853	1.2
71.01341	0.4
71.29315	0.4
71.95247	0.5
72.52970	0.5
73.02915	6.4
74.02458	0.6
75.01035	0.4
77.00864	3.6
78.00972	0.7
79.01855	0.8
79.51900	0.6
80.52699	0.9
81.50751	0.7
82.01453	1.1
82.99841	1.0
83.01505	2.4
83.04997	0.7
84.01160	0.9
84.04501	1.9
84.08141	2.1
84.95994	0.4
85.02911	1.5
86.52686	0.3
89.00256	0.4
89.00874	0.9
90.16522	0.3
90.99651	0.4
95.01955	0.8
95.50531	0.6
98.00764	0.9
98.01348	0.6
98.02146	0.4
98.20744	0.4
98.52733	0.6
98.97578	1.5
100.02494	5.4
101.00882	18.6
101.02544	12.4
101.05996	0.6
101.07941	0.6
102.00954	0.6
102.02241	1.9
102.05542	0.6
103.02428	0.5
107.01849	0.6
114.04008	0.5
115.01180	0.5
116.98611	0.8
118.03522	3.0
119.01921	100.0
119.03627	7.2
END